ICML 2026 论文列表

While recent advancements in Vector Quantization (VQ) models have successfully achieved complete codebook utilization, a critical bottleneck remains largely unexplored: the effective dimensionality of the codebook embedding space. We observe that discrete codebook representations tend to degenerate into low-dimensional subspaces, characterized by significantly lower effective rank than continuous representations during quantization. Through comprehensive spectral analysis, we identify that this dimensional collapse stems from the suppression of low-variance components inherent to the vector quantization process, thereby severely limiting the expressive capacity of VQ models. To mitigate this fundamental issue, we propose a simple yet effective codebook regularization strategy designed to restore low-variance components, effectively bridging the spectral gap between discrete codebook spaces and continuous representations. Extensive experiments demonstrate that this regularization objective is compatible with diverse VQ training paradigms, yielding significant improvements in reconstruction fidelity and downstream performance in autoregressive image generative models.

Automatic Heuristic Design (AHD) has emerged as a transformative approach for solving combinatorial optimization problems. While recent Large Language Model (LLM)-based methods have shown promise, they predominantly rely on fixed evolutionary operators and struggle to effectively accumulate and reuse historical search experience. This paper proposes RefineEvo, a novel evolutionary framework that transforms AHD from a static trial-and-error process into a planning-guided, experience-driven system. RefineEvo introduces a Planner to dynamically schedule evolutionary operators and trigger refinement based on the current search state, and a Reflector to distill valuable lessons into a Bidirectional Experience Pool containing both positive insights and negative pitfalls. This synergistic framework enables the system to adapt its search tools to the evolving complexity of the problem and leverage trajectory-aware, situation-conditioned insights to guide generation. Experiments on several classic combinatorial optimization benchmarks demonstrate that RefineEvo consistently outperforms strong baselines. In particular, RefineEvo delivers superior solution quality while improving token efficiency, enabling more efficient and autonomous heuristic design.

Large language models can resist task-misaligned activation steering during inference, sometimes recovering mid-generation to produce improved responses even when steering remains active. We term this Endogenous Steering Resistance (ESR). Using sparse autoencoder (SAE) latents to steer model activations, we find that Llama-3.3-70B shows substantial ESR, while smaller models from the Llama-3 and Gemma-2 families exhibit the phenomenon less frequently. We identify 26 ``off-topic detector'' latents that predict ESR episodes in Llama-3.3-70B. Zero-ablating these latents reduces the multi-attempt rate by 25\%, providing causal evidence for dedicated internal consistency-checking circuits. We demonstrate that ESR can be deliberately enhanced through both prompting and training: meta-prompts instructing the model to self-monitor increase the multi-attempt rate by 5$\times$ for Llama-3.3-70B, and fine-tuning on self-correction examples successfully induces ESR-like behavior in smaller models. These findings have dual implications: ESR could protect against adversarial manipulation but might also interfere with beneficial safety interventions that rely on activation steering. Understanding and controlling these resistance mechanisms is important for developing transparent and controllable AI systems.

Nowcasting forms the first line of defense against rapidly evolving weather hazards, where even minutes of delay can lead to severe societal impacts. However, existing systems predominantly extrapolate 2D radar reflectivity, which struggles under rapid intensification regimes. We introduce StormInsight, a multi-scale modeling framework that enables coherent reconstruction of the three-dimensional evolution of convective systems while explicitly conditioning on the ambient environment. StormInsight integrates multi-source observations—including radar, satellite, and station—with reanalysis fields through two components: (i) Storm Evolution Encoder that explicitly disentangles convective system state form vertical thermodynamic coupling and large-scale environmental forcing; (ii) Convective System Decoder that predicts future echos by adaptively aggregating cross-layer interactions conditioned on evolving environmental conditions. To support comprehensive evaluation, we build a new benchmark StormBench that integrates observational and reanalysis data across regions. On this benchmark, StormInsight consistently achieves the best performance, reducing MAE by 12.4% and improving the mCSI by 34.0%.

