ICML 2026 论文列表

Actor-critic (AC) methods are a cornerstone of reinforcement learning (RL) but offer limited interpretability. Current explainable RL methods seldom use \emph{state attributions} to assist training. Rather, they treat all state features equally, thereby neglecting the heterogeneous impacts of individual state dimensions on the reward. We propose *RKHS-SHAP-based Advanced Actor-Critic (RSA2C)*, an attribution-aware, kernelized, two-timescale AC algorithm, including Actor, Value Critic, and Advantage Critic. The Actor is instantiated in a vector-valued reproducing kernel Hilbert space (RKHS) with a Mahalanobis-weighted operator-valued kernel, while the Value Critic and Advantage Critic reside in scalar RKHSs. These RKHS-enhanced components use sparsified dictionaries: the Value Critic maintains its own dictionary, while the Actor and Advantage Critic share one. State attributions, computed from the Value Critic via RKHS-SHAP (kernel mean embedding for on-manifold and conditional mean embedding for off-manifold expectations), are converted into Mahalanobis-gated weights that modulate Actor gradients and Advantage Critic targets. We derive a global, non-asymptotic convergence bound under *state perturbations*, showing stability through the perturbation-error term and efficiency through the convergence-error term. Empirical results on three continuous-control environments show that RSA2C achieves efficiency, stability, and interpretability. Our code is available at https://github.com/Na-Li66/RSA2C.

Understanding gradient descent dynamics is key to explaining the success of over-parameterized models, where implicit bias manifests through conservation laws in gradient flow. While such laws are well understood for linear and ReLU networks, they remain largely unexplored for modern architectures. This work develops a unified framework to characterize conservation laws for contemporary models, including feedforward networks with GELU, SiLU, and SwiGLU activations, multihead attention with sinusoidal and rotary positional encodings, and Mixture-of-Experts architectures under diverse gating designs. Our theoretical findings are supported by experiments that validate the predicted invariants.

Clustering-based features are widely used in machine learning, but most methods must choose a resolution---a choice that is global, fixed, and ad hoc. Recent work shows that varying the resolution parameter produces only a finite set of structurally stable partitions, known as configurations. Based on this, we introduce Configuration-Mixed Prediction (CMP), a setting where models learn to adaptively weight these configurations per sample for downstream prediction. We propose MixConfig, a plug-and-play feature augmentation module that extracts configurations from any embedding and learns energy-aware mixing weights via a novel selector that jointly reasons about sample context, cluster assignments, and stability statistics. Experiments across tabular, molecular, vision, and text domains demonstrate consistent improvements over single-resolution and static baselines across diverse predictor architectures, with gains particularly pronounced in low-data regimes.

Higher-order structures are powerful relational modeling tools, yet existing spectral operators decompose topology into separate ranks, leaving practitioners to fuse information back to vertices through ad-hoc choices. We introduce _Collapsed Effective Operators_, which condense higher-order degrees of freedom into a single vertex-level operator via Schur complementation of a graded Laplacian. This yields a (generally dense) operator that encodes long-range interactions mediated by topology and is applicable to arbitrary higher-order constructs. We show it preserves positive semi-definiteness with a strict spectral upper bound relative to the rank-0 Hodge Laplacian, effectively lowering system energy under higher-order connectivity. Empirically, our operator improves spectral clustering, signal smoothing and enables the inclusion of topological features in neural network architectures via positional encoding.

4-bit quantization reduces the memory footprint and latency of large language model inference, but its aggressive precision reduction can severely degrade accuracy. Prior methods address this by decomposing each weight matrix into two components (e.g., via singular value decomposition) and quantizing them separately, assigning the bulk of values to a low-precision residual component while handling outliers with a high-precision low-rank component. However, such decompositions are designed to minimize the real-valued energy of the residual, rather than the post-quantization error of the residual and low-rank components. We propose TwinQuant, a 4-bit quantization framework that learns quantization-friendly decomposed subspaces and jointly reshapes both the low-rank and residual components. TwinQuant learns component-specific transformations via a joint optimization over the Stiefel and general linear manifolds, flattening their distributions and reducing dynamic-range imbalance. To enable efficient end-to-end execution, we further design a fused dual-component kernel that pipelines the two-stage low-rank computation on-chip and merges both components with a single epilogue, avoiding intermediate global-memory traffic. Across LLaMA3 and Qwen3 models, TwinQuant preserves near-FP16 accuracy and delivers up to $1.8\times$ end-to-end speedup over an FP16 baseline.

