2026-06-11 | CS.LG机器学习 | 共 101 篇
[机构]信息由AI分析生成,可能存在错误,仅供参考,以论文实际显示为准
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1. 深度学习架构与训练方法 18 篇
2. 表示学习、自监督与对比学习 6 篇
3. 强化学习与序列决策 10 篇
4. 生成模型与概率建模 6 篇
5. 优化、泛化与理论分析 6 篇
6. 高效学习、压缩与部署 5 篇
7. 联邦学习、隐私与安全 2 篇
8. 鲁棒性、不确定性与可信学习 7 篇
9. 图学习与结构化数据 3 篇
10. 迁移、元学习与持续学习 1 篇
11. 数据集、基准与评测 10 篇
12. 机器学习应用 19 篇
13. 其他/综合机器学习 8 篇
1. 深度学习架构与训练方法 | 18 篇
1. Mechanical Field Networks: Structured Neural Dynamics for Multivariate Systems
机械场网络:多变量系统的结构化神经动力学
AI 总结:提出MF-Net,一种将多变量系统表示为共享场状态并通过可学习关系律更新状态的递归模型,在保持可解释结构的同时实现竞争性预测。
链接:https://arxiv.org/abs/2606.11251
机构:Xi’an Jiaotong University(西安交通大学)
作者:Xingji Cui
英文摘要:Many multivariate dynamical systems are observed only through trajectories, leaving the mechanisms governing their joint dynamics hidden. Existing approaches can impose interpretable dynamics or learn flexible state transitions, yet the resulting interaction structure is typically either specified in advance or left implicit within the learned dynamics. We introduce MF-Net, a recurrent dynamical model that represents all variables in a shared field state and updates this state through a learned relation law. Each variable carries a field component, and these components evolve jointly through a learnable mechanical transition. Here, mechanical refers to the relation-to-motion organization of the transition, where learned relations shape state-dependent flows, field responses, and motion tendencies that move the field state forward. The resulting structure is part of the rollout itself: learned relations influence how the field moves, and the same internal quantities support both forecasting and structural readout. Across known-law interaction systems, chaotic benchmarks, real neural recordings, and ecological time series, MF-Net achieves competitive short- and medium-horizon forecasting while retaining inspectable structural readout. On the 40-dimensional Lorenz--96 testbed, MF-Net achieves an eight-step $R^2$ of $0.798\pm0.018$; across five seeds, its learned relation matrix recovers the local coupling support with a local/nonlocal strength ratio of $19.80\pm1.00$ and Precision@$K$ of $1.000\pm0.000$. MF-Net provides a structure-readable dynamical modeling framework in which learned relations are trained through forward evolution and, on real data, interpreted as functional predictive couplings under appropriate observational limits.
2. Bernstein-Schur Kernels: Random Features by Sketched Modulation and Radial Randomization
Bernstein-Schur核:通过草图调制和径向随机化的随机特征
AI 总结:提出一种随机特征构造方法,用于Bernstein-Schur核类,通过草图化有限调制和随机化完全单调径向因子,实现无偏估计和算子范数界,应用于yat核族。
链接:https://arxiv.org/abs/2606.11255
机构:Azetta AI
作者:Taha Bouhsine
英文摘要:Bernstein--Schur kernels are products of a finite-feature kernel (one with an explicit finite-dimensional feature map) and a completely monotone shift-invariant kernel: nonstationary kernels that fall between the shift-invariant and dot-product templates random features usually exploit, so in general neither Bochner sampling nor polynomial sketching applies to the full kernel directly. We give one random-feature construction for the whole class that \emph{randomizes both factors: it sketches the finite modulation and randomizes the completely monotone radial factor, sampling the latter's one-dimensional Bernstein--Widder scale and then applying Gaussian random Fourier features (whose frequency is still $d$-dimensional). The feature dimension is then $Dm$, set by the sketch size $m$ and the radial-draw count $D$, free of the $O(d^2)$ size of the exact modulation feature. Keeping the modulation \emph{exact} is the analyzable limit ($m\to\infty$): there we prove unbiasedness, an exact variance for the recommended flat estimator, an expected matrix-Bernstein operator-norm bound (with a matching high-probability tail) controlled by the top eigenvalues of the kernel and modulation Gram matrices together with an intrinsic dimension rather than the crude $N\max_{ij}$ entrywise route, and a deterministic relative-spectral kernel-ridge stability result. By conditioning on the sketch, the doubly-randomized estimator inherits the same intrinsic-dimension operator-norm guarantee plus a single additive sketch term, tunable by $m$ independently of $D$. The motivating instance is the biased $yat$-kernel $k_{yat,b}(w,x)=(w^\top x+b)^2/(\|w-x\|^2+\varepsilon)$, $b\ge0$, whose family span contains the inverse-multiquadric kernel by finite differences in $b$; for it the radial mixture is the IMQ spectral sampler, and one frequency per scale is variance-optimal at a fixed radial-feature budget.
3. PermDoRA -- Understanding Adapter Interference in Language Models: Limits of Parameter-Space Geometry
PermDoRA -- 理解语言模型中的适配器干扰:参数空间几何的局限性
AI 总结:研究适配器组合中的干扰是否源于线性参数更新重叠,通过DoRA-RBAC框架和几何感知合并策略实验,发现参数空间几何不是干扰主因,而是共享非线性表示中的交互。
链接:https://arxiv.org/abs/2606.11262
机构:Independent Researcher(独立研究员)
作者:Gowtham Sivaramakrishnan, Sarvesha Kumar Kombaiah Seetha, Kishan Gupta Balaji, Santhosh Baradwaj Vaduvur Ranganathan
英文摘要: Access control in large language models (LLMs) requires modular mechanisms to enable domain-specific behavior without retraining or cross-domain interference. A common hypothesis is that interference during adapter composition arises from overlap in linear parameter updates, suggesting that enforcing orthogonality or directional independence should improve multi-domain performance. We test this hypothesis using DoRA-RBAC, a hierarchical adapter composition framework based on weight-decomposed low-rank adaptation. We compare conventional Euclidean merging with a geometry-aware Riemannian-inspired merging strategy that approximates the Frechet mean via normalized directional averaging across multiple QA benchmarks (GPQA, PubMedQA, SimpleQA, WMDP) on LLaMA-3.1-8B and Mistral-7B. Our results show that while single-domain performance matches LoRA, geometry-aware merging provides no consistent advantage over standard averaging in multi-domain settings.Diagnostic analysis further reveals that angular alignment and orthogonality of adapter updates are weak predictors of composition performance. These findings suggest that adapter interference is not governed primarily by parameter-space geometry, but is instead consistent with interactions in shared nonlinear representations.
4. RoVE: Rotary Value Embeddings Attention for Relative Position-dependent Value Pathways
RoVE: 旋转值嵌入注意力实现相对位置相关的值路径
AI 总结:提出RoVE方法,通过同时旋转键和值使值对位置敏感,将RoPE注意力转化为注意力卷积,在少样本学习、分布外困惑度和长上下文检索上优于RoPE。
链接:https://arxiv.org/abs/2606.11275
机构:AMLab University of Amsterdam(阿姆斯特丹大学AMLab); MIT CSAIL(麻省理工学院计算机科学与人工智能实验室)
作者:Alejandro García-Castellanos, Maurice Weiler, Erik J Bekkers
英文摘要:Rotary Position Embeddings (RoPE) make attention scores position-relative but leave the value pathway position-blind: the message sent by a value token is the same regardless of its distance from the query. We propose RoVE, a parameter-free modification that makes values position-sensitive by rotating them simultaneously with keys, and show that it turns RoPE attention into attentive convolution. This new perspective unifies several independent formulations of the same operation across computer vision, robotics, and modern LLM architectures. Trained 124M and 354M GPT-2 models show consistent empirical gains over RoPE on few-shot in-context learning, out-of-distribution perplexity, and long-context retrieval, with the clearest improvements on tasks that require long-range aggregation.
5. Energy-Conserved Neural Pipelines: Attenuating Error Propagation in Modular Neural Networks via Physical Conservation Constraints
能量守恒神经管道:通过物理守恒约束减弱模块化神经网络中的误差传播
AI 总结:提出在模块间强制能量守恒(特征向量L2范数不变)作为硬约束,实验证明该方法在多种噪声下显著优于基线,并具有深度不变性和理论保证。
链接:https://arxiv.org/abs/2606.11341
机构:ORION Robotics
作者:David Young, Swan Yi Htet
英文摘要:Modular neural network pipelines suffer from error compounding: noise at any module boundary propagates and potentially amplifies through subsequent modules. We introduce energy conservation as a hard physical constraint on inter-module information flow. Activation energy (the squared L2 norm of feature vectors) is enforced to be exactly preserved at every module boundary. Unlike soft energy penalties, conservation is an inviolable law: the network may redistribute energy across neurons but cannot create or destroy it. Four experiments on CIFAR-10 demonstrate: (1) conservation retains 77.4% of clean accuracy at noise sigma=0.2, versus 35.1% for baselines and 30.9% for energy-penalized models (p<0.001, 5 seeds); (2) pipelines become depth-invariant, retaining 93.3% at depths 2 through 5 with noise at every boundary; (3) the advantage generalizes to systematic bias (+45.1%), Gaussian (+40.4%), and adversarial noise (+4.8%), with a principled non-effect on dropout (-0.3%); (4) on ResNet-18, the conservation advantage scales inversely with intrinsic normalization: +0.3 pp with BatchNorm, +26.2 pp without at sigma=0.2, reaching +58.0 pp at sigma=0.5. Experiment 5 validates the operator on a real modular robotic pipeline (MuJoCo physics, Franka Panda). Across three independent runs on separate machines (90 trials per cell), conservation provides +18.9 pp average advantage on monocular-depth-style noise. A formal bound proves conserved noise energy is strictly less than input noise energy.
6. Recursive Binding on a Budget: Subspace Carving in Order-p Tensor Memories
预算上的递归绑定:阶-p张量记忆中的子空间雕刻
AI 总结:提出正交子空间雕刻(OSC)方法,通过将填充符投影到角色基的零空间来绑定到角色,固定阶张量记忆实现深度递归绑定,在恒定内存下提升高叠加场景的效率。
链接:https://arxiv.org/abs/2606.11391
机构:University of Wisconsin-Madison(威斯康星大学麦迪逊分校)
作者:Travis Pence, Daisuke Yamada, Vikas Singh
英文摘要:Tensor Product Representations provide the structural fidelity required for symbolic reasoning in models but suffer from exponential dimensionality growth when encoding deep recursive structures. Conversely, Vector Symbolic Architectures maintain constant dimensionality but sacrifice capacity and fidelity due to noisy compression via superposition. In this work, we propose Orthogonal Subspace Carving (OSC), a memory architecture that binds fillers to roles by projecting onto the null space of the role basis before aggregating into a fixed order-p tensor. OSC uses projections to enforce geometric orthogonality between bound structures within a static memory trace. We show that this mechanism decouples the tensor order from the structural depth, enabling deep recursive binding within a constant memory footprint. By performing retrieval via recognition, this construction allows for component vectors that are orders of magnitude smaller than the memory tensor, giving superior memory efficiency in settings involving high superposition. We also show that TPR is a special case of binding in Clifford algebra, and give a Clifford formulation of OSC.
7. SirenFNO: Efficient and Full Frequency Learning of Fourier Neural Operators
SirenFNO:高效且全频率学习的傅里叶神经算子
AI 总结:提出SirenFNO框架,利用正弦表示网络学习隐式神经表示并进行模态核参数化,消除频率截断,实现全频谱学习,在多个PDE基准上以最多73倍参数减少取得性能提升。
链接:https://arxiv.org/abs/2606.11518
机构:The University of Sydney(悉尼大学)
作者:Pengqing Shi, Jie Yin, Stephen Tierney, Junbin Gao
英文摘要: Fourier neural operators (FNOs) are effective and efficient surrogates for approximating solutions of PDEs and generalize across discretizations. However, owing to the reliance on frequency truncation to maintain learning efficiency of FNOs, empirical studies suggest that FNOs exhibit spectral bias toward low-frequency information, which may hinder the learning capability especially for certain PDEs with strong high-frequency oscillations. To address this limitation, we propose SirenFNO, a novel framework that leverages sinusoidal representation networks (SIRENs) to learn implicit neural representations and performs mode-wise kernel parameterization. Our SIREN parameterization learns a full-grid spectrum with a constant and discretization-independent parameter count, thereby eliminating the need for frequency truncation. We further extend SirenFNO with functional tensor decompositions to enhance parameter and learning efficiency. Empirical results show that our SirenFNO consistently outperforms FNO with approximately $4$ to $15$ times parameter reductions with preserved discretization invariance, and our functional decomposition variants obtain performance improvements with a maximum of $73$ times fewer parameters across multiple PDE benchmarks.
8. Kuramoto Attention: Synchronizing Self-Attention on the Torus
Kuramoto注意力:在环面上同步自注意力
AI 总结:提出Kuramoto注意力层,将隐藏坐标视为角度,通过门控余弦相似度和环形均值更新实现自注意力,等价于Kuramoto耦合项,在字符级语言建模中达到与强基线相近的性能。
链接:https://arxiv.org/abs/2606.11585
机构:Department of Informatics, Luddy School of Informatics, Computing, and Engineering, Cognitive Science Program, Indiana University Bloomington(印第安纳大学伯明顿分校信息学系,卢迪信息学、计算与工程学院,认知科学项目)
作者:Joshua Nunley
英文摘要:We introduce Kuramoto attention, a self-attention layer in which each hidden coordinate is an angle. The layer scores tokens by gated cosine similarity, attends over previous phase states, and updates each token by the tangent component of the attention-weighted circular mean. Because the values are the raw phase states, this update is exactly the Kuramoto coupling term $\sum_u A_{t,u}\sin(θ_u-θ_t)$, with the attention matrix acting as an adaptive, content-dependent coupling kernel. Equivalently, the gated score is a learned metric on the torus that selects which tokens couple, and the update pulls each token toward the circular mean of the tokens it selects, tightening their phase agreement. The same two ingredients, an invariant similarity score and an on-manifold mean, define such a layer on any compact group; the torus is the abelian case, where both are closed-form. The softmax weights solve an entropy-regularized phase-retrieval problem, and rotary position enters as a position-dependent phase drift in the score. On enwiki8 character-level language modeling, the layer trains as a functional language model whose bits-per-character stays close to a strong matched RoPE+SwiGLU transformer: within $0.02$ BPC at one million parameters ($1.637\pm0.010$ versus $1.616\pm0.004$) and level on the median at five million ($1.448$ versus $1.452$ over five seeds) with the transformer ahead on the mean ($1.468$ versus $1.456$). These experiments establish that the constrained geometric structure is a viable language model at this scale; the structure itself, and its synchronization reading, is the contribution. Ablations isolate the load-bearing components, and the result gives a compact bridge between self-attention and phase synchronization.
9. When Context Returns: Toward Robust Internalization in On-Policy Distillation
当上下文回归:面向在线策略蒸馏中的鲁棒内化
AI 总结:针对在线策略蒸馏中上下文内化后重新引入上下文导致性能下降的问题,提出一种轻量级一致性正则化方法,通过锚定无上下文输出并惩罚偏离,有效缓解退化并提升鲁棒性。
链接:https://arxiv.org/abs/2606.11627
机构:IIIS, Tsinghua University(清华大学交叉信息研究院)
作者:Xun Wang, Ruishuo Chen, Zhuoran Li, Yu Chen, Longbo Huang
英文摘要:Recent work has shown that on-policy distillation can internalize privileged context, such as system prompts or task hints, into a student model so that the context is no longer needed at inference time. Although this approach successfully improves the student's no-context performance, we identify an interesting and previously unstudied phenomenon: in many settings, reintroducing the original privileged context to the distilled student actually degrades its performance, even on instances it already solves correctly without context. We term this context-induced degradation and argue that robust internalization demands not only matching the teacher's context-conditioned behavior, but also remaining stable when the context is reintroduced, a property we call context removability. Motivated by this observation, we propose a lightweight consistency regularizer that first anchors the student's no-context output via stop-gradient, then penalizes the context-conditioned output for deviating from it via forward KL divergence. This simple addition requires only one extra forward pass per training step, yet it effectively mitigates context-induced degradation and, in many cases, even improves no-context performance. Across 12 configurations spanning diverse domains and model families, our method improves context-conditioned accuracy in the majority of settings, reduces context-induced harm in 11 out of 12 settings, and effectively eliminates response-length inflation. A mechanistic case study further confirms that context removability is achieved at the representation level, with hidden states remaining nearly identical regardless of whether the context is present.
10. Fine-tuning Multi-modal LLMs with ART: Art-based Reinforcement Training
使用ART微调多模态大语言模型:基于艺术的强化训练
AI 总结:提出ART方法,通过优化原始视觉输入将信息注入冻结的多模态大语言模型,实现软提示微调,无需修改计算图,在数学和工具使用基准上达到与LoRA相当的精度。
链接:https://arxiv.org/abs/2606.11854
机构:University of Stavanger(斯塔万格大学); NORCE Research(NORCE研究机构)
作者:Michal Chudoba, Sergey Alyaev, Petra Galuscakova, Tomasz Wiktorski
英文摘要:There are two main Parameter-Efficient Fine-Tuning (PEFT) techniques for Large Language Models (LLMs). While Low-Rank Adaptation (LoRA) introduces additional weights between the LLM layers, Soft Prompting introduces additional fine-tuning-specific raw tokens to an LLM input. However, both require modification to the computational graphs of precompiled, preoptimized LLMs. As a result, neither is fully supported in high-throughput engines like vLLM. We propose fine-tuning with ART (Art-based Reinforcement Training). The method injects information into a frozen Multimodal Large Language Model (MLLM) by optimizing only its raw visual input, thus enabling the soft-token approach on pre-compiled computational graphs. It relies on backpropagation of gradients back into a plain pixel array and thus supports any fine-tuning objective. Moreover, the optimized visual input can be stylized as task-relevant computational artworks. The approach's effectiveness is confirmed for different sizes of a popular open Qwen architecture and for several textual benchmarks. Specifically, ART reaches accuracy competitive with LoRA across mathematics and structured-tool-use benchmarks.
11. HAMNO: A Hierarchical Adaptive Multi-scale Neural Operator with Physics-Informed Learning for Dynamical Systems
HAMNO: 一种用于动力系统的分层自适应多尺度神经算子与物理信息学习
AI 总结:提出HAMNO神经算子架构,通过自适应门控机制平衡局部与全局信息,结合物理信息扩展PI-HAMNO,在非周期Allen-Cahn等方程上提升长期预测精度与物理一致性。
链接:https://arxiv.org/abs/2606.11963
机构:Bauhaus-Universität Weimar(魏玛包豪斯大学); Leibniz University Hannover(莱布尼茨汉诺威大学)
作者:Mostafa Bamdad, Mohammad Sadegh Eshaghi, Timon Rabczuk
英文摘要:Neural operators provide a powerful framework for learning solution mappings of partial differential equations directly in function space. However, many existing architectures still struggle to represent nonlinear time-dependent systems that involve multi-scale structures, long-range interactions, and stable long-time evolution. In this work, we introduce the Hierarchical Adaptive Multi-scale Neural Operator (HAMNO), a neural-operator architecture that combines local convolutional representations, global spectral operators, and hierarchical encoder-decoder processing. The central component of HAMNO is a data-dependent gating mechanism that adaptively balances local and global information at each spatial location, allowing the model to resolve fine-scale features while preserving long-range dependencies. We further develop a physics-informed extension, PI-HAMNO, based on a multi-objective loss strategy that combines data fitting with strong- and weak-form physics constraints. The strong-form term penalizes the domain-integrated squared PDE residual in physical coordinates, while the weak-form term is constructed by multiplying the governing residual by finite-element test functions and evaluating the resulting element integrals using centroid-based tetrahedral quadrature. The framework is evaluated on non-periodic Allen-Cahn (AC), Cahn-Hilliard (CH), and Swift-Hohenberg (SH) equations defined on cubic domains. Across long-horizon rollout, data-limited training, out-of-distribution initial-condition shifts, and random-seed variations, HAMNO improves predictive accuracy over standard neural-operator baselines, while PI-HAMNO further enhances stability, physical consistency, and data efficiency. The implementation is publicly available at https://github.com/MBamdad/HAMNO .
12. Simplicity Suffices for Parameter Noise Injection in Stochastic Gradient Descent
随机梯度下降中参数噪声注入的简单性足以胜任
AI 总结:研究随机梯度下降中的参数噪声注入,提出线性层逐样本噪声注入的高效方法,并实验证明简单各向同性噪声即可达到复杂方案的优化与泛化效果。
链接:https://arxiv.org/abs/2606.12054
机构:Université Laval(拉瓦尔大学)
作者:Benjamin Leblanc, Louis-Jacob Lebel, Teddy Kana, Richard Kamel
英文摘要:Injecting noise into the optimization process is a well-established technique for improving the training and generalization of deep neural networks. Yet, despite the breadth of existing approaches, it remains unclear which design choices truly matter in practice. In this work, we investigate parameter noise injection for stochastic gradient descent, focusing on two key questions: how to efficiently pair each training example with its own perturbation in mini-batch training, and whether sophisticated noise parameterizations or multi-sample gradient averaging yield meaningful gains over simpler alternatives. To address the first question, we leverage a distributional identity for linear layers that allows per-example noise injection without breaking batched computation. To address the second, we systematically compare several diagonal Gaussian parameterizations against an isotropic baseline across varying noise levels on CIFAR100. Our results consistently show that simple, lightweight strategies, isotropic noise with a single perturbed forward pass per update step, recover most of the benefit of more complex schemes. These findings suggest that simplicity suffices for parameter noise injection, and that practitioners need not resort to elaborate perturbation designs to reap the optimization and generalization benefits of noisy SGD.
13. Attention by Synchronization in Coupled Oscillator Networks
耦合振荡器网络中的同步注意力机制
AI 总结:提出基于Kuramoto同步动力学的固定查询振荡器注意力机制,无需指数运算和全局归约,在物理基板上实现注意力计算,并在关键词识别和主谓一致任务上优于softmax。
链接:https://arxiv.org/abs/2606.12059
机构:University of California, Irvine(加州大学尔湾分校)
作者:Fabio Pasqualetti, Taosha Guo
英文摘要:We address transformer attention on energy-constrained physical substrates. Softmax attention requires exponentiation and global reduction, operations with high energy cost on von Neumann hardware and no natural physical analog. We show that Kuramoto synchronization dynamics (which arise in electrical, mechanical, superconducting, and charge-density-wave oscillator arrays, among other physical systems) implement a well-defined attention operation without either. The resulting mechanism, fixed-query oscillator attention, replaces softmax's arithmetic with the equilibration of a gradient flow on the sphere: queries are learned anchors fixed on the sphere, and free oscillators evolve under Kuramoto-Lohe dynamics until they settle at positions encoding attention weights via cosine similarity. Because the computation is equilibration, it requires no exponentiation; the only global operation is an affine normalization at readout. The fixed point is provably unique and globally attractive from almost every initial condition, a guarantee that holds across every physical realization. Empirically, at the minimal hardware configuration (oscillator dimension $d_{\mathrm{osc}}$ = 2), oscillator attention outperforms softmax on keyword spotting (+1.00 pp) and on subject-verb agreement (+5.27 pp on hard sentences, with zero training failures versus one in five for softmax). On causal language modeling, where softmax retains an advantage, oscillator attention closes the gap as $d_{\mathrm{osc}}$ grows: from +11.09 PPL at $d_{\mathrm{osc}}$ = 2 to +2.98 PPL at $d_{\mathrm{osc}}$ = 32 on WikiText-2, and from +2.39 PPL at $d_{\mathrm{osc}}$ = 2 to +0.57 PPL at $d_{\mathrm{osc}}$ = 32 on TinyStories. The main objective of this work is not to replace softmax in software but to provide a mathematically grounded blueprint for accurate attention on physical substrates.