Despite their dominance in vision and language, deep neural networks often underperform relative to tree-based models on tabular data. To bridge this gap, we incorporate five key inductive biases into deep tabular learning: robustness to irrelevant features, axis alignment, localized irregularities, feature heterogeneity, and training stability. We propose *LassoFlexNet*, an architecture that evaluates the linear and nonlinear marginal contribution of each input via Per-Feature Embeddings, and sparsely selects relevant variables using a Tied Group Lasso mechanism. Because these components introduce optimization challenges that destabilize standard proximal methods, we analyze stochastic hierarchical proximal dynamics and develop a *Sequential Hierarchical Proximal Adaptive Gradient optimizer with exponential moving averages (EMA)* designed to stabilize training in practice. Across 52 datasets from three benchmarks, LassoFlexNet matches or outperforms leading tree-based models, achieving up to a $10$\% relative gain, while maintaining Lasso-like interpretability. We substantiate these empirical results with ablation studies and theoretical proofs confirming the architecture's enhanced expressivity and structural breaking of undesired rotational invariance.

Explanations of model behavior are commonly evaluated via proxy properties weakly tied to the purposes explanations serve in practice. We contribute a decision theoretic framework that treats explanations as information signals valued by the expected improvement they enable on a specified decision task. This approach yields three distinct estimands: (i) a theoretical benchmark that upper-bounds achievable performance by any agent with the explanation, (ii) a human-complementary value that quantifies the theoretically attainable value that is not already captured by a baseline human decision policy, and (iii) a behavioral value representing the causal effect of providing the explanation to human decision-makers. We instantiate these definitions in a practical validation workflow, and apply them to assess explanation potential and interpret behavioral effects in human–AI decision support and mechanistic interpretability.

By introducing routers to selectively activate experts in Transformer layers, the mixture-of-experts (MoE) architecture significantly reduces computational costs in large language models (LLMs) while maintaining competitive performance, especially for models with massive parameters. However, prior work has largely focused on utility and efficiency, leaving the safety risks associated with this sparse architecture underexplored. In this work, we show that the safety of MoE LLMs is as sparse as their architecture by discovering $\text{\emph{unsafe routes}}$: routing configurations that, once activated, convert safe outputs into harmful ones. Specifically, we first introduce the $\underline{\text{Ro}}$uter $\underline{\text{Sa}}$fety $\underline{\text{i}}$mportance $\underline{\text{s}}$core ($\textbf{RoSais}$) to quantify the safety criticality of each layer's router. Manipulation of only the high-RoSais router(s) can flip the default route into an unsafe one. We further propose a $\underline{\text{F}}$ine-grained token-layer-wise $\underline{\text{S}}$tochastic $\underline{\text{O}}$ptimization framework to discover more concrete $\underline{\text{U}}$nsafe $\underline{\text{R}}$outes ($\textbf{F-SOUR}$), which explicitly considers the sequentiality and dynamics of input tokens. Across four representative MoE LLM families, F-SOUR achieves an average ASR of 0.90 and 0.98 on JailbreakBench and AdvBench, respectively. Finally, we outline defensive perspectives, including safety-aware route disabling and router training, as promising directions to safeguard MoE LLMs. We hope our work can inform future red-teaming and safeguarding of MoE LLMs. Our code is available at https://github.com/TrustAIRLab/UnsafeMoE.

The operational cost of serving large language models remains prohibitively high, largely due to extreme workload heterogeneity in production traffic. We observe that combining disaggregated inference with resource autoscaling enables fine-grained resource adjustment, allowing inference phases and operations to scale independently based on their specific bottlenecks. Building on this insight, we propose HexGen-3, a cost-effective LLM serving framework that leverages a fully disaggregated inference architecture and heterogeneous resource autoscaling. HexGen-3 introduces two key components: (i) A hierarchical scheduling framework that jointly optimizes resource allocation and parallelism configuration for any given resource provisioning, and (ii) an autoscaling framework that dynamically adjusts resources and triggers deployment rescheduling in response to workload fluctuations. Experiments comparing HexGen-3 against state-of-the-art LLM serving systems demonstrate up to 60% (on average 46.5%) improvement in per-cost throughput under static resource provisioning, and up to 78.3% (on average 55.1%) improvement with autoscaling enabled under dynamic workloads.