Analytical solutions to differential equations offer exact, interpretable insight but are rarely available because discovering them requires expert intuition or exhaustive search of combinatorial spaces. We introduce SIGS, a neuro-symbolic framework for equation-driven closed-form solution discovery. SIGS uses a context-free grammar to generate mathematically valid and physically meaningful building blocks, with a user-specified Ansatz prescribing how these blocks combine, embeds them into a topology-regularised continuous latent manifold, and searches this manifold in two stages: structure selection followed by coefficient refinement using gradient descent, scoring candidates only against the PDE residual and prescribed boundary and initial conditions. This design unifies symbolic reasoning with numerical optimization; the grammar constrains candidate solution blocks to be proper by construction, while the latent search makes exploration tractable and data-free. SIGS is the first neuro-symbolic method to (i) recover analytical solutions for coupled nonlinear PDE systems, (ii) discover equivalent symbolic forms when the grammar lacks the natural primitives, and (iii) produce accurate symbolic approximations for PDEs lacking known closed-form solutions. Overall, SIGS improves over existing symbolic methods by orders of magnitude in both accuracy and runtime across standard PDE benchmarks.

Spiking Neural Networks (SNNs) enable event-driven computation with sparse activations, but building multimodal Transformers on SNNs is hindered by unstable training in deep spiking stacks and a mismatch between dense softmax attention and spike-based communication. We propose SMM Transformer, an SNN-based multimodal Transformer framework that combines (i) a Parallel LIF with Multistage Learnable Parameters (PLMP) neuron and a tailored P-STBP algorithm to stabilize training, (ii) a spike-driven attention approximation (SMSA) with a lightweight self-compensation branch, and (iii) a spiking mixture-of-experts (SMoE) module for modality-aware fusion. Across visual and multimodal benchmarks, SMM Transformer achieves competitive accuracy compared to ANN baselines while reducing the estimated compute energy of the attention module by up to 97\% under a standard MAC/AC cost model.

Sufficient dimension reduction (SDR) makes high-dimensional regression tractable by projecting the covariates onto a low-dimensional subspace that preserves the conditional mean of the response. Existing gradient-based estimators either operate in the ambient space and suffer from the curse of dimensionality, or localize in the reduced space at a per-outer-iteration cost at least quadratic in the sample size. We show that minimizers of the population Minimum Average Variance Estimation (MAVE) risk approximate the same Grassmannian target as the Outer Product of Gradients (OPG), and recast the empirical criterion as a smooth maximization on the Stiefel manifold with closed-form Riemannian gradient. The resulting algorithm, SMAVE, combines sparse projected-space nearest-neighbor localization with Riemannian stochastic gradient ascent. A simplified version comes with almost-sure convergence and a non-asymptotic rate matching the standard non-convex stochastic first-order scaling. Empirically, SMAVE matches or improves on RMAVE's synthetic subspace recovery at moderate-to-high ambient dimension, and on four real datasets it uniformly improves over OPG and is competitive with or outperforms RMAVE at orders of magnitude lower runtime.

Optimizing OS kernels for specific applications is vital for peak performance, yet existing LLM-based methods struggle with a semantic mismatch between generalized reasoning and low-level system behaviors. As a result, these static, open-loop approaches suffer from runtime blindness, configuration fragmentation, and search drift, ultimately failing to unlock the system’s performance potential. To address this, we propose QiMeng-PerceptOS, an autonomous framework that shifts the paradigm to perception-driven tuning. QiMeng-PerceptOS integrates: (1) a Perception Module that aligns raw telemetry into high-fidelity semantic fingerprints; (2) a Global Search Module utilizing a Bi-level Hierarchical Induction Tree (BHIT) for global navigation and efficient pruning; and (3) a Posterior Enhancement Module to suppress hallucinations via trajectory synthesis. Experiments across diverse workloads show that it achieves significant performance breakthroughs by optimizing kernel configurations, reaching 296.6% of default Redis throughput and surpassing SOTA baselines by 32.6% within only 15 iterations. By establishing a perception-driven closed-loop, QiMeng-PerceptOS provides new insights for fully automated, large-scale system optimization.

Bayesian additive spanning tree (BAST) is an useful tool for interpretable, non-parametric regression on complex constrained domains. It improves upon the performance of Bayesian additive regression trees (BART) by replacing axis-aligned splits through binary tree components by cuts on a spanning tree components, enabling the formation of contiguous splits that respect the underlying complex structure. While BAST is effective for learning on constrained spaces, it still relies on hard partitions, albeit on spanning trees, which limits its ability to represent smoothly varying functions on constrained domains. We propose Probabilistically-routed Bayesian additive spanning trees (PR-BAST), a principled relaxation that replaces hard cuts on spanning tree components with probabilistic routing along spanning tree components. PR-BAST represents the regression surface as an additive ensemble of such spanning tree-aligned smooth components. Conditional on a fixed spanning tree, each component in PR-BAST induces a Gaussian random field with a sparse, tree-structured precision matrix, enabling scalable posterior computation via sparse linear algebra. We theoretically establish that PR-BAST yields strictly faster posterior contraction rates compared to BAST under graph-smooth truth. Experiments on synthetic and real datasets demonstrate that PR-BAST consistently improves accuracy over BAST and other baselines, while retaining the interpretability of tree-based models.