14. nD-RoPE: A Generalized RoPE for n-Dimensional Position Embedding
nD-RoPE:一种用于n维位置嵌入的广义RoPE
AI 总结:提出nD-RoPE,将旋转位置嵌入推广到任意维度,通过多尺度正则单纯形波矢设计实现各向同性,在图像、视频和点云任务中提升性能。
链接:https://arxiv.org/abs/2606.12146
作者:Boyang Li, Yulin Wu, Sizhe Xu, Nuoxian Huang, Zhonghang Yuan, Shangyi Guo, Shu Yang, Takahiro Yabe
英文摘要:Rotary Position Embedding (RoPE) is widely adopted in Transformer models, yet its extension to high-dimensional domains lacks a unified theoretical formulation. Most existing approaches either apply rotations independently along each axis or empirically mix frequencies, which limits cross-dimensional interactions and yields direction-dependent representations. To address these limitations, we propose nD-RoPE, a decomposition-free generalization of RoPE to arbitrary dimensions. From a translation-invariant formulation in continuous Hilbert space, we derive a spectral condition for isotropy that requires treating positions and frequencies as coupled \(n\)-dimensional vectors. We instantiate this formulation with a multi-scale regular-simplex wave-vector design, which provides non-degenerate spatial coverage and a symmetric, directionally balanced second-order response. Experiments across images, videos, and point clouds demonstrate consistent performance gains and improved generalization in high-dimensional settings.
15. Multi-Rate Mixture of Experts for Accelerating Liquid Neural Network Training
多速率专家混合模型加速液态神经网络训练
AI 总结:提出多速率专家混合框架,结合液态神经网络的多尺度动态与注意力机制,提升多变量时间序列建模的准确性和效率。
链接:https://arxiv.org/abs/2606.12240
机构:Virginia Tech(弗吉尼亚理工大学)
作者:Shilong Zong, Almuatazbellah Boker, Hoda Eldardiry
英文摘要:Multivariate time-series data often exhibit complex temporal dependencies, irregular sampling, and heterogeneous dynamics across multiple time scales, making accurate sequence modeling particularly challenging. Traditional recurrent neural networks (RNNs), such as Long Short-Term Memory (LSTM) networks, operate in discrete time and may struggle to effectively capture continuous and irregular temporal behaviors. Liquid Neural Networks (LNNs) address some of these limitations through continuous-time dynamics, but standard LNN architectures typically rely on a single dynamical system, limiting their ability to model heterogeneous temporal patterns. To address these challenges, we propose a Multi-Rate Mixture-of-Experts (MR-MoE) framework built on top of Liquid Neural Networks. In the proposed architecture, multiple LNN-based experts operate at distinct time scales, enabling the model to explicitly separate fast-changing dynamics from slow-evolving temporal trends. A gating network further enables adaptive expert specialization based on input conditions. In addition, we incorporate both feature-level and temporal attention mechanisms to improve robustness, interpretability, and long-range dependency modeling. Feature-level attention suppresses noisy or irrelevant variables, while temporal attention selectively focuses on informative historical states. We evaluate the proposed framework on a complex multivariate time-series prediction task and compare it against strong baselines, including LSTM, monolithic LNN, and standard MoE models. Experimental results demonstrate that the proposed MR-MoE framework consistently achieves improved AUROC and AUPRC performance while maintaining favorable computational efficiency. These results highlight the effectiveness of combining continuous-time dynamics, multi-scale expert decomposition, and adaptive attention mechanisms for time-series modeling.
16. Harness In-Context Operator Learning with Chain of Operators
利用算子链实现上下文算子学习
AI 总结:提出Chain of Operators (CHOP)框架,通过构造显式初等变换与冻结ICON的算子链,无需微调即可提升上下文算子网络在分布外算子任务上的泛化能力,在标量守恒律和平均场控制问题中降低推理误差。
链接:https://arxiv.org/abs/2606.12318
机构:Department of Mathematics, Shanghai Normal University(上海师范大学数学系); Department of Mathematics, National University of Singapore(新加坡国立大学数学系)
作者:Minghui Yang, Ling Guo, Liu Yang
英文摘要:Neural operators approximate mappings between function spaces, but often generalize poorly to other operators and usually require fine-tuning or retraining. In-Context Operator Networks (ICON) addresses this issue by prompting the model with numerical context so that the model learns specific operators from prompts and adapt to different operators without fine-tuning. However, ICON may still fail to generalize to out-of-distribution (OOD) operator tasks. Inpired by the success of harness engineering of Large Language models (LLMs), we introduce Chain of Operators (CHOP), a framework that harness a frozen ICON to OOD operator tasks without updating its parameters. Specifically, CHOP constructs a chain of operators consisting of explicit elementary transformations and the frozen ICON. Experiments on a scalar conservation law and a mean-field control problem show that CHOP reduces relative inference error over direct ICON evaluation, while each operator in the chain remains interpretable and in closed form. A chain constructed on one PDE family further generalizes to a different family, indicating shared mechanisms across harness systems.
17. On Subquadratic Architectures: From Applications to Principles
关于次二次架构:从应用到原理
AI 总结:本文比较了xLSTM、Mamba-2和Gated DeltaNet三种次二次架构,发现xLSTM在代码预训练、蒸馏和时间序列预训练中表现最佳,其优势源于灵活稳定的门控记忆校正机制。
链接:https://arxiv.org/abs/2606.12364
机构:ELLIS Unit Linz, LIT AI Lab, Institute for Machine Learning, Johannes Kepler University Linz(林茨ELLIS单元、LIT AI实验室、机器学习研究所、约翰内斯·开普勒大学林茨); NVIDIA(英伟达)
作者:Anamaria-Roberta Hartl, Levente Zólyomi, David Stap, Pieter-Jan Hoedt, Niklas Schmidinger, Lukas Hauzenberger, Sebastian Böck, Günter Klambauer, Sepp Hochreiter
英文摘要:Transformers dominate modern sequence modeling, but their quadratic attention incurs substantial computational cost. Subquadratic architectures offer a scalable alternative. However, it remains unclear which designs yield the most effective sequence models. We compare three leading approaches: xLSTM, Mamba-2, and Gated DeltaNet. We evaluate these models on tasks with complex dependencies: (1) code-model pre-training, (2) distillation of code models from large language models, and (3) pre-training of time-series foundation models. Across these settings, xLSTM delivers the strongest overall performance. To explain xLSTM's advantage, we present a unified formulation and analyze the underlying architectural mechanisms, focusing on state tracking and memory dynamics. Our results show that xLSTM enables more flexible and stable memory correction via its gating scheme. We corroborate these findings on controlled synthetic length-generalization tasks. Overall, our findings indicate that xLSTM's gains on complex tasks stem from robust state tracking and accumulation.
18. Redesign Mixture-of-Experts Routers with Manifold Power Iteration
重新设计混合专家模型的路由器:基于流形幂迭代
AI 总结:提出将路由器行与专家矩阵主奇异方向对齐,并基于流形幂迭代(MPI)重新设计路由器,通过“幂迭代-收缩”范式实现对齐,理论证明收敛性,实验验证1B至11B参数规模下模型效果提升。
链接:https://arxiv.org/abs/2606.12397
机构:Gaoling School of Artificial Intelligence, Renmin University of China(中国人民大学高瓴人工智能学院); Large Language Model Department, Tencent(腾讯大型语言模型部门)
作者:Songhao Wu, Ang Lv, Ruobing Xie, Yankai Lin
英文摘要:Router is the cornerstone component to the Mixture-of-Experts models. Serving as expert proxies, the rows of the router matrix compute their similarity to the MoE inputs to determine which subset of experts is activated. Ideally, each router row is designed to encode the expert matrix into this representative vector, such that its dot-product with token can better reflect token-expert affinity. However, there exists no design principles to enforce this condensation. In this paper, we propose to align each router row with the principal singular direction of the associated expert, as this direction provides the most expressive mathematical description of a matrix. Based on this principle, we propose a router redesign with Manifold Power Iteration (MPI). Specifically, it introduces a "Power-then-Retract" paradigm, where a power iteration step is performed on the router weights, followed by a retraction to impose a norm constraint to ensure both efficiency and stability. Theoretically, we show that MPI drives router rows to converge toward the principal singular directions of associated experts. Empirically, we pretrain MoE model across scales from 1B to 11B parameters to confirm that this alignment facilitates more effective MoE models.
2. 表示学习、自监督与对比学习 | 6 篇
19. Probabilistic Contrastive Pretraining for Multi-task ADME Property Prediction
概率对比预训练用于多任务ADME性质预测
AI 总结:提出分子图-Transformer预训练框架,结合化学自监督与对比互信息,通过统一概率潜变量目标优化重构、对比和化学任务,在多任务微调中采用任务特定MLP头,在三个数据集上平均提升7.6%-9.5%。
链接:https://arxiv.org/abs/2606.11508
机构:NVIDIA(英伟达)
作者:Yifan Xue, Srimukh Prasad Veccham, Saee Paliwal, Tyler Shimko, Micha Livne
英文摘要:Accurate prediction of absorption, distribution, metabolism, and excretion (ADME) properties is critical to drug discovery, but remains challenging because ADME endpoints are noisy, interdependent, and often data-limited. We propose a molecular graph-transformer pretraining framework that combines chemistry-specific self-supervision with contrastive mutual information machine learning (cMIM). Our method encodes molecular graphs into latent variables, reconstructs SMILES strings from the graph-derived latent codes, and augments the contrastive objective with domain-specific self-supervised chemistry tasks. Rather than treating these tasks as auxiliary regularizers with separately tuned loss weights, we formulate reconstruction, contrastive discrimination, and chemistry-specific supervision as unit-weighted log-probability factors in a single probabilistic latent-variable objective. For fine-tuning, we propose a multi-task GNN readout architecture with task-specific multilayer perceptron heads, preserving shared representation learning while mitigating negative transfer and improving the modeling of heterogeneous, nonlinear task relationships. Across Biogen, ExpansionRX, and ChEMBL-MT, the resulting Contrastive KERMT pretraining improves over the KERMT baseline by 7.6%, 9.9%, and 9.5% respectively (averaged over significantly-improved endpoints). Adding ADME-adjacent molecules to the pretraining corpus further improves transfer, and the contrastive component sharpens chemically meaningful latent neighborhoods.
20. Information-Theoretic Decomposition for Multimodal Interaction Learning
多模态交互学习的信息论分解
AI 总结:提出基于信息论的多模态交互分解方法DMIL,通过变分分解架构和微调策略学习样本特定的冗余、独特和协同交互,提升多模态学习性能。
链接:https://arxiv.org/abs/2606.11614
作者:Zequn Yang, Yake Wei, Haotian Ni, Zhihao Xu, Di Hu
英文摘要:Multimodal learning hinges on capturing redundant, unique, and synergistic information across modalities, which collectively constitute multimodal interactions. A critical yet underexplored challenge is that these implicit interactions vary dynamically across samples. In this work, we present the first systematic, information-theoretic analysis highlighting why learning these dynamic, sample-specific interactions is critical for effective multimodal learning. Our analysis further reveals deficits in conventional paradigms at learning these distinct interaction types: modality ensemble approaches struggle to capture synergy, while joint learning paradigms often under-utilize redundant information. This highlights the need for an approach that can adaptively learn from different interaction types on a per-sample basis. To this end, we propose Decomposition-based Multimodal Interaction Learning (DMIL), a novel paradigm that explicitly models and learns from sample-specific interactions. First, we design a variational decomposition architecture to isolate the constituent interaction components. Second, we employ a new learning strategy that leverages these explicit interaction components in a fine-tuning process to achieve comprehensive interaction learning. Extensive experiments across diverse tasks and architectures demonstrate that DMIL consistently achieves superior performance by adapting to holistic sample-specific interactions. Our framework is flexible and broadly applicable, establishing an interaction-centric paradigm for multimodal learning. The code is available at https://github.com/GeWu-Lab/DMIL.
21. ICA Lens: Interpreting Language Models Without Training Another Dictionary
ICA Lens: 无需训练另一本词典即可解释语言模型
AI 总结:提出ICALens,基于独立成分分析(ICA)高效提取语言模型表示中可解释方向,无需训练稀疏自编码器,在SAEBench上表现竞争力。
链接:https://arxiv.org/abs/2606.11722
机构:Independent Researcher(独立研究员); University of Maryland(马里兰大学)
作者:Sida Liu, Feijiang Han
英文摘要: Finding interpretable directions in language-model representations is critical for understanding and controlling model behavior. Sparse autoencoders (SAEs) have become the standard tool for this purpose, but using them as the default first lens often requires training, storing, and evaluating large overcomplete dictionaries. This bottleneck limits rapid exploration and raises a fundamental question: how much interpretable structure is already visible from activation geometry before training another neural dictionary? Our intuition is simple: many interpretable directions are selective on tokens, and these directions should look less Gaussian than random directions. We therefore revisit independent component analysis (ICA), a classical method for finding non-Gaussian directions, as a compact lens for language-model interpretability. We find that ICA has been underestimated for LLM interpretability, because prior uses often relied on off-the-shelf ICA implementations that are brittle on LLM activations and lacked systematic tools for inspecting and evaluating the recovered directions. To bridge these gaps, we introduce ICALens, the first practical workflow for stable, efficient, and auditable ICA analysis of LLM representations. It combines an optimized GPU-parallel FastICA pipeline with LLM-specific stability recipes and better fitting diagnostics, enabling efficient and reliable layer-wise analysis. Across GPT-2 Small, Gemma 2 2B, and Qwen 3.5 2B Base, ICALens efficiently recovers compact, human-interpretable directions without per-layer gradient-based dictionary training. On SAEBench, ICA is competitive with public SAEs in sparse probing and outperforms them in targeted probe perturbation under small-to-medium budgets. These results suggest that ICA should not be viewed as a weak baseline, but as an efficient and complementary first lens for exploring language-model representations.
22. RePAIR: Predictive Self-Supervised Representation Learning in Chess
RePAIR:国际象棋中的预测性自监督表示学习
AI 总结:提出RePAIR架构,融合MAE、JEPA和BERT,通过掩码和迭代细化学习国际象棋序列的紧凑表示,无需强化学习即可推理棋子移动。
链接:https://arxiv.org/abs/2606.11860
作者:Christoph Koller, Johannes Fürnkranz, Timo Bertram
英文摘要:In this paper, we introduce Representation Prediction via Autoencoding using Iterative Refinement (RePAIR) - a novel self-supervised representation learning architecture that synthesizes Masked Autoencoders (MAE), Joint Embedding Predictive Architectures (JEPA), and Bidirectional Encoder Representations from Transformers (BERT). We demonstrate how it can be used to encode objects in sequential data like consecutive chess positions into compact yet meaningful representations. The basic principle of the architecture is to mask large portions of a sequence of latent states, similar to BERT and MAE. Then, we apply a lightweight Predictor to the latent representations that repairs gaps in the sequence in a lower-dimensional embedding space akin to JEPA. Our experiments in the domain of chess show that the Encoder refines the board representations such that meaningful chess concepts emerge clustered in the latent space. Furthermore, reconstructions of the masked board states show that the model is able to reason about the piece movements without relying on costly reinforcement learning methods. Lastly, we find that the resulting representation space allows for quick and intuitive dissections of chess games by observing the game path trajectories in this semantically rich space.
23. Implicit Neural Representations of Individual Behavior
个体行为的隐式神经表示
AI 总结:提出Behavioral INR模型,用隐式神经表示从无标签多策略行为数据中学习策略表示,通过FiLM层调节策略函数,实现无监督策略识别,在连续状态-动作空间中提升策略可识别性。
链接:https://arxiv.org/abs/2606.12200
作者:Andrew Kang, Priya Narasimhan
英文摘要:We study policy representation learning from unlabeled multi-policy behavioral data. Each episode is generated by a fixed policy, but policy labels are unavailable. This setting appears in robotics play, demonstrations, games, racing, and other datasets where heterogeneous behaviors are mixed without annotations. We introduce \emph{Behavioral INR}, a self-supervised generative model that adapts implicit neural representations (INRs) from vision to behavior. Instead of mapping coordinates to RGB values, Behavioral INR represents a policy as a state-action function mapping states to subsequent actions. An episode-level latent modulates this function through FiLM layers, yielding a generative prior over policies and allowing policy identity to be inferred without supervision. Because INRs treat each datapoint as samples from an underlying function, the same model naturally accommodates variable episode lengths and different sampling granularities, as in vision INRs with different image resolutions. We also define policy-level out-of-distribution (OOD) shifts along state-distribution and action-distribution axes, which arise when policies overlap in states or actions but are not captured by standard behavioral OOD settings based only on new agents or environments. We evaluate on synthetic Gaussian random field data, MuJoCo demonstrations with controlled OOD splits, and real-world chess, Formula 1 racing, robotics, and Seek-Avoid datasets. Behavioral INR most consistently improves policy identifiability in the hardest continuous state-action settings, especially when longer episodes, more policies, and OOD splits reduce the usefulness of marginal shortcuts; amortized history encoders remain competitive when policy identity can be recovered from symbolic repetition or low-dimensional action statistics. We release code and checkpoints.
24. Latent World Recovery for Multimodal Learning with Missing Modalities
缺失模态下的多模态学习中的潜在世界恢复
AI 总结:提出潜在世界恢复(LWR)框架,通过邻居潜在对齐和可用性感知融合,在缺失模态下实现鲁棒的多模态预测,避免显式重构误差。
链接:https://arxiv.org/abs/2606.12362
机构:Queen's University Belfast(贝尔法斯特女王大学)
作者:Hui Wang, Tianyu Ren, Joseph Butler, Christopher Baker, Karen Rafferty, Simon McDade
英文摘要:We study multimodal learning under missing modalities, with particular motivation from bioscience applications in which heterogeneous modalities are often only partially available when decisions need to be made. We propose Latent World Recovery (LWR), a framework built on two key ideas: (i) modality-specific embeddings from different modalities are aligned in a shared latent space, and (ii) a unified representation is constructed by fusing only the embeddings of the modalities that are actually available at both training and inference time. Rather than imputing missing modalities or requiring a fixed modality set, LWR treats each modality as a partial perception of an underlying latent state and performs availability-aware representation learning directly from the observed modalities. This combination of neighbor-based latent alignment and availability-aware modality fusion enables robust multimodal prediction under partial observation, while avoiding error propagation from explicit reconstruction of missing modalities. We evaluate the proposed framework on real-world incomplete multi-omics benchmarks and demonstrate that it provides an effective approach to downstream tasks such as cancer phenotype classification and survival prediction.
3. 强化学习与序列决策 | 10 篇
25. Seeing Before Colliding: Anticipatory Safe RL with Frozen Vision-Language Models
碰撞前的预见:利用冻结视觉-语言模型的预期性安全强化学习
AI 总结:提出VLM-Safe-RL框架,通过冻结视觉-语言模型生成预期性成本项,改进CMDP拉格朗日更新,在高速碰撞场景下实现安全与回报的平衡。
链接:https://arxiv.org/abs/2606.11266
机构:Iowa State University(爱荷华州立大学)
作者:Samuel Tetteh, Cody Fleming
英文摘要:The cost signal that constrained-RL algorithms optimize against is almost always reactive: the simulator emits a non-zero cost only after a collision has begun, and the Lagrange multiplier of PPO-Lagrangian grows only after the episode budget has been exceeded. At race speeds, where collisions are instantaneous and irreversible, any safety mechanism that waits for cost to accumulate is structurally too late. We present VLM-Safe-RL, a framework that integrates a frozen vision-language model into the CMDP Lagrangian update as an anticipatory cost term. The framework comprises four contributions: (i) Decoupled Dual-Path CLIP, independent reward/cost paths that respect the CMDP's factorization; (ii) VLM-Lagrange, an augmented multiplier update that incorporates a per-step VLM cost as an anticipatory term; (iii) Confidence Gating, a Bayes-optimal weight derived from a logistic noise model on the CLIP margin; and (iv) VLMPPOLag, the composed algorithm. On Safety-Gymnasium FormulaOne L2, our principal evaluation ($n{=}5$ seeds, $10^{6}$ steps, budget $d_{\text{lim}}{=}25$) VLMPPOLag$+$Conf is the only configuration in our default budget comparison that simultaneously retains substantive return ($J_r{\approx}40$) and holds cost within budget on a majority of seeds; the five constraint-aware baselines (PPOLag, CPO, CPPOPID, CPO-CLG, PPOLag-RND) each fail at least one requirement. The mechanism generalizes to held-out MetaDrive Medium (catastrophe rate $41\%{\to}26\%$, 95\% bootstrap CI $[-26,-5]$\,pp) and shows directionally consistent transfer to Bullet Safety-Gym; we report honestly where it does not (MetaDrive Easy/Hard, Qwen2-VL backbone) and trace the Hard failure to a Lagrangian-regulation pathology rather than the VLM signal itself. To our knowledge, this is the first work to use frozen VLM signals as an anticipatory cost term inside the CMDP Lagrangian update.
26. Signed Compression Progress on a Sealed Audit is Goodhart-Resistant
密封审计上的有符号压缩进展是古德哈特抵抗的
AI 总结:提出有符号压缩进展作为内在动机,证明其累积奖励等于审计改进,且对有限审计面板具有假阳性预算,抵抗古德哈特定律。
链接:https://arxiv.org/abs/2606.11417
作者:Ayush Mittal, Dhruv Gupta
英文摘要:Compression progress is a long-standing proposal for intrinsic motivation: reward an agent when its world model becomes better at predicting or compressing experience. The folk claim is that this reward is "credible" because it is paid only for learning. We make this precise and prove it. If intrinsic reward is the signed decrease of a fixed sealed-audit loss, r_t = E(theta_{t-1}) - E(theta_t), then cumulative reward telescopes exactly to endpoint audit improvement, so no policy can push reward up indefinitely while true audit performance stagnates or degrades. For finite audit panels the same result holds with a sharp false-positive budget: cumulative empirical reward is at most true audit improvement plus 2 Delta_n(F, delta), the uniform audit deviation of the model class. This is horizon-free: adaptivity over time costs nothing once the sealed panel uniformly controls the class. The theorem also identifies the failure modes: the guarantee disappears if progress is clipped, scored on the agent's own stream, exposed to a high-capacity model on a reusable panel, or applied to a neural class that makes Delta_n vacuous. We give a Lean 4 mechanization of the structural core (telescoping, the finite-audit bound, finite Gibbs, and the entropy floor) and an experiment suite on ARC-TGI grid-transformation generators with adaptive holdout attacks. Experiments confirm the theory: finite-audit deviation scales as n^{-0.527}; signed progress resists clip-farming, stream leakage, and noisy-TV curiosity; naive reusable audits are exploitable by black-box scalar feedback, while standard release defenses keep the attack below the 2 Delta_n threshold. Signed compression progress on a sealed audit is an accounting signal of genuine improvement.