Pixel-based reinforcement learning agents often fail under purely visual distribution shift even when latent dynamics and rewards are unchanged, but existing benchmarks entangle multiple sources of shift and hinder systematic analysis. We introduce KAGE-Env, a JAX-native 2D platformer that factorizes the observation process into independently controllable visual axes while keeping the underlying control problem fixed. By construction, varying a visual axis affects performance only through the induced state-conditional action distribution of a pixel policy, providing a clean abstraction for visual generalization. Building on this environment, we define KAGE-Bench, a benchmark of six known-axis suites comprising 34 train-evaluation configuration pairs that isolate individual visual shifts. Using a standard PPO-CNN baseline, we observe strong axis-dependent failures, with background and photometric shifts often collapsing success, while agent-appearance shifts are comparatively benign. Several shifts preserve forward motion while breaking task completion, showing that return alone can obscure generalization failures. Finally, the fully vectorized JAX implementation enables up to 33M environment steps per second on a single GPU, enabling fast and reproducible sweeps over visual factors. Code: https://avanturist322.github.io/KAGEBench/

A key challenge in probabilistic regression is ensuring that predictive distributions accurately reflect true empirical uncertainty. Minimizing overall prediction error often encourages models to prioritize informativeness over calibration, producing narrow but overconfident predictions. However, in safety-critical settings, trustworthy uncertainty estimates are often more valuable than narrow intervals. Realizing the problem, several recent works have focused on post-hoc corrections; however, existing methods either rely on weak notions of calibration (such as PIT uniformity) or impose restrictive parametric assumptions on the nature of the error. To address these limitations, we propose a novel nonparametric re-calibration algorithm based on conditional kernel mean embeddings, capable of correcting calibration error without restrictive modeling assumptions. For efficient inference with real-valued targets, we introduce a novel characteristic kernel over distributions that can be evaluated in $\mathcal{O}(n \log n)$ time for empirical distributions of size $n$. We demonstrate that our method consistently outperforms prior re-calibration approaches across a diverse set of regression benchmarks and model classes.

While RAG systems are increasingly deployed in dynamic web search, temporal volatility amplifies their vulnerability to adversarial attacks. Existing static-oriented defenses struggle to handle evolving threats and incur prohibitive storage costs in dynamic settings. We propose RADAR, a framework that models reliable context selection as a graph-based energy minimization problem, solved exactly via Max-Flow Min-Cut. By incorporating a Bayesian memory node, RADAR recursively updates a belief state instead of archiving raw historical documents, effectively balancing stability against attacks with adaptability to genuine knowledge shifts. Experiments on a novel dynamic dataset show that RADAR achieves superior robustness and response quality with minimal storage overhead compared to the baselines.

The training of deep Spiking Neural Networks (SNNs) has traditionally relied on Batch Normalization (BN), which stabilizes input currents and gradients during training. However, BN is not a universal solution. It is unsuitable for variable-length tasks and scenarios with reduced batch size, constraining the development of deep SNNs, where removing BN typically causes the training to fail to converge. This dependence stems not from a fundamental necessity of BN but from the current lack of reasonable initialization methods for SNNs. This paper addresses this core limitation by proposing SpikeInit, a novel initialization framework for SNNs. By modeling the response curve and gradient of spiking layers, SpikeInit initializes the weights and shape parameters of surrogate gradients to maintain stable firing rates during forward propagation and stable gradient magnitudes during backpropagation. Extensive experiments demonstrate that deep SNNs with SpikeInit can be trained stably without normalization and achieve superior performance compared to their normalized counterparts under identical settings. Furthermore, we demonstrate the scalability of SpikeInit by successfully training an ultra-deep, 1000-layer SNN without normalization. Our work provides a foundational step toward large-scale normalization-free SNN, liberating SNN design from the constraints of normalization.