Masked diffusion language models enable parallel token generation and offer improved decoding efficiency over autoregressive models. However, their performance degrades significantly when generating multiple tokens simultaneously, due to a mismatch between token-level training objectives and joint sequence consistency. In this paper, we propose ME-DLM, an edit-based refinement framework that augments diffusion generation with lightweight post-editing steps. After producing an initial complete response, the model refines it through minimal edit operations, including replacement, deletion, and insertion, conditioned on the full sequence. Training supervision is derived from edit distance, providing a deterministic signal under a fixed canonicalization scheme for learning minimal corrections. This approach encourages sequence-level consistency through globally conditioned edits while preserving the efficiency benefits of parallel diffusion decoding. Extensive experiments demonstrate that ME-DLM improves the quality and robustness of multi-token parallel generation. In particular, when built upon LLaDA, our method achieves consistent gains of 11.6 points on HumanEval and 33.6 points on GSM8K while using one-eighth of the total diffusion steps. Code is available at https://github.com/renhouxing/ME-DLM.

We propose a Likelihood Matching approach for training diffusion models by first establishing an equivalence between the likelihood of the target data distribution and a likelihood along the sample path of the reverse diffusion. To efficiently compute the reverse sample likelihood, the equivalence, a quasi-likelihood is considered to approximate each reverse transition density by a Gaussian distribution with matched conditional mean and covariance, respectively. The score and Hessian functions for the diffusion generation are estimated by maximizing the quasi-likelihood, ensuring a consistent matching of both the first two transition moments between every two time points. A stochastic sampler is introduced to facilitate the computation that leverages both the estimated score and Hessian information. We establish consistency of the quasi-maximum likelihood estimation, and provide non-asymptotic convergence guarantees for the proposed sampler, quantifying the rates of the approximation errors due to score and Hessian estimation, dimensionality, and the number of diffusion steps. Empirical and simulation evaluations demonstrate the effectiveness of the proposed Likelihood Matching and validate the theoretical results.

Quantizing LLM weights and activations is a standard approach for efficient deployment, but a few extreme outliers can stretch the dynamic range and amplify low-bit quantization errors. Prior transform-based mitigations (e.g., Hadamard rotations) are fixed and data-agnostic, and their optimality for quantization has remained unclear. We derive closed-form optimal linear blockwise transforms for joint weight-activation quantization under standard RTN AbsMax-scaled block quantizers, covering both integer and floating-point formats. The resulting construction, WUSH, combines a Hadamard backbone with a data-dependent second-moment component to form a non-orthogonal transform that is provably near-optimal for FP and INT quantizers under mild assumptions while admitting an efficient fused GPU implementation. Empirically, WUSH improves W4A4 accuracy over the strongest Hadamard-based baselines (e.g., on Llama-3.1-8B-Instruct in MXFP4, it gains +2.8 average points with RTN and +0.7 with GPTQ) while delivering up to 5.8$\times$ per-layer throughput over BF16 via FP4 MatMul. Source code is available at https://github.com/IST-DASLab/WUSH.

Solving large-scale Generalized Eigenvalue Problems (GEPs) is a fundamental yet computationally prohibitive task in science and engineering. As a promising direction, contour integral (CI) methods offer an efficient and parallelizable framework. However, their performance is critically dependent on the selection of \textit{integration contours}---improper selection without reliable prior knowledge of eigenvalue distribution can incur significant computational overhead and compromise numerical accuracy. To address this challenge, we propose **Deepcontour**, a novel hybrid framework that integrates a deep learning-based spectral predictor with Kernel Density Estimation (KDE) for principled contour design. Specifically, Deepcontour utilizes its specialized Eigen-Neural-Operator (ENO) to provide rapid spectral distribution priors, driving a KDE module to automatically construct the optimized integration contours, which guide the CI solver to efficiently find the desired eigenvalues. Deepcontour achieves up to a 5.63x speedup across diverse scientific datasets while maintaining strict numerical rigor. By merging the predictive power of deep learning with the numerical rigor of classical solvers, this work establishes an efficient and robust paradigm for solving large-scale GEPs.