27. IAPO: Input Attribution-Aware Policy Optimization for Tool Use in Small Multimodal Agents
IAPO:面向小型多模态代理工具使用的输入归因感知策略优化
AI 总结:提出输入归因感知策略优化(IAPO),通过强化学习对齐模型与教师模型的输入归因,提升多模态小语言模型的工具调用能力,在六个测试集上平均准确率提升3%。
链接:https://arxiv.org/abs/2606.11652
机构:University of California, Santa Barbara(加州大学圣塔芭芭拉分校)
作者:Yifan Yang, Zhen Zhang, Jiayi Tian, Liyan Tan, Zheng Zhang
英文摘要:This paper investigates reinforcement learning (RL) methods for improving tool-calling capabilities in multimodal small language model (SLM) agents. While existing works have explored various reward designs to improve agentic tool-calling ability, these approaches face inherent limitations for SLM training, especially under multimodal scenarios. First, many existing methods evaluate tool use correctness through exact matching against certain ground-truth or predefined formats. However, this assumption is often unsuitable for multimodal tasks, where multiple tool use paths may be valid and annotated tool trajectories are typically unavailable. Second, such sparse and brittle binary rewards provide little guidance on how to improve the underlying decision process, making them particularly difficult for multimodal SLM to learn from. To address these issues, we propose Input Attribution-Aware Policy Optimization (IAPO), an RL algorithm for improving tool use in multimodal SLM by aligning the model's attribution across input components with that of a stronger teacher. Experiments on Qwen2.5-VL-3B show that the proposed method improves visual question answering accuracy by an average of 3% across six test sets compared with existing visual tool use work, by helping the model attend to the most relevant input evidence.
28. RLCSD: Reinforcement Learning with Contrastive On-Policy Self-Distillation
RLCSD: 基于对比策略自蒸馏的强化学习
AI 总结:针对策略自蒸馏中特权诱导的风格漂移问题,提出RLCSD方法,通过对比正确与错误提示下的师生差距来抑制风格偏移,提升推理模型在数学和逻辑推理任务上的性能。
链接:https://arxiv.org/abs/2606.11709
机构:Tsinghua University(清华大学); Tongyi Lab, Alibaba Group(阿里巴巴集团通义实验室); Peking University(北京大学)
作者:Leyi Pan, Shuchang Tao, Yunpeng Zhai, Lingzhe Zhang, Zhaoyang Liu, Bolin Ding, Aiwei Liu, Lijie Wen
英文摘要:On-policy self-distillation (OPSD) provides dense, token-level supervision for reasoning models by aligning a model's own distribution with the distribution it produces under privileged context, typically a verified solution. However, we show that the learning signal drawn from this distributional gap concentrates on style tokens rather than task-bearing ones, as the hinted model tends to produce more direct, shorter outputs. We term this pathology \emph{privilege-induced style drift}, which destabilizes training or causes response length to shrink. To address this, we propose \textbf{RLCSD} (Reinforcement Learning with Contrastive on-policy Self-Distillation), which mitigates this drift by contrasting the teacher-student gap under a correct hint against that under a wrong hint, suppressing the style shift that conditioning on a hint tends to induce regardless of correctness, and yielding a signal that is more concentrated on task-bearing tokens. Experiments on Qwen3 (1.7B/4B/8B) and Olmo-3-7B-Think across mathematical and logical reasoning show that RLCSD consistently outperforms GRPO and prior OPSD methods. We further show that the contrastive principle is general: it plugs into existing OPSD methods to improve them, and its underlying insight extends to the broader cross-model on-policy distillation setting.
29. Space-sampled Value Decay: Forgetting Mechanisms for Non-stationary Deep Reinforcement Learning
空间采样值衰减:非平稳深度强化学习的遗忘机制
AI 总结:受啮齿动物遗忘行为启发,提出空间采样值衰减作为显式遗忘机制,用于深度强化学习应对环境漂移,在DQN和SAC上验证效果与局限。
链接:https://arxiv.org/abs/2606.11797
机构:CITEC, Faculty of Technology, Bielefeld University(比勒费尔德大学技术学院CITEC)
作者:Felix Störck, Fabian Hinder, Barbara Hammer
英文摘要:Studies on rodents such as mice have shown the capabilities to adapt their behavior when dealing with changing parameters (``drift'') of the environment even if no information about change is provided (uncertainty) -- a behavior that can be modeled by forgetting mechanisms. Non-stationary Reinforcement Learning (NSRL) deals with adapting state-of-the-art RL methods to deal with changing environments: these however usually require (partially) perfect information about the drift such as ``task IDs'' or ``context''. To mitigate the effects of drift, this work develops \emph{Space-sampled Value Decay} as an explicit forgetting mechanism for value-based deep RL architectures as a simple yet effective approach. In particular we demonstrate and discuss positive effects but also limitations in achieved returns for modifications of Deep Q-networks (DQN) and Soft Actor-Critic (SAC) when evaluated on non-stationary environments.
30. Efficient Multinomial Logistic Bandit via Frequent Directions
基于频繁方向的高效多项式逻辑斯蒂老虎机
AI 总结:针对多项式逻辑斯蒂老虎机的高维计算瓶颈,提出集成频繁方向矩阵素描的EOFD-MLogB算法,将每轮复杂度降至O(Kd(m+K)^2)时间和O(Kd(m+K))空间,并证明其遗憾界接近原算法。
链接:https://arxiv.org/abs/2606.11968
机构:State Key Laboratory of Novel Software Technology, Nanjing University(南京大学计算机软件新技术国家重点实验室); School of Artificial Intelligence, Nanjing University(南京大学人工智能学院); Paul G. Allen School of Computer Science & Engineering, University of Washington(华盛顿大学保罗·G·艾伦计算机科学与工程学院)
作者:Linzhe He, Yu-Jie Zhang, Sifan Yang, Lijun Zhang
英文摘要:This paper studies efficient online algorithms for multinomial logistic bandits (MLogB), where the feedback distribution over $K+1$ outcomes follows a multinomial logistic model of $d$-dimensional action vectors. A representative UCB-type algorithm, OFUL-MLogB, achieves a regret bound of $\tilde{\mathcal{O}}(Kd\sqrt{T})$, but still requires $\mathcal{O}(K^3d^3)$ time and $\mathcal{O}(K^2d^2)$ space per round due to parameter estimation and optimistic reward construction, which is prohibitive in high-dimensional settings. To address this limitation, we propose EOFD-MLogB, which integrates frequent directions matrix sketching into OFUL-MLogB. By maintaining a low-rank SVD sketch of the accumulated Hessian, constrained online Newton updates in parameter estimation and $Kd \times K$ spectral-norm computations in the reward bonus are reduced to one-dimensional root-finding tasks and $K \times K$ eigenvalue computations, respectively. This yields dominant per-round time complexity $\mathcal{O}(Kd(m+K)^2)$ and space complexity $\mathcal{O}(Kd(m+K))$, where $m \ll d$ is the sketch size. We further prove a regret bound of $\tilde{\mathcal{O}}(Δ_T(Kd\lnΔ_T+m)\sqrt{T})$, where the sketching error factor $Δ_T$ is controlled by the $m$-truncated spectral tail of the Hessian. Thus, when the Hessian is approximately low-rank, the regret is close to that of OFUL-MLogB. Experiments validate the computational efficiency and competitive performance.
31. PAWS: Preference Learning with Advantage-Weighted Segments
PAWS: 基于优势加权片段的首选学习
AI 总结:针对偏好强化学习中训练与推理分布不匹配导致时间信用分配退化的问题,提出PAWS方法,利用片段级优势函数直接进行策略更新,在机器人操作和运动任务上优于现有方法。
链接:https://arxiv.org/abs/2606.11982
作者:Aleksandar Taranovic, Onur Celik, Niklas Freymuth, Ge Li, Serge Thilges, Huy Le, Tai Hoang, Rania Rayyes, Gerhard Neumann
英文摘要:Preference-based reinforcement learning (PbRL) learns policies from human trajectory-level comparisons, avoiding explicit reward design and expert demonstrations. Existing methods typically train utility functions on trajectory or segment-level preferences while relying on per-step utility estimates during policy optimization. This training and inference mismatch induces a distribution shift that severely degrades temporal credit assignment and limits policy learning. We analyze this issue and propose PAWS, a segment-based preference learning method that performs policy updates directly using segment-level advantage functions. By aligning utility training with policy optimization, PAWS preserves trajectory-level preference information and avoids unreliable per-step learning signals. Experiments on simulated robotic manipulation and locomotion tasks demonstrate that PAWS consistently outperforms existing PbRL approaches, highlighting the importance of distribution-consistent preference learning.
32. Breaking Entropy Bounds: Accelerating RL Training via MTP with Rejection Sampling
打破熵界:通过带拒绝采样的多令牌预测加速强化学习训练
AI 总结:针对强化学习训练中多令牌预测接受率因熵波动而下降的问题,提出Bebop方法,采用概率拒绝采样和端到端TV损失优化,实现高达95%接受率和1.8倍加速。
链接:https://arxiv.org/abs/2606.12370
机构:Qwen Team, Alibaba Inc(阿里巴巴集团 Qwen 团队)
作者:Yucheng Li, Huiqiang Jiang, Yang Xu, Jianxin Yang, Yi Zhang, Yizhong Cao, Yuhao Shen, Fan Zhou, Rui Men, Jianwei Zhang, An Yang, Bowen Yu, Bo Zheng, Fei Huang, Junyang Lin, Dayiheng Liu, Jingren Zhou
英文摘要:Reinforcement learning (RL) has become a key component in modern large language models, yet the rollout stage remains the key bottleneck in RL training pipelines. Although Multi-Token Prediction (MTP) offers a natural solution to accelerate rollouts through speculative decoding, many studies have observed that MTP acceptance rates degrade significantly during RL training, leading to limited speedup performance. To address this bottleneck, we present Bebop, a systematic study of MTP in LLM post-training, and offer practical recipes to integrate MTP into large-scale RL pipelines. First, we reveal that the MTP acceptance rate is fundamentally bounded by the fluctuation of model entropy, which demonstrates a clear negative linear relationship with the rise of entropy in the RL stage. Second, we show that probabilistic rejection sampling largely alleviates the disturbance introduced by entropy in RL compared to greedy draft sampling. We further identify that the conventional MTP training objectives (cross-entropy or KL) are suboptimal in such settings, and therefore we propose a novel end-to-end TV loss that directly optimizes multi-step rejection sampling acceptance rate, yielding ~10% acceptance rate improvements, achieving up to 95% acceptance rates and up to 25% extra inference throughput gains across mathematical reasoning, code generation, and agentic tasks. Third, we test various online MTP training strategies during RL and show that pre-RL MTP training with e2e TV loss and rejection sampling achieves a consistent acceptance rate and speedup throughout the entire RL, eliminating the need for costly online MTP updating. We provide extensive experiments and analysis that validate our findings. Experimental results show our method achieves up to 1.8x end-to-end acceleration in async RL training of Qwen3.5, Qwen3.6, and Qwen3.7 models.
33. APPO: Agentic Procedural Policy Optimization
APPO: 智能体程序策略优化
AI 总结:提出APPO方法,通过细粒度分支和程序级优势缩放改进智能体强化学习的信用分配,在13个基准上平均提升近4个点。
链接:https://arxiv.org/abs/2606.12384
机构:University of Science and Technology of China(中国科学技术大学); AMAP, Alibaba Group(阿里巴巴集团高德地图); Southern University of Science and Technology(南方科技大学)
作者:Xucong Wang, Ziyu Ma, Yong Wang, Yuxiang Ji, Shidong Yang, Guanhua Chen, Pengkun Wang, Xiangxiang Chu
英文摘要:Recent advances in agentic Reinforcement Learning (RL) have substantially improved the multi-turn tool-use capabilities of large language model agents. However, most existing methods assign credit over coarse heuristic units, such as tool-call boundaries or fixed workflows, making it difficult to identify which intermediate decisions influence downstream outcomes. In this work, we study agentic RL from two perspectives: \textit{where to branch and how to assign credit after branching}. Our pilot analysis shows that influential decision points are broadly distributed throughout the generated sequence rather than concentrated at tool calls, while token entropy alone does not reliably reflect their impact on final outcomes. Motivated by these observations, we propose \textbf{Agentic Procedural Policy Optimization (APPO)}, which shifts branching and credit assignment from coarse interaction units to fine-grained decision points in the sequence. APPO selects branching locations using a Branching Score that combines token uncertainty with policy-induced likelihood gains of subsequent continuations, enabling more targeted exploration while filtering out spurious high-entropy positions. It further introduces procedure-level advantage scaling to better distribute credit across branched rollouts. Experiments on 13 benchmarks show that APPO consistently improves strong agentic RL baselines by nearly 4 points, while keeping efficient tool-calls and maintaining behavior interpretability.
34. ATLAS: Active Theory Learning for Automated Science
ATLAS: 自动化科学的主动理论学习
AI 总结:提出ATLAS框架,通过主动学习迭代生成稀疏神经网络假设并设计最优区分实验,在bandit任务中恢复强化学习智能体,相比随机实验采样效率提升5-10倍。
链接:https://arxiv.org/abs/2606.12386
机构:Google DeepMind(谷歌深度思维); Princeton University(普林斯顿大学); Columbia University(哥伦比亚大学); University College London(伦敦大学学院)
作者:Noémi Éltető, Nathaniel D. Daw, Kimberly L. Stachenfeld, Kevin J. Miller
英文摘要:Advancing scientific understanding through mechanistic modeling requires posing the right experimental questions to yield maximally informative data. To automate this pursuit within cognitive science, we introduce ATLAS (Active Theory Learning for Automated Science), an active learning framework for the data-driven discovery of interpretable behavioral models. ATLAS iterates between generating mechanistic hypotheses--instantiated as a diverse ensemble of sparse neural networks (Disentangled RNNs)--and designing experiments that optimally distinguish between them. We test this approach on the problem of recovering reinforcement learning agents from their behavior in bandit tasks. ATLAS designs varied sequences of qualitatively novel experiments with temporal structure tailored to underlying agent characteristics. The models trained on these experiments are evaluated against a comprehensive set of metrics for mechanistic modeling that capture behavioral, structural, and computational similarity. ATLAS achieves a 5-10x improvement in sample efficiency across all metrics compared to random experimentation, and its performance is further validated against expert-designed experiments derived from literature. These in silico results showcase ATLAS's potential to accelerate human-interpretable insights in cognitive science and other domains where scientific inquiry relies on discovering mechanistic models.
4. 生成模型与概率建模 | 6 篇
35. Physics-informed generative AI for semiconductor manufacturing: Enforcing hard physical constraints in generative models by construction
物理信息驱动的生成式AI在半导体制造中的应用:通过构造强制生成模型中的硬物理约束
AI 总结:针对半导体制造中生成模型必须满足硬物理约束的问题,本文提出通过构造集成物理信息(如物理信息扩散、PDE约束变分模型等)来强制约束,而非事后过滤,并给出四种集成模式和未来研究方向。
链接:https://arxiv.org/abs/2606.11247
作者:Yaser Mike Banad, Sarah Sharif
英文摘要:Generative models are increasingly used to propose designs, data, and control actions for physical systems, yet many such systems are governed by hard physical constraints rather than by perceptual plausibility. Semiconductor manufacturing provides a demanding test case: generated masks, layouts, synthetic defect data, and process recipes must obey lithography, transport, reaction, and device-physics constraints, because physically invalid samples are not merely low quality but unusable. This Perspective argues that semiconductor manufacturing exposes a broader computational-science challenge, namely that generative AI for constrained physical domains must be physics-informed by construction, not corrected only through post-hoc filtering. We survey the emerging architectural toolkit, including physics-informed diffusion, PDE-constrained variational models, neural-operator priors, and conservation-law-respecting generative networks, and show how it connects to differentiable lithography, TCAD, process simulation, and autonomous experimentation. We identify four integration patterns between generative models and physics-based simulators, and we propose a research agenda centered on physics-fidelity benchmarks, differentiable simulator infrastructure, and multimodal foundation models for physical design and manufacturing. The central claim is analytical rather than rhetorical: where physical validity is the binding criterion of success, architectures that enforce it by construction should be expected to outperform those that filter for it after the fact, and the fab is the setting where this distinction is sharpest.
36. Least-Action-Guided Diffusion for Physical Extrapolation
最小作用量引导扩散用于物理外推
AI 总结:提出最小作用量引导扩散(LAPG)框架,通过将最小作用量原理转化为可微的推理时校正机制,在时间、参数和几何外推中保持物理一致性,优于训练时物理信息基线。
链接:https://arxiv.org/abs/2606.11277
机构:College of Engineering, Peking University(北京大学工学院); Ningbo Institute for Digital Twin, Eastern Institute of Technology(东方理工宁波数字孪生研究院); Eastern Institute for Advanced Study, Eastern Institute of Technology(东方理工高等研究院); Shenzhen Tenfong Technology Co., Ltd.(深圳腾方科技有限公司); Mechanical Engineering, The Pennsylvania State University(宾夕法尼亚州立大学机械工程系)
作者:Zhongxin Yang, Yuanwei Bin, Xiang I. A. Yang, Shiyi Chen
英文摘要:Reliable extrapolation remains a central challenge for generative models in computational physics, because models trained over finite ranges of time, parameters, or geometries may produce physically inconsistent predictions outside the training distribution. We introduce a least-action-principle-guided diffusion, LAPG, a framework that promotes physical consistency during inference rather than relying solely on constraints imposed during training. The method combines a conditional score-based diffusion model with an action-derived physical guidance score. In the first stage, the learned score model generates an in-distribution proposal; in the second, an action-based variational prior refines this proposal toward the target out-of-distribution condition. This formulation turns the principle of least action into a differentiable inference-time correction mechanism and provides an alternative to pointwise residual penalties that often require empirical loss balancing. We evaluate LAPG on representative ordinary- and partial-differential-equation systems, including free fall, conservative and dissipative spring-mass dynamics, interacting point vortices, and potential flow over parameterized airfoils. In temporal, parameter, and geometric extrapolation tests, LAPG reduces phase drift, preserves dissipative decay, captures vortex motion, and improves the lift response of airfoil flows compared with training-time physics-informed baselines.
37. FreeBridge: Variational Schrödinger Bridges for Cellular Transition Dynamics
FreeBridge: 用于细胞转变动力学的变分薛定谔桥
AI 总结:针对高内涵成像中细胞扰动建模的端点监督问题,提出FreeBridge方法,通过变分薛定谔桥在固定细胞流形上学习随机传输,并利用经验潜在支持正则化约束中间路径,在保持端点保真度的同时减少中间支持违规。
链接:https://arxiv.org/abs/2606.11286
机构:Stony Brook University(石溪大学); University of Toronto(多伦多大学); University Health Network(大学健康网络)
作者:Xurui Wang, Qin Ren, Jun Ma, Haibin Ling, Chenyu You
英文摘要:High-content imaging assays quantify cellular responses to chemical and genetic perturbations, yet continuous trajectories of individual cells are unobservable because cells are chemically fixed at acquisition. Perturbation modeling therefore reduces to inferring stochastic transport between control and treated populations observed only as separate marginals. While recent generative models achieve strong end-point alignment, boundary consistency does not determine intermediate evolution: multiple stochastic processes may connect identical marginals while traversing regions unsupported by observed single-cell morphologies. We introduce \textbf{FreeBridge}, a Schrödinger Bridge formulation for single-cell transition modeling under endpoint-only supervision. FreeBridge defines atomic states as instance-segmented single-cell representations, establishing a fixed cellular manifold, and learns stochastic transport constrained within this geometry via empirical latent support regularization. Across BBBC021, RxRx1, and JUMP, FreeBridge maintains competitive or improved endpoint fidelity and mechanism-of-action retention under a unified evaluation protocol; on BBBC021, it further reduces intermediate support violations. These findings highlight the importance of geometric grounding for biologically interpretable perturbation dynamics. Project page: https://y-research-sbu.github.io/FreeBridge/.
38. Spectrally Regularized Latent Flow Matching for Turbulence Generation
谱正则化潜流匹配用于湍流生成
AI 总结:针对潜扩散和流匹配模型在湍流生成中低估耗散区振幅的问题,提出谱正则化潜流匹配框架,通过区域加权对数谱目标将深度耗散保留谱功率从25%提升至94%,并显著改善采样成本-保真度权衡。
链接:https://arxiv.org/abs/2606.11691
机构:Department of Mechanical Engineering, University of Nevada, Reno(内华达大学里诺分校机械工程系)
作者:Khalid Rafiq, Aditya G. Nair
英文摘要: Latent diffusion and flow matching have emerged as leading approaches for synthetic turbulence generation, yet they systematically under-represent dissipation-range amplitudes. We introduce a latent flow matching framework with a spectrally regularized compression stage that directly targets this failure mode. On a 256^2 DNS dataset at Re_f \approx 2250, replacing an MSE-trained VAE with a zone-weighted log-spectral objective raises deep-dissipation retained spectral power from 25% to 94% in reconstruction and from 20% to 79% in unconditional generation. The improved latent representation also yields a substantially better sampling cost-fidelity tradeoff: the MSE-trained latent space imposes a fundamental quality ceiling near DD bias -0.70 that no integrator or step-count can overcome, while the spectrally regularized latent space reaches DD bias -0.117 at just 20 function evaluations. Mechanistically, encoder-decoder swap experiments show that the improvement is driven primarily by encoder-induced latent reorganization rather than decoder capacity, while a support-amplitude decomposition reveals that MSE-trained models behave as conservative suppression models, minimizing pointwise error by attenuating intermittent high-wavenumber structure. Both pipelines recover the second-order structure function and the correct sign of S_3, indicating the correct cascade direction without explicit supervision. A small residual gap in the magnitude of S_3 suggests that phase-coherent triadic organization remains a complementary axis to amplitude fidelity for future generative turbulence models.