Hebbian and anti-Hebbian plasticity are widely observed in the brain and are classically modeled as mechanistic, local homosynaptic rules stabilized by homeostatic constraints. This raises an identifiability question: does observing Hebbian/anti-Hebbian structure in synaptic updates uniquely imply an underlying Hebbian computation? We identify an alternative, emergent route. We show that near stationarity, L2 weight decay generically drives the \emph{learning-signal} component of many update rules to align with a Hebbian direction, with alignment increasing monotonically with decay strength. This Hebbian-like signature is not specific to SGD and can arise even for non-learning or random update rules long before learning has ceased. We further show that stochastic noise in the learning signal can induce anti-Hebbian alignment, yielding a simple tradeoff with weight decay and a phase boundary in regression settings. These mechanisms do not replace standard Hebbian theory; they can coexist with genuine Hebbian plasticity and complicate the interpretation of synaptic measurements, motivating experiments that distinguish mechanistic Hebbian computation from emergent Hebbian signatures.

The synthesis of inductive loop invariants remains a critical bottleneck in automated program verification. While Large Language Models (LLMs) show promise in mitigating this issue, they often fail on complex programs, producing invariants that are invalid or computationally ineffective. Although fine-tuning is a natural strategy to address these limitations, obtaining high-quality training data remains an open challenge. We first formalize the properties required for a high-quality training invariant, and then present \textsc{Wonda}, a rigorous data curation pipeline that extracts such invariants from raw verifier output via AST-based normalization followed by LLM-driven semantic rewriting and augmentation with provable quality guarantees. Fine-tuning Small Language Models (SLMs) on \textsc{Wonda}-curated data yields consistent gains across the Qwen3, Llama-3.1, and Mistral families: the 4B and 8B Qwen3 models nearly double invariant correctness and double speedup rates, while Llama-3.1-8B triples both. On the challenging InvBench suite, the same 4B model outperforms an off-the-shelf model 20$\times$ its size and matches the end-to-end verification time of GPT-OSS-120B, while a 14B Qwen3 model matches that of the frontier model GPT-5.2, all without test-time compute overhead. Our code is publicly available on \href{https://github.com/idopinto/wonda}{GitHub}.

Transformers have demonstrated remarkable in-context learning (ICL) capabilities. The strong ICL performance of transformers is commonly believed to arise from their ability to implicitly execute certain algorithms on the context, thereby enhancing prediction and generation. In this work, we investigate how transformers with softmax attention perform in-context learning on linear classification data. We first construct a class of multi-layer transformers that can perform in-context logistic regression, with each layer exactly performing one step of normalized gradient descent on an in-context loss. Then, we show that our constructed transformer can be obtained through (i) training a single self-attention layer supervised by one-step gradient descent, and (ii) recurrently applying the trained layer to obtain a looped model. Training convergence guarantees of the self-attention layer and out-of-distribution generalization guarantees of the looped model are provided. Our results advance the theoretical understanding of ICL mechanism by showcasing how softmax transformers can effectively act as in-context learners.

Upweighting high-quality data in LLM pretraining often improves performance, but in data-limited regimes, especially under overtraining, stronger upweighting increases repetition and can degrade performance. However, standard scaling laws do not reliably extrapolate across mixture recipes or under repetitions, making the selection for optimal data recipes at scaling underdetermined. To solve this, we introduce \textbf{InfoLaw} (Information Scaling Laws), a data-aware scaling framework that predicts loss from consumed tokens, model size, data mixture weights, and repetition. The key idea is to model pretraining as information accumulation, where quality controls information density and repetition induces scale-dependent diminishing returns. We first collect the model performance after training on datasets that vary in scale, quality distribution, and repetition level. Then we build up the modeling for information so that information accurately predicts those model performance. InfoLaw predicts performance on unseen data recipes and larger-scale runs (up to 7B, 425B tokens) with 0.15\% mean and 0.96\% max absolute error in loss, and it extrapolates reliably across overtraining levels, enabling efficient data-recipe selection under varying compute budgets.