Model-based representations recently stand out as a promising framework that embeds latent dynamics information into the representations for downstream off-policy actor-critic learning. It implicitly combines the advantages of both model-free and model-based approaches while avoiding the training costs associated with model-based methods. Nevertheless, existing model-based representation methods can fail to capture sufficient information about relevant variables and can overfit to early experiences in the replay buffer. These incur biases in representation and actor-critic learning, leading to inferior performance. To address this, we propose Debiased model-based Representations for Q-learning, tagged DR.Q algorithm. DR.Q explicitly maximizes the mutual information between the representations of the current state-action pair and the next state besides minimizing their deviations, and samples transitions with faded prioritized experience replay. We evaluate DR.Q on numerous continuous control benchmarks with a single set of hyperparameters, and the results demonstrate that DR.Q can match or surpass recent strong baselines, sometimes outperforming them by a large margin. Our code is available at https://github.com/dmksjfl/DR.Q.

Inferring continuous probability paths from sparse snapshots is a fundamental challenge in domains like single-cell biology, where high-fidelity data acquisition is often destructive and constrained by prohibitive sequencing costs. This motivates the need for active learning strategies to strategically select optimal measurement times. However, designing active learning policies for this setting remains an open problem: the target objects reside on the infinite dimensional Wasserstein space where standard Euclidean metrics are ill-defined, and current interpolation methods lack epistemic uncertainty quantification. We introduce a framework which extends active experimentation to the space of measures. By leveraging Linearized Optimal Transport (LOT), we map distributional snapshots into a tangent space amenable to Gaussian Process modeling, allowing us to construct a tractable probabilistic surrogate for the underlying probability path. This yields an acquisition policy that iteratively selects measurement times to minimize uncertainty. Empirical results demonstrate that our strategy outperforms uncertainty-agnostic baselines on both synthetic and real-world datasets.

Neuromodulation can be viewed as closed-loop control of high-dimensional spatiotemporal fields on irregular 3D morphologies, coupling membrane electrophysiology with ionic reaction--diffusion. This view supports high-rate feedback and systematic in-silico evaluation, yet is difficult in practice. Unlike classical PDE control with known equations on regular domains, neuronal microenvironments exhibit complex, often unknown biophysics on irregular shapes. High-fidelity simulators are too costly for real-time control with repeated planning. The discretized field is sparsely observed and must satisfy hard full-field safety constraints. We introduce NeuronCtrl, a modular operator-level framework for safe, closed-loop generative control of neuronal microenvironment dynamics. Given measurements, actions, and morphology, a history-conditioned observer infers the latent field, a morphology-aware neural operator predicts one-step dynamics, and a flow-matching conditional flow proposes actions conditioned on user preferences. Safety is enforced via complementary barrier-based mechanisms at both the action and field levels, with minimal intervention. When latency is critical, the multi-step generator is distilled into a single-step policy while retaining the same safety filter. Experiments across three high-fidelity 3D neuromodulation benchmarks spanning deep brain stimulation, extracellular reaction--diffusion control, and astrocytic potassium regulation demonstrate improved trade-offs among cost, safety, and latency. Code is available at https://github.com/HowieHsu0126/NeuronControl.

In crowdsourcing scenarios, to mitigate the impact of noisy labels assigned by non-expert workers, each instance is typically annotated multiple times by different workers. However, repeated annotation can introduce instance- or label-level redundancy, thereby inflating annotation costs. Despite its practical importance, research on repeated annotation strategies remains limited, and no existing strategy simultaneously avoids being offline, instance-unaware, and model-centric. In this paper, we propose a model-agnostic active annotation strategy, MA$^3$S, that addresses these limitations: (1) To reduce label redundancy caused by offline procedure, MA$^3$S estimates instance uncertainties with a margin-Beta distribution and updates them online as new labels arrive. (2) To prevent instance redundancy induced by instance-unaware designs, MA$^3$S constructs a nearest-neighbor graph to propagate instance uncertainties, reducing repeated annotations of similar instances. (3) To avoid being model-centric, MA$^3$S actively selects instances for annotation based solely on the estimated uncertainties, without relying on model feedback. Extensive experiments on synthetic and real-world datasets demonstrate that MA$^3$S consistently outperforms existing annotation strategies.

Traditional instrumental variable (IV) estimators cannot accommodate more treatments than instruments, a limitation that is critical for high-dimensional, unstructured data like clinical treatment pathways. Current practice—applying unsupervised dimension reduction before IV estimation—suffers from substantial omitted treatment bias because the representation learning step ignores the instrument. We propose a novel framework that constructs treatment representations by explicitly incorporating instrumental variables. We prove that this instrument-guided approach ensures the identification of optimal outcome-prediction directions even with limited instruments. Validation on large-scale, semi-synthetic clinical data derived from a major hospital, along with other simulations, shows that our approach significantly outperforms conventional two-stage methods.