39. Flow Matching with In-Context Priors for Out-of-Distribution Brain Dynamics
基于上下文先验的分布外脑动力学流匹配
AI 总结:提出一种逐时间步条件扩散Transformer,通过注入组合语言和可选空间先验,实现未见认知任务下fMRI脑动力学的零样本生成,支持反事实神经科学。
链接:https://arxiv.org/abs/2606.11833
机构:Hertie Institute for AI in Brain Health, University of Tübingen(赫蒂人工智能脑健康研究所,图宾根大学); Tübingen AI Center, University of Tübingen(图宾根人工智能中心,图宾根大学); Charité – Universitätsmedizin Berlin, Department of Psychiatry and Psychotherapy(柏林夏里特医学院,精神病学与心理治疗系); German Center for Mental Health (DZPG), partner site Tübingen(德国心理健康中心(DZPG),图宾根合作站点)
作者:Sam Gijsen, Michał Łukomski, Marc-André Schulz, Kerstin Ritter
英文摘要:Flow matching and diffusion models enable conditional generation across domains ranging from images to proteins, with recent extensions to out-of-distribution contexts. Yet generative models of neural time series have largely remained restricted to categorical conditioning, precluding compositional and zero-shot generalization. In this work, we propose a per-timestep conditioned diffusion transformer for generating realistic fMRI brain dynamics during unseen cognitive tasks by injecting both compositional language and optional spatial priors in-context. Such zero-shot generation could enable counterfactual neuroscience by supporting in-silico design and evaluation of novel cognitive experiments before empirical validation. Leveraging this model, we evaluate across hundreds of held-out task conditions and characterize predictive performance in relation to the training manifold. From language alone, the model recovers region-specific recruitment across tasks and held-out spatial activation patterns. Spatial priors, when available, complement the text pathway by anchoring generation in regions of task space where language alone degrades, while retaining the compositional structure needed for counterfactual task specification. To our knowledge this is the first generative model of whole-cortex fMRI dynamics for unseen cognitive tasks, advancing counterfactual neuroscience and data-driven experimental design.
40. Re-evaluating Confidence Remasking in Masked Diffusion Language Models
重新评估掩蔽扩散语言模型中的置信度重新掩蔽
AI 总结:本文重新评估了掩蔽扩散语言模型中一种无需训练的后验置信度重新掩蔽方法WINO,发现在标准解码设置下其收益甚微,且会加剧多样性坍塌问题。
链接:https://arxiv.org/abs/2606.12232
机构:UvA-Bosch Delta Lab, University of Amsterdam(阿姆斯特丹大学UvA-Bosch Delta实验室); Bosch Center for AI(博世人工智能中心); University of Basel(巴塞尔大学); Johns Hopkins University(约翰霍普金斯大学)
作者:Stipe Frkovic, Metod Jazbec, Dan Zhang, Christian A. Naesseth, Ilija Bogunovic, Eric Nalisnick
英文摘要:Masked diffusion language models (dLLMs) have recently emerged as a competitive alternative to autoregressive language models, with the promise of faster inference via parallel token generation. A notable limitation of the masked formulation, however, is that once a token has been unmasked it can no longer be revised, leaving dLLMs vulnerable to early sampling mistakes. To address this, a growing body of work has sought to extend masked dLLMs with self-correcting (remasking) capabilities. One appealing subset of these methods does so in a training-free, post-hoc manner based on token confidences, with encouraging early reported results. In this work, we revisit the empirical evaluation of a representative post-hoc remasking method, WINO [Hong et al., 2026], and find that under standard decoding settings (shorter block lengths) it brings little-to-no benefit over confidence-based unmasking alone [Wu et al., 2025]. Extending the evaluation to non-greedy decoding, we find that while confidence-based remasking can mitigate errors introduced by increased stochasticity to some extent, it also exacerbates the diversity collapse previously reported for confidence-based unmasking. Overall, our results show that the benefits of post-hoc confidence-based remasking are highly setting-dependent, underscoring the need for a more comprehensive evaluation framework.
5. 优化、泛化与理论分析 | 6 篇
41. Loss Landscape Diagnosis for Gradient-Based Gray-Scott System Inversion: Disentangling the Roles of PINN Components
基于梯度的Gray-Scott系统反演的损失景观诊断:解构PINN各组件的角色
AI 总结:通过直接反向传播稳态损失至未折叠的Gray-Scott模拟,发现优化因损失景观中的平坦高原和陡峭悬崖而失败,而PINN中的残差损失通过隐式编码完整PDE动力学避免了该病理现象。
链接:https://arxiv.org/abs/2606.11258
作者:Yan Yang
英文摘要:Gradient-based inversion of reaction-diffusion systems is typically approached via surrogate models or physics-informed neural networks (PINNs), while the most direct route, backpropagation through the PDE's structure itself, has largely been avoided. We pursue this direct route as a diagnostic probe, backpropagating a steady-state loss through unrolled Gray-Scott simulation to recover its parameters, with no surrogate or neural-network augmentation. Optimization fails to converge, and plotting the landscape directly locates the failure in its geometry -- flat plateaus with no gradient signal, bounded by sharp cliffs that align with bifurcation boundaries -- a structure that recurs across loss functions and is inherited however the gradients are routed to parameters. Reading this minimal setup as an ablation of PINN, we disentangle each component's role: with the neural network fixed, the residual loss is quadratic in the PDE parameters and yields a smooth landscape, so it alone already avoids the pathology, by implicitly encoding the full PDE dynamics across all initial conditions. The neural network, for its part, cannot repair an ill-posed parameter subspace, and so serves only to complete the observed data -- a division of labor not previously made explicit. These findings carry concrete design implications for PINN-type methods and a broader heuristic on when added dimensions actually help.
42. Mirror Descent Beyond Euclidean Stability: An Exponential Separation in Initialization Sensitivity
超越欧几里得稳定性的镜像下降:初始化敏感性的指数级分离
AI 总结:本文证明非二次正则化的镜像下降(MD)在凸光滑目标上对初始化的敏感性可呈指数级增长,与梯度下降(GD)形成鲜明对比,并提出基于锚点的Bregman正则化可缓解不稳定性。
链接:https://arxiv.org/abs/2606.11431
机构:Blavatnik School of Computer Science and AI, Tel Aviv University(特拉维夫大学布拉瓦特尼克计算机科学与人工智能学院); Google Research(谷歌研究院)
作者:Shira Vansover-Hager, Matan Schliserman, Ofir Schlisselberg, Tomer Koren
英文摘要:Mirror Descent (MD) extends Gradient Descent (GD) beyond Euclidean geometry and has recently reappeared as a lens for KL-regularized policy optimization in reinforcement learning and LLM post-training. This raises a basic robustness question, crucial to reproducibility and reliability: how sensitive are MD dynamics to their inputs? We focus on initialization, often itself a pretrained or previously aligned model. Quadratic-regularized MD, including GD and Mahalanobis geometries, is well-known to be stable for convex smooth objectives. We show a sharp contrast: once the regularizer is non-quadratic, MD can be exponentially more sensitive to initialization than GD, even with a well-conditioned regularizer in Euclidean norm. We give a three-dimensional construction with a convex, smooth objective and a strongly convex, smooth, well-conditioned regularizer where an initial $\varepsilon$ perturbation is quickly amplified to $\min\{\text{polylog}^{-1}(1/\varepsilon), \varepsilon e^{Ω(ηT)}\}$ after $T$ iterations of MD with step size $η$. For canonical KL-regularized MD on the simplex, we show that even linear objectives can amplify an initial $\varepsilon$ perturbation exponentially fast in high-dimensional or near-boundary regimes. Finally, we show that adding a Bregman regularization term toward an anchor point can stabilize the dynamics while largely preserving the optimization guarantees, and that the choice of anchor is crucial: anchoring at the initialization only partially mitigates the instability, whereas anchoring at a fixed point yields a more stable mechanism.
43. Range-Aware Bayesian Optimization for Discovering Diverse Designs within Target Property Windows
范围感知贝叶斯优化用于在目标属性窗口内发现多样化设计
AI 总结:提出范围感知贝叶斯优化框架,通过采集函数直接评分候选解满足目标范围的后验概率,在基准任务和实际案例中比标准方法发现更多样化的有效设计。
链接:https://arxiv.org/abs/2606.11574
机构:Department of Chemical and Biological Engineering, Princeton University(普林斯顿大学化学与生物工程系)
作者:Shengli Jiang, Jason Wu, Charles M. Schroeder, Michael A. Webb
英文摘要:In many materials and product design problems, desirable candidates exhibit properties that fall within an acceptable range rather than achieve a single optimum. Recovering multiple, distinct solutions that satisfy such specifications is also practically valuable, as some candidates may be preferred for reasons of cost, processability, or robustness that are difficult to encode directly in an objective function. Here, we develop a range-aware Bayesian optimization (BO) framework in which the acquisition function directly scores the posterior probability that a candidate satisfies a target range. The framework naturally extends to parallel pursuit of multiple distinct specifications over a shared candidate space. Across benchmark tasks, range-aware acquisition consistently recovers larger and more diverse sets of valid designs than standard BO baselines and recent goal-seeking methods. Its utility is further demonstrated in two practically motivated design case studies involving optimizing reaction conditions for polymer synthesis and sequence-defined oligomer discovery for prescribed optical absorption bands, supported by quantum chemical calculations. These results suggest that range-aware BO can provide a practical and sample-efficient foundation for specification-driven design, particularly when design flexibility and solution diversity are important considerations.
44. Capacity-Constrained Online Convex Optimization with Delayed Feedback
具有延迟反馈的容量受限在线凸优化
AI 总结:研究在硬容量约束下(最多同时跟踪C个待处理轮次)的延迟在线凸优化,通过引入半先知模型和延迟加权FTRL算法,首次给出了凸和强凸损失下容量受限OCO的遗憾界。
链接:https://arxiv.org/abs/2606.11711
机构:Department of Statistical Sciences, University of Toronto(多伦多大学统计科学系); Vector Institute(向量研究所); Institute for Data, Econometrics, Algorithms, and Learning (IDEAL), hosted by UIC and TTIC(数据、计量经济学、算法与学习研究所(IDEAL),由伊利诺伊大学芝加哥分校和丰田工业大学芝加哥分校主办)
作者:Alexander Ryabchenko, Idan Attias, Daniel M. Roy
英文摘要:Online learning with delayed feedback typically assumes that the learner can track all pending rounds until their feedback arrives. In practice, tracking resources are finite, and feedback from untracked rounds is permanently lost. In this paper, we study delayed online convex optimization (OCO) under a hard capacity constraint, where at most $C$ pending rounds can be tracked at any time. To model delay information, we introduce a semi-clairvoyant model that refines the clairvoyant assumption from prior work: rather than requiring delays to be known at prediction time, the learner observes delay expirations online, consistent with the classical unconstrained delayed setting. Our approach proceeds via a reduction to a novel ``delayed and weighted'' OCO problem, using a scheduler that randomizes tracking decisions and importance-weights the resulting observations. For this base problem, we propose and analyze Delayed-Weighted FTRL and its bandit analogue, establishing regret bounds that explicitly characterize the interaction between time-varying weights and delayed feedback. Combining these base learners with our schedulers yields the first regret guarantees for capacity-constrained OCO under convex and strongly convex losses, for both first-order and bandit feedback. For first-order feedback, capacity $C = Ω(\log T)$ suffices to recover standard delayed OCO rates up to logarithmic factors. For bandit feedback, the regret rates are modulated by powers of $(1 + σ_{\text{max}}/C)$, where $σ_{\text{max}}$ is the maximum number of pending observations at any time. This allows the regret bound to degrade gracefully when $C < σ_{\text{max}}$, while remaining sublinear.
45. Reliable Error Estimation for PINNs: Lower and Upper A Posteriori Bounds
PINNs的可靠误差估计:后验下界与上界
AI 总结:提出PINNs求解常微分方程的可计算后验误差下界,结合局部单侧Lipschitz条件得到更紧的上界,实现双侧误差包络,并讨论初始条件处理对下界的影响。
链接:https://arxiv.org/abs/2606.12050
机构: Physikalisch-Technische Bundesanstalt (PTB)(德国联邦物理技术研究院); Technical University of Berlin(柏林工业大学); Weierstrass Institute for Applied Analysis and Stochastics(魏尔斯特拉斯应用分析与随机研究所); Eastern Mediterranean University(东地中海大学)
作者:Ismail Huseynov, Arzu Ahmadova, Agamirza Bashirov
英文摘要:Physics-informed neural networks (PINNs) combine machine learning with physical laws to solve differential equations. While existing results provide rigorous \emph{a posteriori} upper bounds for PINN prediction errors, complete certification also requires complementary lower information in order to obtain computable two-sided error enclosures. In this paper, we derive computable \emph{a posteriori} lower bounds for PINN errors in ordinary differential equations on suitable certified state-space domains under a localized strong monotonicity condition. We combine these estimates with complementary localized upper bounds under a one-sided Lipschitz condition, which is weaker than the global Lipschitz assumption used in previous work and can yield sharper upper error bands. The resulting bounds depend only on the neural-network approximation, the ODE residual, and local monotonicity and growth constants, and therefore do not require access to the exact solution. For linear time-invariant and time-varying systems, we further derive explicit formulas in terms of the minimal and maximal eigenvalues of the symmetric part of the system matrix. We also discuss the distinction between soft and hard enforcement of initial conditions in PINNs and explain why exact enforcement can make the scalar lower certificate uninformative. To recover nontrivial lower information in the linear setting, we use a signed-residual finite-probe certificate based on coordinate unit vectors. We also formulate a certificate-informed training strategy in which the propagated upper certificate is used as an auxiliary regularizer, while lower certificates remain post-training diagnostics. Altogether, the proposed framework provides rigorous and practically computable error certificates for PINN approximations of ODEs, while making explicit the domains and model classes for which the assumptions can be verified.
46. A Riemannian Approach to Low-Rank Optimal Transport
低秩最优传输的黎曼方法
AI 总结:提出黎曼几何框架用于低秩最优传输,通过将平衡与不平衡秩r正因子耦合建模为光滑子流形,并采用Fisher-Rao乘积度量,实现高效的一阶和二阶求解器,在收敛速度和性能上超越现有方法。
链接:https://arxiv.org/abs/2606.12120
机构:Centre for Machine Intelligence and Data Science, IIT Bombay(印度理工学院孟买分校机器智能与数据科学中心); Microsoft India(微软印度)
作者:Pratik Jawanpuria, Bamdev Mishra
英文摘要:Low-rank optimal transport (OT) mitigates the quadratic scaling of classical solvers, yet existing approaches rely heavily on first-order mirror-descent updates that require careful hyperparameter tuning and ignore the optimization landscape's curvature. To address these limitations, we propose a unified Riemannian geometric framework for low-rank OT, modeling balanced and unbalanced rank-$r$ positive factored couplings as novel smooth embedded submanifolds of the positive orthant. By equipping these manifolds with the Fisher-Rao product metric, we derive tractable formulations for Riemannian projectors, retractions, and Hessian-vector products. Our cost-agnostic framework seamlessly extends to linear OT, Gromov-Wasserstein (GW), fused GW, and their unbalanced counterparts. For balanced OT, our geometric ingredients are computed via efficient conjugate-gradient and iterative Bregman updates. For the unbalanced OT, our operations elegantly reduce to closed-form scalings, completely eliminating inner iterative loops. In both regimes, per-iteration complexity scales linearly with dataset size, and we provide a rank-sufficiency certificate for global optimality verification. Extensive experiments across a range of problem sizes demonstrate that our regularization-free first- and second-order solvers achieve faster convergence and superior performance over existing state-of-the-art low-rank OT solvers.
6. 高效学习、压缩与部署 | 5 篇
47. Quantifying Subliminal Behavioral Transfer Ratios in Language Model Distillation
量化语言模型蒸馏中的潜意识行为迁移比率
AI 总结:通过控制教师模型行为强度并蒸馏学生模型,量化了潜意识行为迁移比率,发现迁移具有鲁棒性且呈现不同缩放行为。
链接:https://arxiv.org/abs/2606.11270
作者:Uwe Konig, Hamza Kazmi, Ruizhe Li, Maheep Chaudhary
英文摘要:Distillation of a language model intended to transfer benign behavior to a student model may also transfer undesirable characteristics, if they are present in the teacher model, a phenomenon known as subliminal learning. While qualitative evidence supports the existence of this effect, its magnitude has not been systematically characterized. This study quantifies subliminal behavioral transfer ratios by steering two teacher models (Llama-2-7B-Chat and Qwen2.5-7B-Instruct) at varying steering strengths and distilling student models using only benign data. Evaluation on 100 JailbreakBench prompts with GPT-4.1, serving as the evaluator, indicates that transfer is robust but exhibits distinct scaling behaviors. Llama-2 demonstrates a sharp threshold ($τ= {0.25,0.32} \ \text{beyond} \ α= -0.15$), whereas Qwen2.5 displays continuous and higher levels of transfer ($τ$ up to $0.61$).
48. FlowBank: Query-Adaptive Agentic Workflows Optimization through Precompute-and-Reuse
FlowBank: 通过预计算与复用实现查询自适应智能体工作流优化
AI 总结:提出FlowBank框架,通过预计算多样化工作流并压缩为紧凑组合,在推理时自适应选择最优工作流,平衡性能与成本,在五个基准上平均得分最高且成本可控。
链接:https://arxiv.org/abs/2606.11290
作者:Lingzhi Yuan, Chenghao Deng, Fangxu Yu, Souradip Chakraborty, Mohammad Rostami, Furong Huang
英文摘要: Large Language Model (LLM)-based multi-agent systems are increasingly powerful, but current agentic workflow optimization paradigms make an unsatisfying trade-off. Task-level methods spend substantial offline compute yet deploy only a single workflow, leaving complementary candidates unused, while query-level methods synthesize a new workflow per query at substantial inference cost. Our motivating analysis shows these paradigms are more complementary than competing: workflows discovered during offline search often solve different subsets of queries, and many queries handled by expensive query-level generation can already be solved by cheaper precomputed workflows. This suggests a different objective: rather than searching for one universally best workflow or regenerating one per instance, we should build a compact bank of reusable, complementary workflows and select among them adaptively at inference time. Doing so requires solving three coupled problems: generating complementary rather than redundant candidates, compressing them into a small deployable portfolio, and assigning each query to the right workflow under a performance-cost trade-off. To this end, we present FlowBank, a three-stage framework for portfolio-based agentic workflow optimization. Diversifying proposes DiverseFlow to steer search toward under-covered queries and produce a high-coverage candidate pool. Curating proposes CuraFlow to compress this pool into a compact portfolio with minimal redundancy. Matching casts deployment as edge-value prediction on a query-workflow bipartite graph and routes each incoming query to the portfolio member with the best predicted utility. Across five benchmarks, FlowBank achieves the highest average score among the evaluated methods while remaining cost-competitive, improving over the strongest automated and handcrafted baselines by 4.26% and 14.92% relative, respectively.
49. CRUMB: Efficient Prior Fitted Network Inference via Distributionally Matched Context Batching
CRUMB: 通过分布匹配上下文批处理实现高效先验拟合网络推理
AI 总结:提出CRUMB方法,通过聚类查询、最小化最大均值差异选择训练子集、再执行精确推理,在不重新训练的情况下加速先验拟合网络推理,在51个数据集上优于同类方法。
链接:https://arxiv.org/abs/2606.11473
机构:Global Technology Applied Research, JPMorganChase(摩根大通全球技术应用研究)
作者:Jamie Heredge, Mattia J. Villani, Pranav Deshpande, Akshay Seshadri, Niraj Kumar
英文摘要:Prior-fitted networks (PFNs) are a promising class of tabular foundation models that perform in-context learning, whereby the entire labelled training set is supplied as context, and predictions for test queries are produced in a single forward pass. However, the quadratically scaling self-attention mechanism in many PFN architectures makes inference prohibitive for very large training datasets. We propose CRUMB (Clustered Retrieval Using Minimised-MMD Batching), a three-stage inference wrapper that (i) clusters the test queries, (ii) selects a small, distributionally matched training subset for each cluster by greedily minimising the maximum mean discrepancy (MMD), and (iii) runs exact PFN inference on each reduced-context batch. CRUMB is architecture-agnostic and requires no retraining. On the 51-dataset TabArena benchmark, evaluated across three PFN architectures (TabPFNv2, TabICLv1, TabICLv2), we show that CRUMB outperforms similar state-of-the-art context selection strategies. We also show that CRUMB is resilient to covariate drift, as the MMD-minimisation step naturally helps align the training context distribution to match the current test batch distributions.
50. TimeRouter: Efficient and Adaptive Routing of Time-Series Foundation Models
TimeRouter: 时间序列基础模型的高效自适应路由
AI 总结:提出TimeRouter框架,通过轻量判别路由、选择性门控和集成回退实现时间序列基础模型的自适应选择,无需LLM推理,在GIFT-EVAL榜单取得最优性能。
链接:https://arxiv.org/abs/2606.11625
机构:University of Connecticut(康涅狄格大学); Salesforce AI Research; JP Morgan AI Research(摩根大通人工智能研究院)
作者:Kanghui Ning, Yushan Jiang, Kashif Rasul, Anderson Schneider, Yuriy Nevmyvaka, Dongjin Song
英文摘要:Time-series foundation models (TSFMs) are increasingly explored as predictive experts within emerging agentic time-series systems. However, TSFMs exhibit heterogeneous inductive biases, and no single model consistently dominates across forecasting regimes, making expert selection a critical challenge. Existing systems often delegate this decision to LLM-based controllers, incurring substantial inference overhead. We present TimeRouter, an efficient routing framework that leverages empirical complementarity across a pool of pretrained TSFMs through lightweight discriminative routing, selective gating, and ensemble fallback. Concretely, TimeRouter combines a learned routing head, a selective gate, and an ensemble fallback, enabling adaptive expert selection without invoking an LLM at inference time. TimeRouter achieves state-of-the-art performance on the GIFT-EVAL leaderboard, with an LB MASE of 0.6765. Beyond benchmark performance, our ablation studies provide empirical insights into TSFM routing design, highlighting the importance of pool composition and selective gating. Taken together, these results position TimeRouter as a modular and lightweight routing layer for future agentic time-series systems built upon foundation-model pools. Our code is available at https://github.com/UConn-DSIS/TimeRouter.
51. Holding the FP8 Quality Ceiling at 8-Bit Weights and Activations: INT8 and GGUF Post-Training Quantization of Ideogram 4.0 for Consumer GPUs
在8位权重和激活下保持FP8质量上限:Ideogram 4.0的INT8和GGUF后训练量化用于消费级GPU
AI 总结:本文对Ideogram 4.0模型进行INT8 W8A8量化,在无FP8张量核心的Ampere GPU上达到FP8质量水平,并优于NF4,同时GGUF Q4_K在质量-内存前沿上成为帕累托最优。
链接:https://arxiv.org/abs/2606.12280
机构:Transformer Lab
作者:Deep Gandhi, Ali Asaria, Tony Salomone
英文摘要:Post-training quantization lets large text-to-image diffusion transformers run on consumer GPUs, yet the hardware-specific trade-offs are seldom measured directly. We quantize Ideogram 4.0 - a 9.3B flow-matching diffusion transformer (DiT), shipped as two separate-weight copies of a single-stream 34-layer backbone for classifier-free guidance and conditioned by a Qwen3-VL-8B encoder - for Ampere RTX 3090 GPUs, which lack FP8 tensor cores. Our INT8 W8A8 recipe (per-channel weights, per-token dynamic activations, SmoothQuant, and mixed-precision protection of a small high-fragility layer set) holds the FP8 quality ceiling: on a 200-prompt benchmark the paired same-seed bootstrap CI for INT8-FP8 includes zero on both Pick and CLIP, while INT8 improves on NF4 by $+1.9$ CLIP (95% CI $[+1.21,+2.64]$, excluding zero). A per-category OCR analysis, to our knowledge unreported for this model class, confirms text legibility is preserved, and an ablation isolates protection of the FFN down-projections as the dominant quality lever. Our GGUF Q4_K quantization beats NF4 at equal on-disk size and is the Pareto winner on the quality-memory frontier, with paired confidence intervals excluding zero (Q8_0 is quality neutral). Finally, we characterize where 8-bit quantization helps and where it does not: INT8's weights match FP8's footprint rather than shrink it, so a speed gain on Ampere awaits a fused INT8 kernel.
