ICML 2026 论文列表

Mechanistic interpretability of Transformer models commonly relies on training auxiliary proxy models, such as Sparse Autoencoders or Cross-Layer Transcoders. While effective, these post-hoc approaches introduce approximation bias and incur substantial computational overhead. We propose an alternative, training-free interpretability framework that directly exploits the Singular Value Decomposition (SVD) of weight matrices in Transformer MLP sublayers. By operating natively on model parameters, our method improves scalability while preserving fidelity to the original weights. We show that the projection matrices of MLP sublayers admit a natural decomposition into orthogonal, interpretable rank-1 subspaces, which we term **Detector-Effector Units** (DEUs). Within each unit, a singular vector functions as a detector of input patterns and modulates a coupled effector vector that encodes output semantics. Building on this structure, we introduce **Subspace Contribution Analysis** (SCA), a diagnostic method that quantifies the direct causal contribution of individual native subspaces to model predictions. Experiments across the GPT-2 family demonstrate that our framework, **Native Network Anatomy** (NaNA), identifies dominant functional pathways with orders-of-magnitude efficiency gains over training-based interpretability baselines, while maintaining weight fidelity. Our results suggest that SVD-based analyses provide a scalable and faithful alternative to learned proxy approaches for mechanistic interpretability.

Charts are a fundamental visualization format for structured data analysis. Enabling end-to-end chart editing according to user intent is of great practical value, yet remains challenging due to the need for both fine-grained control and global structural consistency. Most existing approaches adopt pipeline-based designs, where natural language or code serves as an intermediate representation, limiting their ability to faithfully execute complex edits. We introduce ChartE$^{3}$, an **E**nd-to-**E**nd Chart **E**diting benchmark that directly evaluates models without relying on intermediate natural language programs or code-level supervision. ChartE$^{3}$ focuses on two complementary editing dimensions: local editing, which involves fine-grained appearance changes such as font or color adjustments, and global editing, which requires holistic, data-centric transformations including data filtering and trend line addition. ChartE$^{3}$ contains over 1,200 high-quality samples constructed via an well-designed data pipeline with human curation. Each sample is provided as a triplet of a chart image, its underlying code, and a multimodal editing instruction, enabling evaluation from both visual and structural perspectives. Extensive benchmarking of state-of-the-art multimodal large language models reveals substantial performance gaps, particularly on global editing tasks, highlighting critical limitations in current end-to-end chart editing capabilities.

Diffusion models have achieved state-of-the-art performance in image generation tasks. However, training powerful diffusion models remains time-consuming, which limits their practical deployment. In this paper, we revisit the learning dynamics of diffusion models through the lens of *spectral bias*, a phenomenon in which deep neural networks prioritize learning low-frequency modes. Through an empirical analysis of diffusion training, we observe that diffusion models exhibit a **dual** spectral bias. First, over training iterations, they fit low-frequency components earlier than high-frequency details. Second, along the diffusion timesteps, early denoising steps mainly reconstruct coarse low-frequency content, while high-frequency details emerge in later steps. Motivated by this observation, we propose Frequency-aware Patch Selection **(FaPS)**, a general and fast training method for diffusion models that can be applied to both UNet and DiT backbones. Specifically, FaPS introduces a *frequency-aware gating* that adaptively selects image patches based on their frequency information and focuses computation only on the selected patches. Since the selection decisions are discrete and thus non-differentiable, we model the gating as a stochastic policy network and optimize it end-to-end using a policy gradient method. Our experiments demonstrate that FaPS achieves up to $\mathbf{3}\times$ faster training while maintaining comparable or superior generation quality, and improves the performance of diffusion models in limited-data settings.

Deep time series models are vulnerable to noisy data ubiquitous in real-world applications. Existing robustness strategies either prune data or rely on costly prior quantification, failing to balance effectiveness and efficiency. In this paper, we introduce DropoutIS, a model-agnostic plugın that shifts the paradigm from what to learn to how much to learn. DropoutTS employs a Sample-Adaptive Dropout mechanism: leveraging spectral sparsity to efficiently quantify instance-level noise via reconstruction residuals, it dynamically calibrates model learning capacity by mapping noise to adaptive dropout rates, selectively suppressing spurious fluctuations while preserving fine-grained fidelity. Extensive experiments across diverse noise regimes and open benchmarks show DropoutTS consistently boosts superior backbones' performance, delivering advanced robustness with negligible parameter overhead and no architectural modifications. Code is available at https://github.com/CityMind-Lab/DropoutTS.

Stem retrieval, the task of matching missing stems to a given audio submix, is a key challenge currently limited by models that discard temporal information. We introduce PHALAR, a contrastive framework achieving a relative accuracy increase of up to $\approx 70$% over the state-of-the-art while requiring $<50$% of the parameters and a 7$\times$ training speedup. By utilizing a Learned Spectral Pooling layer and a complex-valued head, PHALAR enforces pitch-invariant and phase-equivariant biases. PHALAR establishes new retrieval state-of-the-art across MoisesDB, Slakh, and ChocoChorales, correlating significantly higher with human coherence judgment than semantic baselines. Finally, zero-shot beat tracking and linear chord probing confirm that PHALAR captures robust musical structures beyond the retrieval task.