Diffusion Large Language Models (dLLMs) have emerged as a promising alternative to purely autoregressive language models because they can decode multiple tokens in parallel. However, state-of-the-art block-wise dLLMs rely on a ``remasking" mechanism that decodes only the most confident tokens and discards the rest, effectively wasting computation. We demonstrate that recycling computation from the discarded tokens is beneficial, as these tokens retain contextual information useful for subsequent decoding iterations. In light of this, we propose Residual Context Diffusion (RCD), a module that converts these discarded token representations into contextual residuals and injects them back for the next denoising step. RCD uses a decoupled two-stage training pipeline to bypass the memory bottlenecks associated with backpropagation. We validate our method on both long CoT reasoning (SDAR) and short CoT instruction following (LLaDA) models. We demonstrate that a standard dLLM can be efficiently converted to the RCD paradigm with merely $\sim$300 million tokens. RCD consistently improves frontier dLLMs by 4--11 percentage points in accuracy with minimal extra computation overhead across a wide range of benchmarks. Notably, on the most challenging AIME tasks, RCD nearly doubles baseline accuracy and attains up to 4--5x fewer denoising steps at baseline's peak accuracy.

Macro placement is a fundamental step in modern VLSI physical design, determining the solution quality of high-dimensional combinatorial optimization problems. Despite recent advancements in machine learning for spatial coordinate determination, the temporal dimension of placement sequencing remains largely governed by static heuristics. In this work, we demonstrate that the placement sequence is not merely a preprocessing step but a decisive factor in optimization, where suboptimal early decisions trigger irreversible domino effects that constrain the solution space. To harness this unexplored dimension, we propose \textbf{OrderPlace}, a novel framework that automates the discovery of macro placement strategies via proxy-guided Large Language Model (LLM) evolution. Unlike existing methods that rely on manual rules like area or connectivity, OrderPlace leverages LLMs to evolve generalizable, code-level ordering strategies—ranging from static metrics to dynamic, physics-inspired mechanisms. To mitigate the prohibitive cost of evaluating sequences, we introduce a lightweight proxy evaluation mechanism that efficiently filters candidates using a deterministic greedy probe. Experimental results on the standard ISPD 2005 benchmarks demonstrate that OrderPlace discovers novel ordering strategies. Compared with WireMask-EA and the state-of-the-art method EGPlace, OrderPlace reduces wirelength by 34.04% and 14.08%, respectively.

Lateral connections (LCs) are ubiquitous in the cortical circuits. While DL architectures have rich intralayer interactions to support feature selectivity and contextual modulation, explicit excitatory and inhibitory (E-I) LCs remain underexplored and less-justified for encoding models in both DL and visual neuroscience. In this work, we analyze and train stabilized supralinear networks (SSNs) with strong E-I LCs, using local plasticity rules and natural images. We demonstrate that these LCs support a transition between dynamical regimes under different input conditions. During the transition, the network shifts from population coding that extracts features from low-contrast or noisy inputs by recruiting more neurons, to sparse coding at high contrast, utilizing considerably fewer neurons. This reduction in the number of active neurons has been generally associated with lower metabolic demand in previous experiments and models. We find the model showing better robustness and adaptiveness against sparse coding, ICA and other unsupervised models under degraded inputs, but not when LCs are ablated. These results support the role of E-I recurrence in dynamic coding strategies and the design of more adaptive and robust systems with a concrete example in vision.