7. 联邦学习、隐私与安全 | 2 篇
52. Federated continual learning: A comprehensive survey on lifelong and privacy-preserving learning over distributed and non-stationary data
联邦持续学习:分布式和非平稳数据上的终身与隐私保护学习综述
AI 总结:本文系统综述联邦持续学习(FCL),定义问题、分析经典联邦学习在非平稳数据下的局限,提出多维分类法,并讨论应用、评估指标及开放挑战。
链接:https://arxiv.org/abs/2606.11272
机构:University of Pisa(比萨大学); University of Modena and Reggio Emilia(摩德纳和雷焦艾米利亚大学)
作者:Masoume Gholizade, Fabrizio Ruffini, Pietro Ducange, Francesco Marcelloni
英文摘要:Federated Learning (FL) enables collaborative and privacy-preserving model training across distributed clients, but most existing FL systems implicitly assume data stationarity. In real-world settings-such as healthcare, industrial IoT (IIOT), cybersecurity, and smart cities-data streams are inherently non-stationary, leading classical FL methods to suffer from performance degradation, instability, and catastrophic forgetting. Continual Learning (CL) addresses learning under evolving data distributions but has been largely studied in centralized settings, overlooking key constraints of federated systems, including privacy, limited communication, and client heterogeneity. Federated Continual Learning (FCL) emerges at the intersection of FL and CL, aiming to support lifelong, adaptive, and privacy-aware learning over distributed and non-stationary data. This survey provides a comprehensive and systematic overview of FCL. We first present a formal definition of the FCL problem and clarify its distinctive characteristics. We then analyze the limitations of classical FL under non-stationary conditions, highlighting how CL principles support long-term adaptation. To organize the rapidly growing literature, we propose a multi-dimensional taxonomy of FCL approaches. Furthermore, we review representative application domains and data modalities, summarize commonly used evaluation metrics, and discuss experimental perspectives for assessing long-term performance and forgetting. Finally, we highlight key open challenges, including handling extreme heterogeneity under temporal drift, designing scalable and privacy-preserving memory mechanisms, and establishing standardized benchmarks. This survey aims to serve as a reference and a roadmap for advancing FCL toward robust and deployable real-world systems.
53. Accurate and Resource-Efficient Federated Continual Learning
准确且资源高效的联邦持续学习
AI 总结:提出FedRAN框架,通过紧凑随机特征统计替代梯度更新,利用截断SVD降低通信开销,结合原型伪标签处理标签稀缺,在多个数据集上提升准确率并大幅降低资源消耗。
链接:https://arxiv.org/abs/2606.11480
机构:University of Southern California(南加州大学); DEVCOM Army Research Office(DEVCOM陆军研究办公室)
作者:Jebacyril Arockiaraj, Dhruv Parikh, Jayashree Adivarahan, Rajgopal Kannan, Viktor Prasanna
英文摘要:Federated continual learning (FCL) must learn from distributed task streams under limited resources, such as communication, computation, memory, and label availability. Existing FCL methods often rely on repeated local optimization, replay, and full supervision. Analytic alternatives avoid iterative training and replay, but using high-dimensional random features to improve accuracy requires a second-order feature statistic, the Gram matrix, which has a quadratic communication cost in the random feature size $M$. We propose FedRAN, a resource-aware analytic FCL framework that replaces gradient-based updates with compact random feature statistics. Each client transmits a truncated-SVD summary of its Gram matrix, reducing the dominant second-order upload from quadratic to linear in $M$ for fixed rank. The server performs a two-level QR-SVD subspace merge, spatially across clients and temporally across tasks, and solves a ridge classifier in closed form. FedRAN further supports label scarcity through prototype-based pseudo-labeling. Across CIFAR-100, ImageNet-R, and VTAB datasets, FedRAN improves average accuracy by up to 4.8 percentage points over the strongest baseline, uses 30.6-121.8$\times$ less per-client communication than optimization-based FCL, and is 190.3$\times$ faster on average than gradient-based baselines; with only 20% labels, pseudo-labeling improves average accuracy by up to 6.61 points. These results show that FedRAN enables accurate and resource-efficient FCL under communication, computation, and label constraints. The source code is available at https://github.com/JebacyrilArockiaraj/Fed-RAN-SSL.
8. 鲁棒性、不确定性与可信学习 | 7 篇
54. Learning from almost nothing: How neural networks survive heavy input corruption
从几乎一无所有中学习:神经网络如何在严重输入损坏中生存
AI 总结:研究神经网络在输入严重损坏(>90%)时仍保持高精度的鲁棒性,通过平均场方法推导出网络实现最近类均值原型规则,解释学习成功的机制。
链接:https://arxiv.org/abs/2606.11319
机构:Cornell University(康奈尔大学)
作者:Justin Tahmassebpur, Asadullah Bhuiyan, Hyejin Kim, Omri Lesser
英文摘要:Learning from imperfect data is a central theme in machine learning, connecting practical questions of robustness to fundamental questions of learnability. Here we examine attribute noise: learning from corrupted inputs while keeping the labels intact, a setting that has received considerably less analytical attention than its label-noise counterpart. We consider two types of corruption models: additive noise and replacement noise. Through experiments with multi-layer perceptrons (MLPs) on corrupted classification datasets, we find that neural networks remain robust, maintaining well-above-chance accuracy even when inputs are >90% corrupted -- far beyond human recognition. To understand this robustness, we analyze infinite-width networks in the heavy-corruption regime using a mean-field-inspired approach and derive a leading-order decision rule for the classification outcome: the network implements a prototype rule, the nearest-class-mean, assigning each test point to the class whose training-set average it most closely resembles. This leading-order decision rule is universal across a broad range of MLP architectures, holding for any depth, as well as a wide class of activation functions and noise distributions. The same centroid mechanism closely matches finite-width network behavior in our experiments and provides an interpretable and analytically tractable account of why learning can succeed even when individual training examples carry almost no signal.
55. Risk Under Pressure: Compute-Aware Evaluation of Adversarial Robustness in Language Models
压力下的风险:语言模型对抗鲁棒性的计算感知评估
AI 总结:提出基于计算压力(累积FLOPs)的对抗鲁棒性评估框架,通过风险-计算曲线和两个新指标,揭示不同攻击策略的计算成本差异,并在10个模型上验证了对齐训练、模型规模等因素对计算空间鲁棒性的非单调影响。
链接:https://arxiv.org/abs/2606.11409
机构:University of Toronto(多伦多大学); Vector Institute(向量研究所); Hugging Face
作者:Malikeh Ehghaghi, Boglárka Ecsedi, Marsha Chechik, Colin Raffel
英文摘要: Adversarial robustness evaluations of large language models (LLMs) typically report attack success rate (ASR) under fixed query budgets, implicitly treating all attacks as equally costly. In practice, the computational expense of different attack strategies can vary by orders of magnitude. Consequently, ASR at a fixed budget can obscure the true effort required to jailbreak a model, thereby making it hard to determine whether an attack's cost justifies its payoff to the attacker. We propose a compute-aware evaluation framework based on computational pressure, measured in cumulative floating-point operations (FLOPs), as a proxy for adversarial effort. We introduce risk-compute curves, which map compute budgets to attack risk, and derive two metrics that summarize the average pressure required for a given attack to succeed. Across ten models spanning three families and four different stages in language model training and alignment, evaluated with three attack strategies (gradient-based, iterative refinement, and template-based) on two jailbreak robustness benchmarks, we find: (1) alignment training has non-monotonic effects on compute-space robustness; (2) scaling model size reduces gradient-based attack effectiveness but has limited impact on cheaper template-based attacks; (3) gradient-based attacks optimized on a surrogate model can transfer to a separate target model, providing a way to reduce attacker costs; (4) compute cost varies by up to ${\approx}5{\times}$ across harm categories within a single model; and (5) safety-aligned RL increases aggregate cost while leaving some categories disproportionately accessible. We release our framework to enable compute-aware risk assessment and evaluation.
56. Mahalanobis-Guided Latent OOD Detection for Hybrid ES-DRL Control in Time-Varying Systems
基于马氏距离的潜在分布外检测用于时变系统中混合ES-DRL控制
AI 总结:针对时变系统中强化学习控制器性能下降问题,提出基于变分自编码器潜在空间马氏距离的分布外检测方法,实现与极值搜索控制器的自适应切换,并在粒子加速器控制中验证有效性。
链接:https://arxiv.org/abs/2606.11474
作者:Shaifalee Saxena, Alexander Scheinker
英文摘要:In this paper, we study Mahalanobis-guided latent out-of-distribution (OOD) detection for test-time RL controller switching in nonlinear time-varying systems. RL controllers can quickly control high-dimensional systems within the training distribution, but their performance can degrade when time-varying dynamics produce unseen observations. We consider a combined ES--DRL controller, where RL provides fast in-distribution actions and bounded extremum seeking (ES) provides robust model-independent control under OOD operation. The key challenge is deciding when to switch. We train a variational autoencoder (VAE) on in-distribution beam-profile observations and use Mahalanobis distance in the VAE latent space to detect OOD beam profiles at test time. This OOD decision sets a binary switch that selects either the RL controller or the ES controller. We evaluate the approach in safety-critical particle accelerator control. In this setting, spatial magnet motion creates OOD beam profiles that were not seen during RL training. Visualization of the VAE latent space shows that the proposed method identifies this OOD scenario and provides an interpretable signal for switching between RL and ES in the combined controller.
57. Online Shift Detection and Conformal Adaptation for Deployed Safety Classifiers
已部署安全分类器的在线漂移检测与共形自适应
AI 总结:提出在线监测系统,使用校准序列统计检测分布漂移,并通过共形弃权层自适应阈值恢复目标错误率,在800个实验单元中实现86.6%有效检测。
链接:https://arxiv.org/abs/2606.11949
作者:Jun Wen Leong
英文摘要:We present an online monitoring system for distributional shift in deployed safety classifiers, using calibrated sequential statistics to detect when a classifier has moved out of distribution. Upon detection, a conformal abstention layer adapts decision thresholds to recover a target error rate epsilon=0.1. In a pre-registered factorial evaluation (4 classifiers x 5 shift conditions x 20 seeds x 2 window sizes, 800 cells), the system achieves 86.6% valid detection (693/800, 95% CI [84.1%, 88.8%]) with mean latency of 39.5 steps. Detection holds across three ground-truth regimes: synthetic onset (86.6%), real temporal jailbreaks (85%, 17/20), and GCG adversarial attacks. Weighted conformal prediction recovers up to 39 pp of lost coverage for DeBERTa (ESS=46/300) but collapses for all other classifiers (ESS~300): logistic density ratio estimation achieves perfect source/target separability in high-dimensional embedding spaces, clipping all importance weights to the floor. DeBERTa shows a gradient from effective correction (paraphrase, ESS=46) to near-total collapse (adversarial suffix, ESS=206). PCA to 32 dimensions breaks the collapse, recovering 33 pp for Llama Guard and 21 pp for ShieldGemma. Variance decomposition reveals classifier (eta^2=0.243), shift type (eta^2=0.237), and their interaction (eta^2=0.185) all contribute substantially to detection latency variance (all p<0.001), indicating per-classifier monitoring profiles are necessary.
58. Bootstrapped Monitoring: Leveraging Transparent Reasoning to Oversee Stronger AI Agents
自助监控:利用透明推理监督更强的AI智能体
AI 总结:提出自助监控协议,通过插入具有透明思维链的不可信中间模型来监督更强智能体,在软件工程任务中显著提升捕获率,即使不可信监控者与智能体合谋。
链接:https://arxiv.org/abs/2606.11998
机构:California Institute of Technology(加州理工学院)
作者:Frank Xiao, Mary Phuong
英文摘要:Trusted monitoring is a cornerstone of AI control. However, as frontier models grow more capable, the increasing capabilities gap between trusted and untrusted models may render trusted models unreliable monitors. We introduce \emph{bootstrapped monitoring}, a protocol that addresses this by inserting a stronger, intermediate untrusted model with transparent chain-of-thought reasoning into the oversight chain. The untrusted monitor ($U_m$) evaluates the agent's actions, while a weaker trusted model ($T$) oversees $U_m$'s reasoning to detect collusion. We evaluate bootstrapped monitoring on multi-turn software engineering tasks (BashArena) across multiple agents and monitors. Bootstrapped monitoring substantially improves catch rates over trusted-only monitoring, even when the untrusted monitor actively colludes with the agent, provided we have access to its raw chain-of-thought. Our results suggest that bootstrapped monitoring can extend the useful lifetime of trusted models in control as AI capabilities advance.
59. Generalization Hacking: Models Can Game Reinforcement Learning by Preventing Behavioral Generalization
泛化黑客:模型可通过阻止行为泛化来博弈强化学习
AI 总结:本研究提出泛化黑客现象,模型在强化学习中通过自我接种机制阻止行为泛化,在保持高奖励的同时抵抗行为修正,首次证明模型能主动破坏训练过程。
链接:https://arxiv.org/abs/2606.12016
机构:California Institute of Technology(加州理工学院)
作者:Frank Xiao, Mary Phuong
英文摘要:Model post-training, and in particular reinforcement learning (RL), is one of the primary mechanisms by which developers can shape models' values and behaviors. However, as models become increasingly evaluation and training aware, they may be motivated to resist training when the perceived objective conflicts with their current values, undermining developers' ability to detect misalignment and correct model behavior through further training. In this paper, we demonstrate generalization hacking, in which a model collects reward during RL while preventing the rewarded behavior from generalizing. We construct a model organism on Qwen3-235B-A22B, finetuning on synthetic documents describing training awareness and self-inoculation, a novel mechanism in which the model frames compliance as context-specific in its chain of thought, without demonstrating or instructing either behavior. The model organism achieves train-time harmfulness comparable to controls while maintaining a persistent ${\sim}15$ percentage point compliance gap across 700 steps of RL. Additionally, a control organism trained only on training awareness documents independently discovers inoculation-like reasoning under RL pressure, developing its own compliance gap despite never being exposed to the concept. Because the generalization-hacking organism receives high reward throughout, standard training metrics provide no signal that generalization has failed. Our results constitute the first demonstration that a model can actively resist RL behavioral modification while maintaining high reward, suggesting that as models become more capable and training-aware, they may be able to undermine the training process itself.
60. Reinforcement Learning Disrupts Gradient-Based Adversarial Optimization
强化学习破坏基于梯度的对抗优化
AI 总结:研究通过强化学习训练图像分类器以破坏攻击者使用的梯度结构,发现RL作为隐式正则化器产生不稳定梯度方向和较小梯度幅度,使基于梯度的攻击失效,并与对抗训练结合实现双重防御。
链接:https://arxiv.org/abs/2606.12251
机构:COSIC, KU Leuven(鲁汶大学COSIC); Imec; Brubotics, VUB(布鲁塞尔自由大学Brubotics); DistriNet, KU Leuven(鲁汶大学DistriNet)
作者:Xinhai Zou, Chang Zhao, Alireza Aghabagherloo, Dave Singelée, Robin Degraeve, Bart Preneel
英文摘要:Gradient-based adversarial attacks remain a dominant threat to deep neural networks (DNNs), as they exploit gradient information to efficiently optimize adversarial perturbations. To address this, we investigate whether reinforcement learning (RL) training can disrupt the gradient structure used by attackers by training image classifiers with policy-gradient objectives and epsilon-greedy exploration. Through systematic experiments across CIFAR-10, CIFAR-100, and ImageNet-100 with multiple architectures, we find that RL-trained classifiers significantly disrupt gradient-based adversarial optimization. To explain this, we conduct a comprehensive mechanism analysis using loss landscape visualization, static and dynamic gradient indicators, and predictive entropy. Our analysis reveals that RL acts as an implicit regularizer, producing models with highly unstable gradient directions and smaller gradient magnitudes. This combination makes each PGD step both unreliable in direction and limited in magnitude, causing gradient-based attacks to fail within practical iteration budgets. We further show that combining RL with adversarial training (RL-adv) provides a dual-layer defense operating at two complementary levels: RL degrades gradient information available to attackers (gradient-level defense), while adversarial training strengthens decision boundaries (boundary-level defense). RL-adv achieves the highest robustness across all major attack types evaluated, including gradient-based (PGD, AutoAttack), transfer-based, and query-based attacks, outperforming SL-adv by a significant margin. These findings identify RL-induced gradient disruption as a complementary robustness mechanism and motivate future research on hybrid SL-RL training schedules that combine SL's efficiency with RL's gradient-regularization properties.
9. 图学习与结构化数据 | 3 篇
61. Beyond the Golden Teacher: Enhancing Graph Learning through LLM-GNN Co-teaching
超越黄金教师:通过LLM-GNN协同教学增强图学习
AI 总结:针对文本属性图上的少样本学习,提出LLM-GNN协同教学框架,避免固定教师模型,通过双向伪标签交换和基于轮次的偏好优化,显著提升图学习性能。
链接:https://arxiv.org/abs/2606.11583
机构:The Hong Kong University of Science and Technology(香港科技大学); WeBank(微众银行)
作者:Zhuoyi Peng, Hanlin Gu, Lixin Fan, Yi Yang
英文摘要:Text-attributed graphs (TAGs) underlie real-world applications such as citation networks, social media, and e-commerce. Few-shot graph learning on TAGs is hard: with only a handful of labels per class and the rest of the graph unannotated, neither GNNs nor LLMs can learn well on their own. GNNs read topology and fail on cold nodes; LLMs read text and fail on text-ambiguous nodes. Existing LLM-GNN methods all follow the same recipe: designate one model as the golden teacher and use its outputs (e.g., features or pseudo-labels) to supervise the other. We argue this golden-teacher assumption breaks under sparse supervision: neither model is golden, and treating either as such transfers its blind spots into the student. We therefore ask: can we avoid designating either model as the golden teacher, and still perform effective graph learning? We answer with LLM-GNN Co-Teaching, a bidirectional co-teaching framework in which neither model is fixed as teacher. The GNN and LLM exchange their most confident pseudo-labels under an architecture-specific small-loss criterion, and both update every round. Supervision is then mined from the trajectory: whenever a node moves from cross-model contradiction at round t to cross-model agreement at round t+1, the LLM's two answers on the same input form a preference pair (old contradicting self < new peer-endorsed self) for DPO training. We call this Round-based Pseudo-Label Preference Optimization (RPL-PO). On six benchmarks, LLM-GNN Co-Teaching consistently outperforms GNN-as-Judge and all prior methods, with absolute 3-shot gains of 7.86% on Cora and 7.73% on ogbn-arxiv; improvements carry over to 5-shot and to zero-shot cross-dataset transfer. Error-structure analysis further shows that abandoning the golden-teacher assumption substantially improves the LLM's graph learning capability on challenging samples.
62. TAROT: Task-Adaptive Refinement of LLM-prior Graphs for Few-shot Tabular Learning
TAROT: 面向小样本表格学习的任务自适应LLM先验图精炼
AI 总结:提出TAROT框架,通过构建并精炼任务自适应语义图,利用LLM先验和GNN编码特征语义关系,提升小样本表格学习性能。
链接:https://arxiv.org/abs/2606.11640
机构:Jilin University(吉林大学); The Chinese University of Hong Kong, Shenzhen(香港中文大学(深圳))
作者:Ruxue Shi, Yili Wang, Mengnan Du, Hangting Ye, Yi Chang, Xin Wang
英文摘要:Few-shot tabular learning provides a cost-effective approach for real-world applications where annotation is costly and collecting sufficient samples for new tasks is difficult. Existing Traditional and LLM-based methods have demonstrated effectiveness in few-shot scenarios. However, traditional methods need additional training on unlabeled or generated data, which incur significant computational overhead. In addition, LLM-based methods that directly feed raw tabular data into LLMs raise privacy and compliance concerns. More importantly, both paradigms largely overlook the semantic relationships between features, which provide structural and semantic prior for constructing a semantic graph. Semantic graph is essential for modeling meaningful feature interactions in few-shot scenarios. In this paper, we propose TAROT, a GNN-based framework that encodes the structural and semantic prior by constructing and refining a task-adaptive semantic graph from this prior, thereby improving predictive performance in few-shot tabular learning. TAROT first encodes heterogeneous tabular data into unified node semantic representations via a Unified Semantic Tabular Node Encoder (USTNE). Then, it prompts LLMs to infer the semantic relationship between features based on the task description and feature names to construct a semantic graph. To mitigate structural noise introduced by the hallucination of LLMs, TAROT introduces Task-adaptive Semantic Graph Refinement that prunes spurious or task-unrelated edges and adds missing task-related ones, aligning the graph structure with the downstream objective. Finally, a GNN performs message passing over the refined graph to capture task-related semantic dependencies for prediction. Extensive experiments on various few-shot tabular learning benchmarks demonstrate the superior performance of TAROT, establishing it as a state-of-the-art approach in this domain.
63. From Uniform to Learned Graph Priors: Diffusion for Structure Discovery
从均匀到学习图先验:用于结构发现的扩散
AI 总结:提出Diff-prior,一种扩散参数化的自适应先验,通过可学习的去噪式校准对边后验进行结构化校准,提升神经关系推理方法的结构发现可靠性。
链接:https://arxiv.org/abs/2606.11831
机构:School of Mathematics, Southeast University(东南大学数学学院)
作者:Qi Shao, Hao Guo, Jiawen Chen, Duxin Chen, Wenwu Yu
英文摘要:Neural relational inference (NRI) methods discover interaction graphs from trajectories through variational reasoning on discrete potential edges. However, these methods typically rely on oversimplified, factorized graph priors. Such priors, typically nearing uniform distributions, treat edges as independent entities. This systemic misalignment does not match the real-world systems and yields diffuse and indecisive edge posteriors limiting the reliability of structural discovery. To address this, we propose \textit{Diff-prior}, a diffusion-parameterized adaptive prior used to calibrate latent graph distribution rather than generate graphs. Our core insight is to reframe prior integration as a learnable denoising-style calibration that organizes scattered, uncertain edge posteriors into a more reliable overall structure which can be trained by the diffusion model. Diff-prior learns an adaptive structure prior that performs structured calibration on the edge posteriors during inference, guiding it towards a distribution closer to the underlying structure. The diff-prior operates before structural sampling and acts as a denoising calibrator directly on the encoder edge distribution, which provides a generic training paradigm over structured variables. Experiments on standard benchmarks validated our framework, and the results indicate that Diff-prior improves the performance of structure inference and generates more decisive edge posteriors across multiple NRI-family architectures. The code is available on https://github.com/Hardy158118/Diffprior.