We investigate unpaired image inverse problems, a challenging setting where only independent, non-paired sets of noisy measurements and clean target signals are available for training. We propose a novel inverse problem solver based on Unbalanced Optimal Transport, called ***Unbalanced Optimal Transport Map for Inverse Problems (UOTIP)***. Our method formulates the reconstruction task—predicting clean target signals from noisy measurements—as learning a UOT Map from noisy measurement distribution to clean signal distribution by incorporating a likelihood-based cost function. By relaxing the exact marginal constraint, the UOT framework provides key advantages to our model: robustness to multi-level observation noise, adaptability to class imbalance between noisy and clean datasets, and generalizability to diverse noise-type scenarios. Furthermore, we theoretically demonstrate that incorporating a quadratic cost term ensures the existence and uniqueness of the transport map by satisfying the twist condition, even for ill-posed inverse problems. Our experiments demonstrate that UOTIP achieves state-of-the-art performance on unpaired image inverse problem benchmarks, across linear and nonlinear inverse problems.

Sparse attention has been proposed as a way to alleviate the quadratic cost of transformers, a central bottleneck in long-context training. A promising line of work is $\alpha$-entmax attention, a differentiable sparse alternative to softmax that enables input-dependent sparsity yet has lagged behind softmax due to the computational overhead necessary to compute the normalizer $\tau$. In this paper, we introduce AdaSplash-2, which addresses this limitation through a novel histogram-based initialization that reduces the number of iterations needed to compute $\tau$ to typically 1-2. The key idea is to compute a coarse histogram of attention scores on the fly and store it in on-chip SRAM, yielding a more accurate initialization that enables fast forward and backward computation. Combined with a sparsity-aware GPU implementation that skips zero blocks with low overhead, AdaSplash-2 matches or improves per-step training time relative to FlashAttention-2 when block sparsity is moderate-to-high (e.g., $>$60\%), which often occurs at long-context lengths. On downstream tasks, models trained with our efficient $\alpha$-entmax attention match softmax baselines at short-context lengths and achieve substantial gains in long-context settings.

When reliable target structures are unavailable at scale or phenotypes arise from dysregulated pathways, transcriptomic perturbations provide a system-level functional readout for drug action. In this work, we formalize Transcriptome-based Drug Design (TBDD) as a generative inverse problem: designing drug molecules conditioned on desired transcriptomic state transitions. We analyze the inherently ill-posed nature of this task, which is further complicated by the profound domain gap between biology and chemistry and by the sparsity of transcriptomic signals. To address these challenges, we propose CURE (A CellUlar Response Engine), a multi-resolution transcriptome-guided diffusion framework. CURE features a specialized Transcriptome Perturbation Functional Feature Extractor (TFE) that (1) distills function-oriented perturbation embeddings from pre/post states, (2) aligns these signatures to dual chemical views to bridge the cross-modal gap, and (3) performs heterogeneity-aware aggregation to extract robust state-specific signals from noisy transcriptomic data. Extensive evaluations on both standard benchmarks and rigorous out-of-distribution protocols demonstrate that CURE consistently outperforms strong baselines in structural quality and functional consistency. Furthermore, we validate its practical utility via a zero-shot gene-inhibitor design task, highlighting the potential of phenotype-driven generative discovery.

What formal languages can a recurrent neural language model recognize? Formal results in the literature conflict: some authors report Turing-completeness, while others show equivalence to regular languages. The reason for this discrepancy is that the underlying arithmetic model differs. The paper develops a unified algebraic account of the expressivity of recurrent neural networks, starting with a formal account of various arithmetic models. This account reduces expressivity to an algebraic question, e.g., whether a network's syntactic monoid divides a certain wreath product. As a case study, the paper revisits diagonal state-space models: the same architecture cannot implement an even-modulus counter once floating-point recurrences are enforced, yet realizes every even-modulus counter under unsigned-integer quantization.

Deep generative models based on neural differential equations have become state-of-the-art for many generation tasks. These models rely on ODE/SDE solvers that integrate from a prior distribution to the data distribution; in many applications it is also highly desirable to integrate in the inverse direction. Standard solvers, however, accumulate discretization errors that prohibit *exact inversion*, an inaccuracy that is unacceptable in precision-critical applications. Existing inversion methods suffer from poor stability and low order of convergence, and are strictly limited to the ODE setting. In this work, we propose *Rex*, a family of reversible exponential (stochastic) Runge-Kutta solvers obtained by applying Lawson methods to convert any explicit (stochastic) Runge-Kutta scheme into an algebraically reversible one for both diffusion ODEs *and* SDEs. Beyond a rigorous theoretical analysis---establishing arbitrary-order convergence and a non-zero region of linear stability---we empirically demonstrate that *Rex* achieves near-machine-precision reconstruction and improves Boltzmann sampling with flow models as well as image generation and editing with diffusion models.