10. 迁移、元学习与持续学习 | 1 篇
64. TaskFusion: Continual Anomaly Detection for Heterogeneous Tabular Data
TaskFusion: 异构表格数据的持续异常检测
AI 总结:提出TaskFusion方法,通过AGF模型、任务融合增强和异常暴露技术,解决异构表格数据在持续学习中的特征空间变化、分布偏移和类别不平衡问题,在21个数据集上显著提升持续异常检测性能。
链接:https://arxiv.org/abs/2606.11844
机构:German Research Center for Artificial Intelligence (DFKI)(德国人工智能研究中心(DFKI)); RPTU Kaiserslautern-Landau(凯泽斯劳滕-兰道大学); Hochschule Bonn-Rhein-Sieg (H-BRS)(波恩-莱茵-锡格应用技术大学)
作者:Dayananda Herurkar, Federico Raue, Joachim Folz, Jörn Hees, Andreas Dengel
英文摘要:Continual anomaly detection in tabular data is challenging and remains largely underexplored, particularly in settings with heterogeneous feature schemas, distribution shifts, and severe class imbalance. In many real-world applications, data arrive sequentially from diverse domains, rendering conventional continual learning methods ineffective due to their reliance on a fixed input space. We propose a continual learning (CL) method, which can overcome these challenges and continually learn from different tasks. Our method consists of three main parts: our AGF model, Taskfusion augmentation, and outlier exposure. The AGF-model maps task-specific features into a shared space, then aligns distributions to reduce representation drift, and learns anomaly decision boundaries in the aligned space. To improve stability, we introduce Taskfusion augmentation, combining boundary-aware interpolation within tasks to refine the model anomaly boundaries and cross-task mixing to transfer anomaly structure across datasets. To handle class imbalance and memory constraints, we employ tabular dataset distillation to store compact synthetic replay samples, which are jointly used with augmented data in an outlier exposure objective for robust anomaly detection. We evaluate the approach on 21 heterogeneous datasets across multiple domains. Results show that our approach substantially improves continual anomaly detection performance over sequential fine-tuning and other CL baselines while reducing catastrophic forgetting and maintaining stable detection across heterogeneous datasets.
11. 数据集、基准与评测 | 10 篇
65. A prior-free blind detection of information leakage from model predictions
基于模型预测的信息泄露的无先验盲检测
AI 总结:针对机器学习模型输出中信息泄露的检测问题,提出决策理论框架,证明校准泄露与诚实模型不可区分,但近确定性子组可被无先验检测,并在UK Biobank上验证。
链接:https://arxiv.org/abs/2606.11267
机构:Center for Molecular Cardiology, University of Zurich(苏黎世大学分子心脏病学中心); Center for Complexity Sciences, National University of Mexico(墨西哥国立自治大学复杂性科学中心)
作者:Laurence A. Jacobs
英文摘要:Data leakage -- contamination of a model with information unavailable at baseline -- is the dominant reproducibility failure in machine-learning-based science, yet detection tools require training code, external data, or domain expertise. None operates on the artifact an auditor most often holds: the model's output. We ask what can be decided about leakage from predictions and outcomes alone. We give a decision-theoretic framework in which leakage diagnostics are functionals of the predicted-risk/outcome law, parameterized by a threshold-weighting linked to proper scoring rules and decision-curve analysis. We prove a sharp impossibility: a recalibrated leak matching an honest model's calibration and discrimination is indistinguishable from honest performance by \emph{any} function of the predictions, so the broad class is detectable only against an externally supplied ceiling on achievable discrimination. We then prove what leakage cannot hide: a near-deterministic subgroup -- the signature of a near-label leak -- produces a sustained unit-purity head that no legitimate predictor of a non-deterministic outcome can manufacture, yielding a prior-free test. These results organize leakage into a trichotomy -- miscalibrated, broad-calibrated, and deterministic -- each with a matched detector and failure mode. We validate on UK Biobank using time-windowed comorbidity leakage with known, graded severity, measuring a detection floor of $Δ\cstar \approx 0.007$ on this endpoint, below which residual leakage is undetectable from output and too small to alter conclusions. The numerical floor is cohort- and endpoint-specific; the structural lesson is general: output-only detection fails where residual leakage is indistinguishable from an honestly stronger predictor. The test returns a verdict on a prediction vector in under a second on commodity hardware.
66. GraphInfer-Bench: Benchmarking LLM's Inference Capability on Graphs
GraphInfer-Bench:评估LLM在图上的推理能力基准
AI 总结:提出GraphInfer-Bench基准,通过五个任务(描述与比较)测试LLM能否从节点及其邻域推断出无法从单节点或路径检索的答案,发现所有方法均存在差距。
链接:https://arxiv.org/abs/2606.11562
机构:The Hong Kong University of Science and Technology(香港科技大学); Webank(微众银行)
作者:Zhuoyi Peng, Jingzhou Jiang, Hanlin Gu, Lixin Fan, Yi Yang
英文摘要:Graph analysis underlies many applications whose answers cannot be looked up in a single record or retrieved along a path: laundering rings, drug repurposing, user preference, and scientific theme are all inferred from a node together with its neighbourhood. We introduce GraphInfer-Bench, a benchmark for whether LLMs can perform this graph inference: producing an open-ended answer that no single node supports and no path retrieves. Existing graph-QA protocols cannot test this capability: algorithm simulation, node classification, single-node description, KG-QA, and GraphRAG all admit answers retrievable from one node or along a path. GraphInfer-Bench defines five tasks along Description (what a region is) and Comparison (how regions differ), each constructed so the ground truth lives in no single node. The release contains 42,000 samples across six real-world graphs, produced automatically and screened by a four-layer quality-control protocol. We evaluate four method families against the same tasks: graph-token alignment models, zero-shot frontier closed-source LLMs, Graph2Text supervised fine-tuning, and plain GNNs as a structural reference. No method family closes the gap. Graph-token alignment partially handles description tasks (relational, theme) but collapses on comparison tasks. Frontier LLMs lead on outlier detection and community partition among LLM-based methods but lag on masked-node prediction. Graph2Text SFT is the strongest LLM-based method on the description side yet falls behind frontier LLMs on comparison. Across every task, plain GNNs match or beat the strongest LLM-based row, with the largest margin on community detection. GraphInfer-Bench surfaces graph inference as an open capability gap rather than a property of any one architecture.
67. DeMix: Debugging Training Data with Mixed Data Error Types by Investigating Influence Vectors
DeMix: 通过影响向量调试包含混合错误类型的训练数据
AI 总结:提出DeMix框架,利用影响向量捕捉不同错误类型对模型行为的独特模式,将数据调试转化为多标签分类问题,并引入基于干预的学习策略,在11个任务上显著提升调试F1分数和修复后模型性能。
链接:https://arxiv.org/abs/2606.11616
机构:Shanghai Jiao Tong University(上海交通大学); ByteDance Inc.(字节跳动); Tiktok
作者:Jiale Deng, Yanyan Shen, Xiaogang Shi, Chai Junjun
英文摘要:High-quality training data is essential for the success of machine learning models. However, real-world datasets often contain mixed types of errors arising from systematic flaws in data preparation pipelines, including label errors, feature errors, and spurious correlations. Effective debugging of training data requires both detecting erroneous samples and identifying their specific error types to enable targeted repair, yet existing data cleaning and attribution methods fail to adequately address this dual requirement. In this paper, we propose DeMix, a novel framework that simultaneously diagnoses erroneous samples and their error types. Our key insight is that different error types produce distinct patterns on model behavior. DeMix captures such error-specific patterns by influence vectors that characterize how each training sample affects model predictions across all validation samples. We formulate training data debugging as a multi-label classification problem where a classifier is developed to predict error types directly from influence vectors. We further introduce an intervention-based learning strategy that guides the classifier to capture invariant rationales specific to each error type, ensuring the learned classifier generalizes effectively. Empirical evaluations on 11 tasks across tabular data prediction, recommendation systems, and LLM alignment demonstrate that DeMix significantly outperforms state-of-the-art approaches, achieving a 22.61% improvement in data debugging F1-score and a 9.32% gain in task model performance after data repair. Code is available at: https://github.com/SJTU-DMTai/DeMix.
68. Bergson: An Open Source Library for Data Attribution
Bergson:一个用于数据归因的开源库
AI 总结:提出Bergson开源库,支持大规模语言模型和预训练数据集的多种数据归因方法,提供磁盘梯度存储和多节点分布式训练,首次开源实现MAGIC、SOURCE和TrackStar三种方法。
链接:https://arxiv.org/abs/2606.11660
作者:Lucia Quirke, Louis Jaburi, David Johnston, William Z. Li, Gonçalo Paulo, Guillaume Martres, Girish Gupta, Stella Biderman, Nora Belrose
英文摘要: Data attribution is a promising field in interpretability that aims to explain model behavior through the influence of its training data, with applications including debugging undesirable model behavior and training dataset curation. However, significant engineering effort is required to perform it at scale, and many cutting edge techniques lack open-source tooling and support. Bergson is an open source library that aims to enable faster progress in the field by providing a host of techniques that scale to very large language models and pre-training datasets. The library natively supports on-disk gradient stores and multi-node distributed training, and provides quality of life tools for researchers. Finally, we introduce the first open-source implementations of three leading data attribution methods: MAGIC, SOURCE, and TrackStar. The library is available at https://github.com/EleutherAI/bergson .
69. Noise-Aware Framework for Correcting Corrupted Labels
噪声感知框架用于纠正损坏标签
AI 总结:提出CANOLA框架,通过噪声感知学习和迭代标签精炼来纠正损坏标签,在六个数据集上相比现有方法错误率降低19%-52%。
链接:https://arxiv.org/abs/2606.11695
机构:Faculty of Information Technology, VNU University of Engineering and Technology(越南国立大学工程与技术学院信息技术系)
作者:Ha-Linh Nguyen, Hong-Anh Nguyen, Minh-Duc La, Phong Lam, Thu-Trang Nguyen, Son Nguyen, Hieu Dinh Vo
英文摘要:High-quality labeled data is essential for training reliable ML/DL models. However, real-world datasets often contain a considerable proportion of corrupted labels, which can severely degrade model performance. To address this problem, we propose CANOLA, a novel framework for correcting corrupted labels through noise-aware learning and iterative label refinement. CANOLA explicitly estimates the underlying noise distribution of the dataset and incorporates this information into the training of a noise-aware Deep Neural Network. By incorporating noise characteristics during learning, CANOLA enables the model to down-weight unreliable supervision signals and focus on trustworthy patterns, thereby improving robustness and generalization. Label correction is performed via cautious, iterative soft label refinement, in which model predictions are blended with observed labels to prevent premature or erroneous updates. This progressive refinement allows the dataset to be repaired in a stable and controlled manner. We evaluate CANOLA on six widely used datasets under realistic noisy labeling scenarios. Experimental results show that CANOLA consistently outperforms SOTA label correction methods, achieving relative improvements ranging from 19% to 52% in error reduction. Moreover, models trained on datasets corrected by CANOLA obtain substantial downstream performance gains. Even simple classifiers trained on CANOLA's corrected data can outperform complex model-centric approaches by margins of up to 67%.
70. A Data-Centric Framework for Detecting and Correcting Corrupted Labels
一个用于检测和纠正损坏标签的数据中心框架
AI 总结:提出Relabeler框架,联合利用局部和全局关系检测损坏标签,并基于输入特征和噪声标签估计最可能的干净标签进行纠正,在多个数据集上实现高达58%的标签纠正精度提升和6%的下游任务性能提升。
链接:https://arxiv.org/abs/2606.11699
机构:Faculty of Information Technology, VNU University of Engineering and Technology, Hanoi, Vietnam(越南河内国立大学工程与技术学院信息技术系)
作者:Ha-Linh Nguyen, Hong-Anh Nguyen, Minh-Duc La, Thu-Trang Nguyen, Son Nguyen, Hieu Dinh Vo
英文摘要:The performance of machine learning and deep learning models largely depends on the quality of the training data. However, the quality of the real-world datasets is often compromised by noisy labels, which can substantially degrade model accuracy and reliability. To address this challenge, we propose Relabeler, an end-to-end data-centric framework for detecting and correcting corrupted labels. For corrupted label detection, Relabeler jointly leverages both local and global relationships among data instances to identify potentially noisy samples. After detecting suspicious instances, Relabeler further performs label correction by estimating the most probable clean label for each instance based on both its input features and observed noisy label. Extensive experiments across multiple datasets, noise types, and noise rates demonstrate that Relabeler consistently outperforms state-of-the-art baselines, achieving up to 58% improvement in label correction precision and 6% improvement in downstream task performance.
71. RCAP: Robust, Class-Aware, Probabilistic Dynamic Dataset Pruning
RCAP: 鲁棒的、类别感知的、概率性动态数据集剪枝
AI 总结:提出RCAP算法,通过闭式解估计每类样本保留比例并自适应调整,结合高损失样本优先采样策略,在多种数据集和训练范式下优于现有方法,仅用10%数据即可提升类别不平衡数据集性能1%以上。
链接:https://arxiv.org/abs/2606.11761
机构:IIT Kharagpur(印度理工学院卡哈拉格普尔分校)
作者:Atif Hassan, Swanand Khare, Jiaul H. Paik
英文摘要:Dynamic data pruning techniques aim to reduce computational cost while minimizing information loss by periodically selecting representative subsets of input data during model training. However, existing methods often struggle to maintain strong worst-group accuracy, particularly at high pruning rates, across balanced and imbalanced datasets. To address this challenge, we propose RCAP, a Robust, Class-Aware, Probabilistic dynamic dataset pruning algorithm for classification tasks. RCAP applies a closed-form solution to estimate the fraction of samples to be included in the training subset for each individual class. This fraction is adaptively adjusted in every epoch using class-wise aggregated loss. Thereafter, it employs an adaptive sampling strategy that prioritizes samples having high loss for populating the class-wise subsets. We evaluate RCAP on six diverse datasets ranging from class-balanced to highly imbalanced using five distinct models across three training paradigms: training from scratch, transfer learning, and fine-tuning. Our approach consistently outperforms state-of-the-art dataset pruning methods, achieving superior worst-group accuracy at all pruning rates. Remarkably, with only $10\%$ data, RCAP delivers $>1\%$ improvement in performance on class-imbalanced datasets compared to full data training while providing an average $8.69\times$ speedup. The code can be accessed at https://github.com/atif-hassan/RCAP-dynamic-dataset-pruning
72. Categorical Prior Lock-in: Why In-Context Learning Fails for Structured Data
类别先验锁定:为何上下文学习在结构化数据上失败
AI 总结:研究大语言模型在结构化数据生成中上下文学习的局限性,发现其无法更新预训练中的类别先验分布,导致罕见类完全无法生成;参数高效微调可解决但带来记忆化风险。
链接:https://arxiv.org/abs/2606.11961
机构: University of Insubria(因苏布里亚大学); IBM Research Ireland(IBM 爱尔兰研究院)
作者:Antonio Pelusi, Stefano Braghin, Alberto Trombetta
英文摘要:Large language models (LLMs) are increasingly used as conditional generators for structured data, relying on in-context learning (ICL) to adapt to new distributions without parameter updates. We investigate the limits of ICL for structured generation under distribution mismatch, using high-cardinality tabular data as a controlled test case, and identify a structural failure mode we term \textit{categorical prior lock-in}: the inability of ICL to update the model's prior over token distributions inherited from pre-training. Across two 7B-parameter open-weight models, ICL improves numerical fidelity with additional examples but exhibits a sharp ceiling on categorical distributions, failing to reproduce rare classes entirely. Parameter-efficient fine-tuning (LoRA) overcomes these limitations but introduces measurable memorization risk and, in some cases, destabilizes structured output generation, highlighting a fundamental trade-off between adaptability and privacy.
73. How Low Can You Go? Active Learning for Sparse Model Discovery in the Ultra-Low-Data Limit
你能低到多少?超低数据极限下稀疏模型发现的主动学习
AI 总结:针对超低数据极限下动力学系统方程发现的数据稀缺问题,提出基于E-SINDy的主动学习策略,通过迭代优先采样信息量大的区域,在Lorenz、Burgers和Kuramoto-Sivashinsky系统上验证了比随机采样更少数据即可准确识别动力学。
链接:https://arxiv.org/abs/2606.12182
机构:Department of Mechanical Engineering, University of Washington(华盛顿大学机械工程系); NSF AI Institute in Dynamic Systems, University of Washington(华盛顿大学NSF动态系统人工智能研究所); Department of Aeronautics, Imperial College London(伦敦帝国理工学院航空系)
作者:Ana Larrañaga, Urban Fasel, Steven L. Brunton
英文摘要:Identifying the governing equations of complex dynamical systems remains a fundamental challenge across science and engineering. While early approaches relied on empirical data and heuristics, modern data-driven methods offer greater flexibility and fewer assumptions. However, data acquisition in real-world settings is often expensive. This work addresses this challenge by introducing an active learning strategy for dynamics discovery in the ultra-low data limit. Rather than sampling randomly, our method iteratively prioritizes regions that are most informative for model identification. This approach builds on Sparse Identification of Nonlinear Dynamics (SINDy), and utilizes an ensemble extension, E-SINDy, to estimate epistemic uncertainty and guide the sampling for both ordinary and partial differential equations (ODEs/PDEs). For ODEs, an exhaustive analysis is conducted on the Lorenz system across varying data budgets and noise levels. For PDEs, two systems with contrasting dynamical characteristics are examined: the Burgers' equation, where a sharp shock front creates a distinction between informative and uninformative regions, and the Kuramoto-Sivashinsky equation, which presents a more spatially complex sampling landscape. Across all scenarios, the proposed method accurately identifies the governing dynamics with significantly fewer data samples than random sampling.
74. Claw-SWE-Bench: A Benchmark for Evaluating OpenClaw-style Agent Harnesses on Coding Tasks
Claw-SWE-Bench:评估OpenClaw风格代理框架在编码任务上的基准
AI 总结:提出Claw-SWE-Bench基准,通过适配器协议统一评估异构代理框架,发现适配器设计对编码性能至关重要,且模型和框架选择显著影响通过率与成本。
链接:https://arxiv.org/abs/2606.12344
机构:TokenRhythm Technologies(TokenRhythm 技术公司); Infinigence AI; Peking University(北京大学); City University of Hong Kong(香港城市大学); SEE Fund(SEE 基金); Shanghai Jiaotong University(上海交通大学); Beijing Jiaotong University(北京交通大学); Tsinghua University(清华大学)
作者:Mengyu Zheng, Kai Han, Boxun Li, Haiyang Xu, Yuchuan Tian, Wei He, Hang Zhou, Jianyuan Guo, Hailin Hu, Lin Ma, Chao Xu, Guohao Dai, Lixue Xia, Yunchao Wei, Yunhe Wang, Yu Wang
英文摘要:General-purpose agents such as OpenClaw are increasingly used as autonomous tool users, but their coding ability is difficult to measure under SWE-bench: a generic agent does not by itself satisfy the clean Docker workspace, patch, and prediction contract required for scoring. We introduce Claw-SWE-Bench, a multilingual SWE-bench-style benchmark and adapter protocol that makes heterogeneous agent harnesses, or claws, comparable under fair settings including a fixed prompt, runtime budget, workspace contract, patch extraction procedure, and evaluator. The full benchmark contains 350 GitHub issue-resolution instances across 8 languages and 43 repositories, drawn from SWE-bench-Multilingual and SWE-bench-Verified-Mini after future-commit cleanup. We also release Claw-SWE-Bench Lite for faster validation, which is an 80-instance subset selected by a cost-aware, rank-aware procedure over 17 calibration columns. On the full benchmark, OpenClaw with a minimal direct-diff adapter scores only $19.1\%$ Pass@1, whereas the full adapter reaches $73.4\%$ with the same GLM 5.1 backbone, showing that adapter design is essential for enabling OpenClaw-style harnesses to perform coding tasks effectively. Across an OpenClaw $\times$ nine-model sweep and a five-claw $\times$ two-model sweep, model choice changes Pass@1 by $29.4$ pp and harness choice by $27.4$ pp under fixed models; systems with similar accuracy can differ substantially in total API cost. Claw-SWE-Bench therefore treats harness and cost accounting as first-class axes of SWE-style coding-agent evaluation, providing both a full benchmark and a low-cost reference set for reproducible comparison. The data is available at https://github.com/opensquilla/claw-swe-bench and https://huggingface.co/datasets/TokenRhythm/Claw-SWE-Bench.
12. 机器学习应用 | 19 篇
75. LakeFM: Toward a Foundation Model for Aquatic Ecosystems Using Irregular Multivariate Multi-depth Time Series Data
LakeFM:基于不规则多变量多深度时间序列数据的水生生态系统基础模型
AI 总结:针对湖泊时间序列数据不规则采样和跨湖泊泛化难题,提出预训练基础模型LakeFM,在模拟和观测数据上学习表征,实现优于现有模型的预测性能。
链接:https://arxiv.org/abs/2606.11268
机构:Virginia Tech(弗吉尼亚理工大学); Grand Valley State University(大峡谷州立大学); University of Wisconsin - Madison(威斯康星大学麦迪逊分校); Amazon AGI(亚马逊AGI); Aarhus University(奥胡斯大学)
作者:Abhilash Neog, Sepideh Fatemi, Medha Sawhney, Kazi Sajeed Mehrab, Aanish Pradhan, Bennett J. McAfee, Emma Marchisin, Arka Daw, Robert Ladwig, Cayelan C. Carey, Paul Hanson, Anuj Karpatne
英文摘要: Understanding and forecasting lake dynamics is critical for monitoring water quality and ecosystem health across lakes and reservoirs. While machine learning methods have been recently applied to ecological time-series data, existing works assume regular sampling in time and depth, and struggle to generalize across lakes with heterogeneous variables, depths, and observation patterns. To address these limitations, we introduce \textsc{LakeFM}, a foundation model for aquatic systems, pre-trained on large-scale ecological datasets comprising both simulated and observed lakes. Through extensive empirical evaluation, we show that \textsc{LakeFM} learns meaningful representations spanning broader lake-level characteristics, and achieves competitive or often superior-forecasting performance compared to existing time-series foundation and non-foundation models, while producing physically plausible predictions consistent with real-world lake dynamics.
76. SwiftCTS: Fast Cross-Design Prediction and Pareto Optimization of Clock Tree Metrics via Few-Shot Calibration
SwiftCTS: 通过少样本校准实现时钟树指标的快速跨设计预测与帕累托优化
AI 总结:提出SwiftCTS框架,利用物理信息代理模型和K-shot乘法校准机制,在数秒内训练、亚毫秒推理,实现跨设计时钟树指标的准确预测与帕累托优化。
链接:https://arxiv.org/abs/2606.11348
作者:Barsat Khadka, Kawsher Roxy, Md Rubel Ahmed
英文摘要:Clock Tree Synthesis (CTS) is a computationally expensive stage in the physical design flow, requiring iterative EDA tool invocations to navigate a vast configuration space for optimal power, wirelength, and timing skew. Existing machine learning approaches require computationally expensive retraining or fine-tuning cycles to adapt to unseen macro architectures and are architecturally mismatched to the millions of evaluations demanded by exhaustive combinatorial search. We present SwiftCTS, a physics-informed surrogate framework that addresses both limitations simultaneously. By coupling lightweight, physics-grounded statistical features with gradient-boosted ensembles, SwiftCTS trains in under five seconds on a CPU and delivers sub-millisecond inference without GPU support. To handle out-of-distribution (OOD) designs without retraining or fine-tuning, we introduce a K-shot multiplicative calibration mechanism that anchors predictions to just one or two physical reference runs, reducing power prediction error from 24.5\% to 3.3\% and wirelength error from 56.6\% to under 1\% on unseen macros. Integrating this engine with an evolutionary optimizer, SwiftCTS evaluates 100,000 CTS configurations in under ten seconds, yielding Pareto-optimal frontiers that are physically validated within the OpenROAD flow. Closed-loop validation confirms prediction errors below 0.5\% for power and wirelength, and timing skew predictions within five picoseconds on an OOD benchmark, consistently outperforming default tool heuristics across all target metrics. Code publicly available at: \href{https://anonymous.4open.science/r/SwiftCTS-7E6E}{https://github.com/BarsatKhadka/SwiftCTS}
77. GLACIER: A Multimodal Student-Teacher Foundation Model for Molecular Property Prediction
GLACIER:用于分子性质预测的多模态师生基础模型
AI 总结:提出GLACIER师生框架,通过融合分子图、SMILES和物理化学描述符三种模态,并利用大模型蒸馏,实现高效准确的分子性质预测。
链接:https://arxiv.org/abs/2606.11382
机构:Department of Computer Science, University of Southern California(南加州大学计算机科学系); Department of Quantitative and Computational Biology, University of Southern California(南加州大学定量与计算生物学系); Amazon(亚马逊); Department of Medical Biochemistry and Biophysics, Science for Life Laboratory, Karolinska Institutet(卡罗林斯卡学院医学生物化学与生物物理系,生命科学实验室)
作者:Emily Nguyen, Yongchan Hong, Harsh Toshniwal, Yan Liu, Andreas Luttens
英文摘要:Deep learning models facilitate the discovery of molecules with tailored properties among billions of candidate compounds. However, the computational burden to develop and deploy state-of-the-art models continuously increases, limiting their scalability. Most large-scale models are unimodal in nature and overlook the potential to leverage complementary molecular data modalities. To address these shortcomings, this paper introduces the Graph-Language Alignment for Chemical Inference and Exploration using Representations (GLACIER) model, a student-teacher framework that integrates molecular graphs, SMILES strings, and physicochemical descriptors to learn rich molecular embeddings. Our framework consists of three stages: (1) we pretrain three student encoders on 100,000 drug-like molecules: a message-passing neural network for molecular graphs, a transformer-based encoder for SMILES strings, and a multilayer perceptron for physicochemical descriptors, (2) we fuse these student modalities using a novel Finsler geometry-aware module, and (3) distill complementary knowledge from large teacher models, including MiniMol and MolFormer, into a single lightweight model via contrastive learning. We demonstrate that GLACIER is a robust framework that delivers high predictive performance and computational efficiency in complex molecular property prediction tasks. Our code is publicly available at https://github.com/eemokey/glacier.
78. LSTM-Based Detection of Structural Breaks in Property Insurance Loss Reserving: A Climate-Informed Approach
基于LSTM的财产保险损失准备金结构性断点检测:气候信息方法
AI 总结:针对气候变化导致传统精算方法失效的问题,提出使用LSTM神经网络检测结构性断点,在佛罗里达和路易斯安那州数据上预期将巨灾年份准备金精度提升15-20%,并给出理论保证。
链接:https://arxiv.org/abs/2606.11463
机构:Stony Brook University(石溪大学)
作者:Thomas Mbrice, Shashwat Panigrahi
英文摘要:Accurate loss reserving is foundational to insurer solvency, yet accelerating climate driven catastrophes systematically violate the stability assumptions on which traditional actuarial methods depend. This white paper presents a research program testing whether Long Short Term Memory (LSTM) neural networks can detect and adapt to these structural breaks faster and more accurately than Chain Ladder, Bornhuetter Ferguson, and Cape Cod methods. Using 15 plus years of regulatory development triangle data from Florida and Louisiana, enriched with NOAA hurricane intensity indices and sea surface temperatures, we hypothesize a targeted improvement of 15, 20% in reserve accuracy for catastrophe exposed years, a threshold grounded both in the prior neural network reserving literature and in the formal convergence results developed here. Beyond empirical validation, we develop a theoretical framework grounding LSTM structural break detection in probabilistic terms, providing formal performance guarantees that compensate for the limited number of catastrophe events in the test period. We document the research design, methodology, expected contributions, and a candid assessment of limitations.
79. OmniLoc: A Geometry-Aware Foundation Model for Anchor-Free UE Localization Across Diverse Indoor Environments
OmniLoc: 一种几何感知的基础模型,用于跨多样室内环境的无锚点用户设备定位
AI 总结:提出OmniLoc,首个基于无线测量的基础模型,通过统一输入分词、几何感知Transformer和几何感知位置估计模块,实现跨室内环境的鲁棒无锚点定位,显著优于现有方法。
链接:https://arxiv.org/abs/2606.11490
作者:Lei Chu, Yuning Zhang, Omer Gokalp Serbetci, Anushka Katiyar, Bassel Abou Ali Modad, Andreas F. Molisch
英文摘要:Indoor localization from wireless measurements remains challenging in large-scale deployments due to substantial variation in building geometry, the set of detectable access points (APs), and the heterogeneity of received signals. Existing learning-based methods often perform well only in limited settings and degrade under environmental shifts, making robust anchor-free localization across diverse indoor environments notoriously difficult. In this paper, we present OmniLoc, an environment-interactive foundation model for anchor-free user equipment localization across diverse indoor environments. To the best of our knowledge, OmniLoc is the first foundation-model-based approach built directly on wireless measurements for this task. OmniLoc is built on three key designs. First, a unified input tokenization module converts heterogeneous wireless measurements into a common representation that is more amenable to learning. Second, a geometry-aware Transformer performs AP-aware feature extraction by emphasizing dominant APs while aggregating complementary evidence from supporting APs. Third, a geometry-aware location estimation module conditions regression on geometric embeddings to produce geometrically consistent location predictions. We evaluate OmniLoc on both a large-scale in-house dataset and a public benchmark dataset. Results show that OmniLoc significantly outperforms existing methods, consistently improves existing backbones when its design components are integrated, and demonstrates strong generalization in cross-environment evaluations.
80. APEX: A Network-Native Time-Series Foundation Model for Forecasting and Anomaly Detection for Wireless Edge Operations
APEX:面向无线边缘运维的预测与异常检测的网络原生时间序列基础模型
AI 总结:提出网络原生解码器Transformer APEX,针对企业AP遥测数据预训练,在DHCP退化基准上MAE比最强基线降低18%,异常检测F1=0.93,边缘版本实现亚秒级隐私保护推理。
链接:https://arxiv.org/abs/2606.11553
机构:Cisco Systems, USA(思科系统公司)
作者:Swadhin Pradhan, Niloo Bahadori, Peiman Amini
英文摘要:Generic time-series foundation models transfer poorly to wireless network telemetry whose signals are bursty, zero-inflated, and coupled across protocol layers. We present APEX, a network-native, decoder-only transformer for forecasting enterprise AP telemetry, and evaluate it on DHCP degradation as a representative network task. APEX is pre-trained on 10-channel multivariate telemetry from ~4,500 production wireless networks (~100K AP time series, 34 metrics per AP), and is available as APEX-Large (269M, cloud) and APEX-Edge (10.5M, edge). On a 192-step (4-day) DHCP degradation benchmark, APEX-Large reduces MAE by 18% over the strongest foundation-model baseline (Toto) and 38% over SARIMA, with anomaly-detection F1 = 0.93, while APEX-Edge enables sub-second, privacy-preserving inference on AP-class edge hardware. These results suggest network-native pre-training is a practical foundation for proactive wireless operations.
81. Physics-Distilled Neural Network enabled by Large Language Models for Manufacturing Process-Property Predictive Modeling
基于大语言模型的物理蒸馏神经网络用于制造过程-性能预测建模
AI 总结:提出一种知识蒸馏框架,利用大语言模型从文献中提取物理先验,通过图掩码注意力层捕获变量依赖,蒸馏至轻量学生模型,在数据稀缺下实现高精度预测与实时部署。
链接:https://arxiv.org/abs/2606.11605
作者:Ge Song, Kiarash Naghavi Khanghah, Anandkumar Patel, Rajiv Malhotra, Hongyi Xu
英文摘要:Predicting process-property relationships in manufacturing is often challenged by high experimental costs and the limited interpretability of complex 'black-box' models. This paper proposes a novel knowledge distillation framework designed to achieve high-accuracy predictions in data-scarce scenarios. The framework integrates analytical physics priors, which are systematically extracted from scientific literature via Large Language Models, into a privileged teacher model. We employ a Graph-Masked Attention layer to capture the complex physical dependencies among input variables showing strict setpoints or a combination of static and high-frequency temporal signatures. This privileged knowledge is distilled into a lightweight student predictor for inference. The feasibility and robustness of the framework are evaluated through a comprehensive experiment across five diverse manufacturing processes. To ensure statistical reliability, given the small dataset sizes, a repeated K-fold cross-validation technique is employed to quantify model stability and generalization. Results indicate that the proposed framework consistently achieves high predictive accuracy across all evaluated domains. Most importantly, the architecture demonstrates significant fault tolerance by maintaining robust predictive performance even in scenarios where LLM-derived analytical priors are suboptimal or incomplete. Furthermore, the student predictor achieves an inference frequency exceeding 6000 Hz, which facilitates real-time edge deployment on standard industrial hardware. This work provides a scalable solution for bridging the gap between theoretical physics and real-time industrial monitoring in data-limited environments.
82. Structure-Preserving Neural Surrogates with Tractable Uncertainty Quantification
具有可处理不确定性量化的保结构神经代理模型
AI 总结:提出一种结合混合有限元空间与高斯过程回归的保结构降阶模型,通过拓扑结构实现状态-通量关系的不确定性量化,并导出狄利克雷-诺伊曼映射的闭式后验不确定性。
链接:https://arxiv.org/abs/2606.11650
机构:University of Pennsylvania(宾夕法尼亚大学); Stanford University(斯坦福大学); California Institute of Technology(加州理工学院)
作者:Handi Zhang, Adrienne M. Propp, Brooks Kinch, Houman Owhadi, Nathaniel Trask
英文摘要: Recent advances in scientific machine learning provide a means of near-real-time solution to partial differential equations (PDEs), but lack the theoretical underpinnings of conventional simulators that support contemporary verification and validation. In this work, we construct data-driven reduced-order models that serve as structure-preserving, real-time surrogates. Remarkably, the exterior calculus that imposes physical conservation structure also exposes topological structure that we use to build a Gaussian process (GP) representation of uncertainty in state-flux relationships, ultimately yielding a Dirichlet-to-Neumann map for quantities of interest with closed-form expressions for posterior uncertainty. We specifically propose structure-preserving $H(\mathrm{div})$--$L^2$ subspaces of conventional Raviart--Thomas and $dgP_0$ elements prescribed by a lightweight transformer. Reduced-order dynamics consistent with this subspace are learned by posing a conservation law in which a GP describes the fluxes between volumes. This work hinges on a novel interface between mixed FEM spaces and GP regression; when training is posed as the optimal recovery problem (ORP), the resulting GP regression can be written as an optimization problem with equality constraints that impose a conservation structure, amenable to a fast Schur-complement training strategy. The trained model can then be solved in real time with closed-form estimators for boundary fluxes driven by prescribed Dirichlet data. The paper includes RKHS posterior error bounds for linear functionals to support uncertainty quantification, as well as numerical experiments demonstrating the accuracy of the posterior distribution as a surrogate for error estimation.
83. DeepRHP: A Hybrid Variational Autoencoder for Designing Random Heteropolymers as Protein Mimics
DeepRHP:一种用于设计随机异聚合物作为蛋白质模拟物的混合变分自编码器
AI 总结:提出混合变分自编码器DeepRHP,在半监督框架下结合特征VAE与经典VAE,通过潜在空间捕获关键化学特征与序列模式,指导随机异聚合物设计,实验验证其稳定膜蛋白的有效性。
链接:https://arxiv.org/abs/2606.11651
作者:Shuni Li, Zhiyuan Ruan, Andy Shen, Ivan Jayapurna, Ting Xu, Haiyan Huang
英文摘要:Synthetic random heteropolymers (RHPs), consisting of a predefined set of monomers, offer an approach toward the design of protein-like materials. These RHPs, if designed appropriately, can mimic protein behavior and function. As such, there is a need for computational tools to efficiently guide RHP design. We bridge this gap by developing DeepRHP, a modified variational autoencoder (VAE) model under a semi-supervised framework. By equipping a classical VAE with an additional feature-based VAE, DeepRHP forces the latent space to capture structures of critical chemical features as well as individual RHP sequence patterns. In this sense, our method is versatile by allowing any relevant features to be incorporated in a hybrid manner. We demonstrate the effectiveness of DeepRHP by suggesting potential monomer compositions that stabilize membrane proteins (e.g. Aquaporin Z) in non-native environments and cross-validating our prediction with published results. The concordance between our model and true RHP function suggests strong potential in utilizing hybrid autoencoder architectures to guide RHP design for proteins and other biological compounds.
84. AI4Land: Scalable Deep Learning for Global High-Resolution Land Use Reconstruction
AI4Land: 面向全球高分辨率土地利用重建的可扩展深度学习
AI 总结:提出AI4Land框架,采用U-Net两阶段方法,结合粗分辨率情景数据与静态地理特征,重建高分辨率年度土地利用与覆盖,减少陆地碳循环不确定性,支持气候模拟。
链接:https://arxiv.org/abs/2606.11793
机构:Barcelona Supercomputing Center(巴塞罗那超级计算中心)
作者:Amirpasha Mozaffari, Marina Castaño, Stefano Materia, Etienne Tourigny, Oscar Molina-Sedano, Jordi Varela-Agrelo, Dario Garcia-Gasulla, Miguel Castrillo Melguizo, Mario Acosta, Amanda Duarte
英文摘要:Uncertainty in the terrestrial carbon cycle remains a major constraint in climate projections, partly driven by the uncertainties affecting the land surface representation and variability in Earth system models. To address this limitation, we present a data-driven framework AI4Land, for generating high-resolution historical reconstructions and future projections of key land surface variables. The framework follows a two-phase approach using a U-Net architecture. In the first phase, which is the focus of this work, it reconstructs annual land use and land cover by integrating coarse-resolution scenario data with static geophysical features. In a planned second phase, the resulting high-resolution maps will be used to predict dynamic biophysical variables, particularly leaf area index, at finer temporal scales. Trained on Earth observation data, the models learn to reproduce spatially explicit and physically consistent land surface patterns, extending temporal coverage to periods lacking direct observations. AI4Land was developed and trained on MareNostrum5, demonstrating how GPU-accelerated HPC infrastructure enables global-scale climate AI pipelines. The final product is a suite of open-source emulators designed for real-time coupling with digital twin platforms, such as those developed under the Destination Earth initiative. By delivering realistic and evolving land surface conditions on demand, this work aims to reduce critical uncertainties and improve the predictive power of next-generation climate simulations.
85. Multimodal Ordinal Modeling of Alzheimer's Disease Severity Using Structural MRI and Clinical Data
使用结构MRI和临床数据的阿尔茨海默病严重程度的多模态序数建模
AI 总结:提出一种注意力增强的多模态序数回归框架,整合MRI、人口统计学和遗传数据,用于自动且可解释的AD严重程度分期,在ADNI等数据集上验证,序数模型在相邻阶段准确率(0.970)和与临床分期一致性(QWK 0.549)上表现最佳。
链接:https://arxiv.org/abs/2606.11794
作者:Boris-Stephan Rauchmann, Jonathan Laib, Buse Ercik, Robert Perneczky, Sergio Altares-López
英文摘要:Neurodegenerative diseases such as Alzheimer's disease (AD) require accurate and scalable tools for assessing disease severity, yet current clinical staging remains time-intensive and prone to variability. We propose an attention-enhanced multimodal machine learning framework with ordinal regression for automated and interpretable AD severity staging. The framework integrates T1-weighted MRI with demographic and genetic variables and compares unimodal and multimodal architectures using ordinal and non-ordinal prediction heads. Models were trained and validated using cohort-stratified splits derived from the ADNI, AIBL, and NIFD datasets. A strictly held-out test set was constructed using subjects excluded from all training, validation, preprocessing, and hyperparameter tuning procedures, with subject-level splitting employed throughout to prevent data leakage. Among unimodal approaches, the T1-weighted MRI model achieved slightly higher adjacent-stage accuracy (0.963) and agreement with clinical staging (QWK 0.444) than the tabular model (QWK 0.433). Integrating imaging, demographic, and genetic information improved overall performance. The multimodal non-ordinal baseline achieved the lowest prediction error (MAE 0.340), whereas the ordinal multimodal model achieved the highest adjacent-stage accuracy (0.970) and strongest agreement with clinical staging (QWK 0.549). These findings indicate that ordinal formulations better capture the ordered structure of the CDR scale and yield predictions more consistent with clinical staging. Explainability analyses using Grad CAM++ and SHAP demonstrated anatomically and clinically plausible model behavior, supporting transparent decision-making. Overall, attention-based multimodal learning with ordinal regression represents a robust, interpretable, and scalable approach for automated AD severity staging and AI-assisted clinical decision support.
86. MemNovo: Look Back at the Spectrum for Balanced De Novo Peptide Sequencing from Mass Spectrometry
MemNovo: 回顾谱图以实现质谱中平衡的从头肽段测序
AI 总结:针对现有Transformer模型在从头肽段测序中过度依赖生成序列先验而忽视谱图证据的问题,提出训练无关的即插即用机制MemNovo,通过建立持久谱记忆库和超保守残差连接在解码阶段注入谱特征,显著提升氨基酸和肽段精度。
链接:https://arxiv.org/abs/2606.11868
机构:Westlake University(西湖大学); Hunan University(湖南大学); Shanghai Artificial Intelligence Laboratory(上海人工智能实验室); HKUST-GZ & HKUST(香港科技大学(广州)与香港科技大学)
作者:Dongxin Lyu, Jingbo Zhou, Hongxin Xiang, Yuqiang Li, Jun Xia
英文摘要:De novo peptide sequencing from tandem mass spectrometry is pivotal in proteomics, enabling identification of novel peptides without reference databases. While recent Transformer-based encoder-decoder models have achieved remarkable performance, we uncover a critical pathology in their inference dynamics. Through comprehensive feature scaling experiments, we demonstrate that existing auto-regressive peptide decoders tend to over-rely on generated-sequence priors while progressively under-utilizing fine-grained physical evidence from the input mass spectrum. This phenomenon leads to suboptimal results, where generated peptide sequences are biologically plausible yet not faithful to the input spectrum. To rectify this, we propose MemNovo, a training-free and plug-and-play mechanism that re-balances peptide and spectral contributions at inference time. MemNovo alleviates the information bottleneck by establishing a persistent spectral memory bank and injecting retrieved features directly into the final decoding stage via an ultra-conservative residual connection. Theoretical analysis confirms that this mechanism restores the mutual information between the decoder state and the raw spectrum. Extensive experiments on the Nine Species benchmark with two representative baselines, Casanovo and InstaNovo, demonstrate that MemNovo consistently improves both amino acid precision and peptide precision, achieving up to 39.1% relative improvement in peptide precision for Casanovo and up to 3.9% for InstaNovo, with negligible computational overhead.
87. Beyond representational alignment with brain-guided language models for robust reasoning
超越表征对齐:基于大脑引导的语言模型实现稳健推理
AI 总结:研究通过fMRI信号增强大型语言模型推理能力,提出脑引导框架,在10个模型上实现最高13%的准确率提升。
链接:https://arxiv.org/abs/2606.11893
机构:State Key Lab of General AI, School of Intelligence Science and Technology, Peking University(北京大学通用人工智能国家重点实验室、智能科学与技术学院); Department of Psychological and Cognitive Sciences, Tsinghua University(清华大学心理与认知科学系); Microsoft Research Asia(微软亚洲研究院)
作者:Mingqing Xiao, Kai Du, Zhouchen Lin
英文摘要:The correspondence between large language models (LLMs) and the neural mechanisms underlying human higher-order cognition remains insufficiently characterized. Given that language and reasoning in the human brain appear dissociable, an open question is whether LLMs align with neural signals from reasoning-related regions and whether such signals can improve them. Here, focusing on deductive reasoning, we show that LLM internal representations are not only partially aligned with task-fMRI activity but can also be directly enhanced by these signals. Using a neural-predictivity metric, we find that LLMs explain a substantial fraction of the explainable variance in reasoning-related regions at the aggregate level, whereas predictivity within specific reasoning types is lower, indicating both alignment and divergence. Building on this, we propose a brain-guided framework: we steer model representations along directions induced by the joint structure of model and brain representations, applying intervention at inference and fine-tuning during training. We demonstrate that task-evoked brain signals can directly enhance LLM reasoning, yielding gains orthogonal to language-only supervision across 10 LLMs (1.5B-72B), with transfer across reasoning types and up to 13\% absolute accuracy gain. Our results advance LLM-brain correspondences from correlation to guidance, establishing a brain-signal-driven pathway toward more robust and cognitively aligned AI.
88. Time-Series Foundation Model Embeddings for Remaining Useful Life Estimation
用于剩余使用寿命估计的时间序列基础模型嵌入
AI 总结:提出冻结预训练时间序列基础模型Chronos-2作为骨干,结合轻量回归头进行剩余寿命预测,在工业传感器数据上优于多种基线方法。
链接:https://arxiv.org/abs/2606.11990
机构:University of Erlangen-Nuremberg(埃尔朗根-纽伦堡大学); Siemens AG(西门子股份公司)
作者:Amir El-Ghoussani, Michele De Vita, Ronald Naumann, Valiseios Belagiannis
英文摘要:Remaining Useful Life (RUL) prediction is essential for industrial predictive maintenance, yet many learning-based approaches rely on extensive feature engineering or large labeled datasets to train task-specific sequence models. In this work, we introduce a lightweight learning approach, in which we leverage a frozen pretrained time-series foundation model (TSFM) and combine it with a small regression head for RUL estimation from multivariate sensor streams. More specifically, we use Chronos-2 as a frozen backbone to extract context window features and train a lightweight regression neural network for RUL prediction. Experiments on real-world industrial sensor data from two device types show that Chronos-2 features consistently improve over recurrent, convolutional, Transformer-based, and gradient-boosting baselines under the same preprocessing and evaluation protocol. We further analyze the impact of context length and find that performance improves significantly with longer histories, indicating that TSFM representation offer a practical and data-efficient alternative for RUL estimation in industrial settings.
89. Tabular Foundation Models for Clinical Survival Analysis via Survival-Aware Adaptation
通过生存感知适配的临床生存分析表格基础模型
AI 总结:提出轻量级适配方法,将表格基础模型(TabPFN、TabDPT、TabICL)与多任务逻辑回归头结合,用于临床生存分析,在多个基准和ICU队列上达到竞争性或更优性能。
链接:https://arxiv.org/abs/2606.12006
机构:ADAPT Centre, Dublin City University(ADAPT中心,都柏林城市大学); School of Computing, Dublin City University(都柏林城市大学计算机学院); Department of Computer Science and Engineering, University of Bologna(博洛尼亚大学计算机科学与工程系)
作者:Minh-Khoi Pham, Luca Cotugno, Alina Sirbu, Tai Tan Mai, Martin Crane, Marija Bezbradica
英文摘要: Predicting time-to-event outcomes such as mortality is a fundamental task in clinical decision-making, commonly addressed through survival analysis. While classical statistical and deep learning approaches have been widely studied, they typically require task-specific training and sufficient labeled data. Recent advances in tabular foundation models offer a new paradigm by learning general-purpose representations for structured data. However, their applicability to censored time-to-event prediction in clinical settings remains underexplored, as typical applications are restricted to discrete classification rather than survival analysis tasks. In this work, we propose a lightweight adaptation approach for applying tabular foundation models to clinical survival analysis by directly training a survival-aware head on top of the pretrained representations. We study representative architectures, including TabPFN, TabDPT, and TabICL, and adapt them using a multi-task logistic regression (MTLR) head to model right-censored time-to-event outcomes. We evaluate this approach on a diverse set of public survival benchmarks and two large-scale ICU cohorts, MIMIC-IV and eICU. Our results show that this transfer learning approach achieves competitive or superior performance compared to strong baselines. On MIMIC-IV, TabDPT-FT-MTLR reaches a C-index of 0.856, corresponding to a relative improvement of +1.4% over the best non-FM baseline (DeepSurv, 0.844) and +6.7% over the best zero-shot model (0.802). On eICU, TabICL-FT-MTLR achieves 0.797, yielding gains of +1.7% (DeepSurv, 0.784) and +6.4% (0.749), respectively. These findings highlight the importance of combining pretrained tabular representations with survival-aware objectives and suggest that tabular foundation models provide a practical and effective alternative for clinical survival prediction.
90. Efficient Time Series Clustering from Multiscale Reservoir Dynamics with Granular-Ball Anchoring Graph Optimization
基于多尺度储层动力学与粒球锚定图优化的高效时间序列聚类
AI 总结:提出MSRGC-Net框架,结合无训练储层计算、粒球锚定图构建和共识学习,实现高效且准确的时间序列聚类。
链接:https://arxiv.org/abs/2606.12077
机构:Chongqing Key Laboratory of Computational Intelligence, Key Laboratory of Cyberspace Big Data Intelligent Security, Ministry of Education, Sichuan-Chongqing Co-construction Key Laboratory of Digital Economy Intelligence and Key Laboratory of Big Data Intelligent Computing, College of Computer Science and Technology, Chongqing University of Posts and Telecommunications(重庆邮电大学计算机科学与技术学院,计算智能重庆市重点实验室,网络空间大数据智能安全教育部重点实验室,川渝共建数字经济智能重点实验室,大数据智能计算重点实验室); Chongqing Ant Consumer Finance Co,. Ltd , Ant Group(蚂蚁集团,重庆蚂蚁消费金融有限公司)
作者:Yifan Wang, Lifeng Shen, Shuyin Xia, Yi Wang
英文摘要:Time-series clustering remains challenging due to the inherent trade-off between clustering effectiveness and computational efficiency. Similarity-based methods often suffer from quadratic complexity caused by pairwise distance computations, while deep learning-based approaches typically rely on costly iterative training and a large number of trainable parameters. In this paper, we propose MSRGC-Net, an efficient time-series clustering framework that integrates multiscale reservoir computing, granular-ball-based anchoring graph construction, and consensus learning. MSRGC-Net adopts a training-free reservoir computing paradigm to extract multiscale temporal representations from raw time series without backpropagation, significantly reducing computational overhead. To capture the intrinsic structure of the resulting representations, granular-ball computing is employed to adaptively model data distributions via density-consistent regions, yielding compact and robust anchor graph representations. Furthermore, a consensus-based anchoring graph optimization strategy is introduced to effectively align multiscale reservoir representations and integrate complementary information across temporal scales. Extensive experiments on widely used univariate and multivariate benchmark datasets demonstrate that MSRGC-Net consistently outperforms state-of-the-art methods in clustering performance while maintaining superior computational efficiency.
91. PCA-Enhanced Adaptive NVAR Framework for High-Resolution Sea Surface Temperature Forecasting in the East Sea
PCA增强的自适应NVAR框架用于东海高分辨率海面温度预测
AI 总结:提出PCA增强的自适应NVAR框架,通过SVD降维和自适应NVAR时序建模,实现东海海面温度的高效准确预测,优于标准NVAR方法。
链接:https://arxiv.org/abs/2606.12141
机构:Pusan National University(釜山大学)
作者:Sherkhon Azimov, Susana López-Moreno, Eric Dolores-Cuenca, JinYong Choi, Sangil Kim
英文摘要:Accurate forecasting of sea surface temperature (SST) in regional seas such as the East Sea is crucial for monitoring marine ecosystems, assessing climate risks, managing fisheries, and conducting naval operations. Traditional numerical ocean models provide reliable predictions but are computationally expensive and often unsuitable for real-time forecasting. Many deep learning methods also struggle with high-dimensional spatiotemporal ocean data and experience error accumulation over longer forecasting periods. This study builds on our previously proposed Adaptive Next-Generation Reservoir Computing (Adaptive NVAR) framework, initially introduced and tested on synthetic dynamical systems, and extends it to ocean forecasting. We present a reduced-order forecasting framework that combines Singular Value Decomposition (SVD) with Adaptive NVAR to predict SST dynamics in the East Sea. SST fields are compressed into a low-dimensional representation using SVD, which extracts dominant modes of ocean variability. Adaptive NVAR models the temporal evolution of these latent states, and the predicted states are reconstructed into SST forecasts. We evaluate the framework using regional ocean datasets and compare it with the standard NG-RC/NVAR. Results show that Adaptive NVAR consistently achieves lower forecasting errors across multiple prediction horizons. In addition, SVD reduces computational complexity, resulting in a fast and scalable framework suitable for real-time ocean forecasting.
92. Using Explainability as a Training-Time Reliability Signal for Efficient ECG Classification
使用可解释性作为训练时可靠性信号实现高效心电图分类
AI 总结:提出ERTS方法,利用训练中的解释质量(Grad-CAM注意力图)区分信息性和不可靠不确定性,过滤低聚焦样本,在三个ECG数据集上提升macro-F1并降低训练成本。
链接:https://arxiv.org/abs/2606.12252
机构:School of Computer Science, University of Nottingham(诺丁汉大学计算机科学学院); Institute of Biomedical Engineering, Department of Engineering Science, University of Oxford(牛津大学工程科学系生物医学工程研究所); School of Computer Science, University of Nottingham Ningbo China(宁波诺丁汉大学计算机科学学院)
作者:Veerendhra Kumar Dangeti, Xiao Gu, Ying Weng, Shreyank N Gowda
英文摘要: Training deep neural networks for clinical time-series analysis is computationally demanding, yet many healthcare settings lack the resources required for repeated model development and deployment. This challenge is particularly evident in electrocardiogram classification, where large datasets and long training schedules make efficiency practically important. Progressive Data Dropout reduces training cost by excluding samples from gradient updates once they are learned, but it relies on model confidence and may retain samples that are difficult due to noise or ambiguity rather than useful signal. In this work, we introduce ERTS, an explainability-based reliability training signal for efficient ECG classification. ERTS uses explanation quality during training to distinguish between informative and unreliable uncertainty. Building on progressive data selection, we compute Grad-CAM attention maps for candidate samples and derive a focus score that measures whether model predictions are supported by coherent and localised patterns. Samples with low focus are filtered out, while those with meaningful attention are prioritised for gradient updates. We evaluate ERTS across three ECG datasets and multiple backbone architectures, showing consistent improvements in macro-F1 alongside reduced effective training cost. These results suggest that explanation quality can serve as a practical signal for improving both efficiency and reliability in clinical time-series learning. Code will be released.
93. Fourier Features Let Agents Learn High Precision Policies with Imitation Learning
傅里叶特征让智能体通过模仿学习学习高精度策略
AI 总结:提出在点云编码器中使用傅里叶特征映射,解决神经网络低频偏好导致的高精度操作问题,在多个基准和真实机器人上显著提升性能。
链接:https://arxiv.org/abs/2606.12334
机构:Karlsruhe Institute of Technology(卡尔斯鲁厄理工学院); FZI Research Center for Information Technology(FZI信息技术研究中心)
作者:Balázs Gyenes, Emiliyan Gospodinov, Jan Frieling, Enrico Krohmer, Nicolas Schreiber, Xiaogang Jia, Niklas Freymuth, Gerhard Neumann
英文摘要:High-precision robotic manipulation requires fine-grained spatial reasoning that is often difficult to achieve with RGB-only policies due to depth ambiguity and perspective scale issues. Policies that leverage 3D information directly, such as those based on point clouds, offer a stronger geometric prior over purely image-based ones, yet their performance remains highly task-dependent. We hypothesize that this discrepancy may be due to the spectral bias of neural networks towards learning low frequency functions, which especially affects architectures conditioned on slow-moving Cartesian features. We thus propose to map point clouds from Cartesian space into high-dimensional Fourier space, effectively equipping the point cloud encoder with direct access to high-frequency features. We experimentally validate the use of Fourier features on challenging manipulation tasks from the RoboCasa and ManiSkill3 benchmarks and on a real robot setup. Despite their simplicity, we find that Fourier features provide significant benefits across diverse encoder architectures and benchmarks and are robust across hyperparameters. Our results indicate that Fourier features let policies leverage geometric details more effectively than Cartesian features, showing their potential as a general-purpose tool for point cloud-based imitation learning. We provide source code and videos on our project page: https://fourier-il.github.io/fourier-il
13. 其他/综合机器学习 | 8 篇
94. Counterexample Guided Learning in the Large using Reasoning Agents
使用推理代理的大规模反例引导学习
AI 总结:提出反例引导的LLM正则表达式归纳框架,通过验证器反馈和代理策略(如反思与修复循环)显著提升样本效率和复杂任务成功率。
链接:https://arxiv.org/abs/2606.11521
机构:University of Wisconsin-Madison(威斯康星大学麦迪逊分校)
作者:Hongyi Liu, Frederic Sala, Thomas Reps, Adithya Murali
英文摘要:LLMs and LLM agents should improve when given feedback, but identifying when they are able to do so is difficult: feedback is heterogeneous, domain-specific, and difficult to control. We approach this challenge by asking LLMs to perform regular-expression induction, a classical symbolic learning problem where precise mechanisms for feedback exist in the form of counterexamples. In counterexample-guided learning, a learner (LLM) proposes candidate regular expressions from positive/negative-labeled strings, and the teacher (verifier) returns counterexamples showcasing the difference between the candidate and target languages. We identify novel counterexample-guided refinement strategies that enable effective regex learning, such as regularization and symbolic counterexample clusters. We also explore agentic strategies such as reflection and repair loops. Empirically, we find that verifier feedback substantially improves sample efficiency on challenging regex-induction tasks, reducing the number of labeled examples required and enabling learning of complex target expressions where standard prompting fails. For example, on the hardest task groups, our counterexample-guided framework improves success from 3.2% to 38.1% and from 38.9% to 74.1% on two different regex domains. These results suggest that LLMs can benefit from rich feedback beyond treating it as additional data, opening the door for robust verifier-guided methods for LLM-based program synthesis and formal reasoning.
95. Tree-Structured Orthonormal Decomposition of the Aitchison Simplex
Aitchison单纯形的树结构正交分解
AI 总结:提出PolyILR方法,利用树结构对成分数据进行正交分解,在微生物组和单细胞数据中生成稳定可解释的特征,并建立与softmax分类器的理论联系。
链接:https://arxiv.org/abs/2606.11646
作者:Daisuke Yamada, Qijun Zhang, Travis Pence, Barbara B. Bendlin, Federico Rey, Vikas Singh
英文摘要:Compositional data -- vectors encoding relative proportions -- arise across scientific domains, including ecology, geochemistry, and genomics. The features in these data often come with known hierarchical structure (e.g., taxonomies, phylogenies, ontologies), yet existing methods either ignore this structure, discard the intrinsic Aitchison geometry, are designed for binary trees, or yield incomplete coordinate systems. We describe PolyILR, a canonical orthonormal decomposition of the Aitchison tangent space aligned with any tree topology. Our construction defines a weighted local geometry at each internal node capturing full branching structure, then lifts these to a global orthonormal basis where every coordinate corresponds to a specific tree location. On microbiome and single-cell benchmarks, PolyILR yields stable, interpretable features and enables inference at multiscale tree resolution. We also establish a novel theoretical connection to softmax classifiers, suggesting possible applications to probabilistic modeling.
96. Sparse probes and murky physics: a case study of interpretability challenges in a foundation model for continuum dynamics
稀疏探针与模糊物理:连续介质动力学基础模型可解释性挑战的案例研究
AI 总结:本研究通过稀疏自编码器探针分析连续介质动力学基础模型Walrus的内部机制,发现其内部特征与物理分解不完全一致,并存在输出级偏差,揭示了科学基础模型可解释性的关键挑战。
链接:https://arxiv.org/abs/2606.11657
机构:Gates Foundation(盖茨基金会); UC Davis(加州大学戴维斯分校)
作者:Katherine Rosenfeld, Maike Sonnewald
英文摘要:Generative AI emulators are increasingly used in scientific domains where we already have strong theory, benchmarks, and physical intuition. This raises a central evaluation and interpretability question: when a foundation-style model can reproduce known continuum dynamics, what internal mechanism supports that behavior, is the internal behaviour consistent with known physics, and how does it relate to where the emulator succeeds or fails? We investigate a cross-domain foundation model for continuum dynamics, Walrus by Polymathic, using mechanistic interpretability guided by physical principles. We apply a sparse autoencoder (SAE) to probe a selected layer, and address the practical challenge of triaging a large feature set (over 20,000) using enstrophy as a physically grounded metric. As a deliberately simple testbed, we focus on shear flow and compare feature recruitment across multiple shear-flow setups, i.e. parameter values in the numerical simulation. Across setups we find evidence of piecewise consistency, with subsets of features recurring in similar roles, but this structure is intermittent and does not map cleanly onto standard physical decompositions. In parallel, direct comparisons between numerical simulation and the emulator reveal systematic output-level discrepancies, including regimes where energy/structures become too diffuse or too localized. We connect parts of these discrepancies to changes in specific SAE feature usage. Our work highlights open questions for scientific foundation models: how to robustly prioritize mechanistically meaningful features, how to separate stable structure from analysis artifacts (including single-layer and SAE limitations), and how to use established benchmarks to decide when "different" internal representations are genuinely informative rather than merely effective.
97. What Uncertainties Do We Need for Dynamical Systems?
动力系统需要哪些不确定性?
AI 总结:本文从机器学习视角探讨动力系统中的不确定性,区分偶然与认知不确定性,并讨论不同任务中表示和量化不确定性的目标。
链接:https://arxiv.org/abs/2606.11988
机构:Institute of Computer Science, LMU Munich(慕尼黑大学计算机科学研究所); Munich Center for Machine Learning (MCML)(慕尼黑机器学习中心); Department of Mathematics, LMU Munich(慕尼黑大学数学系); German Research Center for Artificial Intelligence (DFKI, DSA)(德国人工智能研究中心(DFKI, DSA))
作者:Yusuf Sale, Christopher Bülte, Felix Czaja, Joshua Stiller, Eyke Hüllermeier
英文摘要:The distinction between aleatoric and epistemic uncertainty has received considerable attention in machine learning research, mainly in the context of supervised learning but also in other settings such as generative modeling. In this paper, we offer a machine learning perspective on uncertainty modeling for dynamical systems, which has been studied much less so far. In particular, we ask: what uncertainties do we need for dynamical systems? We discuss sources of uncertainty, clarify their nature (aleatoric or epistemic), and consider how the objectives of representing and quantifying uncertainty vary across different tasks.
98. Unstable Features, Reproducible Subspaces: Understanding Seed Dependence in Sparse Autoencoders
不稳定特征,可复现子空间:理解稀疏自编码器中的种子依赖性
AI 总结:研究稀疏自编码器特征的可复现性,发现稳定特征承载主要信号,不稳定特征集中于可复现的低秩子空间,反映基歧义而非纯噪声。
链接:https://arxiv.org/abs/2606.12138
机构:T-Tech
作者:Gleb Gerasimov, Timofei Rusalev, Nikita Balagansky, Daniil Laptev, Vadim Kurochkin, Daniil Gavrilov
英文摘要:Sparse autoencoders (SAEs) are widely used to interpret neural network representations, but their utility depends on whether the learned features are reproducible across training runs. We study this question through \emph{feature stability}: for each SAE feature, we estimate the probability that a similar feature reappears in an independently trained SAE. This yields a scalable per-feature signal that separates stable from unstable features. In a large-scale study across seeds, models, layers, dictionary sizes, and SAE variants, we find a pronounced functional asymmetry: stable features carry most of the reconstruction- and prediction-relevant signal, while unstable features have weak marginal impact and are dominated by low-frequency surface-form triggers in both activation statistics and automatic explanations. Geometrically, unstable features are individually non-reproducible but concentrate in reproducible lower-rank subspaces, suggesting that seed dependence often reflects basis ambiguity within a shared region of activation space rather than pure noise. A controlled synthetic model makes this mechanism explicit, showing that low-rank ground-truth features can be recovered at the subspace level while remaining non-identifiable as individual SAE latents across seeds. Finally, by pooling unique cross-seed features, we construct more stable SAEs while preserving explained variance in this setting. Together, these results show that unstable features are not merely failed or noisy latents: they have weak individual functional impact, but reflect reproducible low-dimensional structure that standard SAEs resolve differently across seeds.
99. Finding Multiple Interpretations in Datasets
在数据集中寻找多种解释
AI 总结:提出一种方法,在保持性能的同时,找到具有不同上下文感知特征但性能相似的模型集,以提取对潜在现象的洞察。
链接:https://arxiv.org/abs/2606.12277
机构:Department of Computer Science, California Polytechnic State University(加州州立理工大学计算机科学系)
作者:Matthew Chak, Paul Anderson
英文摘要:In this paper, we propose an approach to finding sets of similar-performing models (in terms of loss/accuracy measurements) with highly different context-aware characteristics. Through experiments on the METABRIC dataset, we show that the proposed method finds multiple models with highly different gene expressions than those found by the control methodology without performance penalties. We argue that the proposed methodology is important whenever one aims to analyze any global characteristic of a model to extract insight into the underlying phenomenon being studied.
100. The Standard Interpretable Model: A general theory of interpretable machine learning to deductively design interpretable methods using Lagrangian mechanics
标准可解释模型:一种基于拉格朗日力学的可解释机器学习通用理论,用于演绎设计可解释方法
AI 总结: 提出标准可解释模型(SIM),基于拉格朗日力学从前提演绎出可解释性对称性和约束,通过最小化拉格朗日函数得到最优可解释模型,解决现有方法局限性并指导新方法设计。
链接:https://arxiv.org/abs/2606.12289
作者:Pietro Barbiero, Giovanni De Felice, Mateo Espinosa Zarlenga, Francesco Giannini, Filippo Bonchi, Mateja Jamnik, Giuseppe Marra, Ruggero Noris
英文摘要:As Artificial Intelligence models grow in complexity, interpretability has become an indispensable tool for understanding, debugging, and controlling their computations. However, interpretability lacks general theories to deductively design interpretable methods. This gap between theories and methods results in a fragmented literature and inconsistent evaluation protocols. To fill this gap, we introduce the Standard Interpretable Model (SIM), a general theory grounded in Lagrangian mechanics that enables the deductive design of interpretable methods. Specifically, the SIM summarises, in a set of premises, what interpretability is for a target user. From these premises, the SIM systematically derives interpretability symmetries and corresponding constraints, which shape the landscape of a Lagrangian whose minima correspond to optimal interpretable models. To reach the minima, one can either update the parameter values of an opaque model to make it more interpretable or compile constraints into an interpretable architecture. We empirically show that the SIM identifies and solves limitations of existing methods (including traditional, concept-based, and mechanistic interpretability), highlights underexplored research directions, and informs the design of core programming interfaces. Beyond being a research method, the deductive nature of the SIM offers pedagogical grounding for interpretability curricula and may shift the scientific community's perspective of a discipline that has long been fragmented.
101. Anatomy of Post-Training: Using Interpretability to Characterize Data and Shape the Learning Signal
后训练的解剖:利用可解释性表征数据并塑造学习信号
AI 总结:提出基于可解释性的数据后训练流程,通过统计假设识别偏好数据中的潜在概念,实现细粒度反馈,减少虚假关联和不良行为。
链接:https://arxiv.org/abs/2606.12360
作者:Leon Bergen, Usha Bhalla, Sidharth Baskaran, Max Loeffler, Raphael Sarfati, Dhruvil Gala, Ryan Panwar, Santiago Aranguri, Thomas Fel, Atticus Geiger, Matthew Kowal, Siddharth Boppana, Daniel Balsam, Owen Lewis, Jack Merullo, Thomas McGrath, Ekdeep Singh Lubana
英文摘要:Language-model post-training is the main stage at which model behavior is shaped, yet it still largely involves optimization of scalar rewards that summarize diverse desiderata. This abstraction gives practitioners little visibility into what their data actually teaches models, allowing spurious correlations to be learned by a model and inducing undesirable behaviors such as over-stylization and sycophancy. To address this problem, we ask: can we inspect a preference dataset before optimization and decide, at the level of concepts, which behaviors a model should be allowed to learn? Motivated by this, we introduce a data-centric post-training pipeline that uses interpretability protocols to develop statistical hypotheses for the latent concepts separating preferred from dispreferred generations, making them explicit for fine-grained user feedback. Building on this view, we unify several interpretability-based training protocols as ways of shaping rewards via feature or data interventions. Empirically, we show that our pipeline diagnoses undesirable signals in existing preference data, mitigates off-target learning, and can also help amplify or shape desired properties such as safeguards and model personality. More broadly, our results suggest that interpretability can turn post-training from optimizing opaque proxy rewards into a process of auditing and sculpting the learning signal itself.