Large language models (LLMs) achieve strong capabilities by scaling model capacity and training data, yet many real-world deployments rely on smaller models trained or adapted from low-resource data. This gap motivates the need for mechanisms to transfer knowledge from large, high-resource models to smaller, low-resource targets. While model merging provides an effective transfer mechanism, most existing approaches assume architecture-compatible models and therefore cannot directly transfer knowledge from large high-resource LLMs to heterogeneous low-resource targets. In this work, we propose a cross-architecture merging framework based on optimal transport (OT) that aligns activations to infer cross-neuron correspondences between heterogeneous models. The resulting transport plans are then used to guide direct weight-space fusion, enabling effective high-resource to low-resource transfer using only a small set of inputs. Extensive experiments across low-resource languages and specialized domains demonstrate consistent improvements over target models.

Vision–Language Models (VLMs) are increasingly deployed with web search tools, yet we still lack benchmarks that isolate a critical capability for real-world use: deciding when to search and how to steer search from ambiguous visual evidence, especially when multiple images provide overlapping or conflicting cues. We introduce NAVIGATE, a novel benchmark centered on images as primary evidence for open-web search planning and multi-step reasoning. It contains 500 questions across 20 domains and spans three difficulty tiers, from single-image, self-contained problems to multi-image joint search and multi-domain composition. Unlike prior benchmarks that specify explicit search targets, NAVIGATE evaluates search decision-making: models must infer whether external search is necessary and iteratively refine search directions based on holistic reasoning over visual cues. Across a broad set of VLMs and search-enabled systems, performance remains low, Gemini-3-Pro-Preview-Search reaches only 36.4% accuracy, highlighting persistent failures in cross-image grounding, search triggering, and search strategy coordination. We will release NAVIGATE publicly.

Image quality assessment (IQA) is inherently multi-dimensional, yet existing reward models are typically limited to a single task and become unstable when extended to multi-task settings. In particular, heterogeneous reward scales and variances across tasks can lead to conflicting optimization signals during reinforcement learning. We propose VisualScore, a unified visual evaluation framework that formulates multi-task IQA as structured, task-aware reasoning followed by continuous reward optimization. VisualScore produces interpretable rationales together with scalar quality scores under explicit evaluation principles. We construct a reasoning-enhanced reward modeling dataset via rejection sampling and initialize the model through supervised fine-tuning. VisualScore is then optimized with Group Relative Policy Optimization (GRPO) using a Gaussian-based continuous reward. To address multi-task reward conflicts and stabilize training, we introduce standard deviation filtering and entropy gating to normalize task-wise reward signals and suppress noisy updates. Experiments on technical quality, aesthetic quality, and text–image alignment show that VisualScore improves robustness, generalization, and interpretability, and can effectively guide text-to-image generation at test time without retraining.

Benchmark Design in Black-Box Optimization (BBO) is a fundamental yet open-ended topic. Early BBO benchmarks are predominantly human-crafted, introducing expert bias and constraining diversity. Automating this design process can relieve the human-in-the-loop burden while enhancing diversity and objectivity. We propose Evolution of Benchmark (EoB), an automated BBO benchmark designer empowered by the large language model (LLM) and its program evolution capability. Specifically, we formulate benchmark design as a bi-objective optimization problem towards maximizing (i) landscape similarity to target tasks and (ii) algorithm-differentiation ability across a portfolio of BBO solvers. Under this paradigm, EoB iteratively prompts LLM to evolve a population of benchmark programs and employs a reflection-based scheme to co-evolve the landscape and its corresponding program. Comprehensive experiments validate our EoB is a competitive candidate in multi-dimensional usages: 1) Benchmarking BBO algorithms; 2) Training and testing learning-assisted BBO algorithms; 3) Extending proxy for expensive real-world problems.

While Vision-Language-Action (VLA) models hold promise in embodied intelligence, their large parameter counts lead to substantial inference latency that hinders real-time manipulation, motivating parameter sparsification. However, as the environment evolves during VLA execution, the optimal sparsity patterns change accordingly. Static pruning lacks the adaptability required for environment dynamics, whereas fixed-interval dynamic layer pruning suffers from coarse granularity and high retraining overheads. To bridge this gap, we propose **EcoVLA**, a training-free, plug-and-play adaptive pruning framework that supports orthogonal combination with existing VLA acceleration methods. EcoVLA comprises two components: **E**nvironment-aware **A**daptive **P**runing (**EAP**) and **I**nterleaved **I**nference **O**rchestration (**$I^2O$**). EAP is a lightweight adaptive channel pruning method that incorporates the temporal consistency of the physical environment to update sparsity patterns. $I^2O$ leverages the FLOPs bubbles inherent in VLA inference to schedule the pruning method in parallel, ensuring negligible impact on latency. Evaluated on diverse VLA models and benchmarks, EcoVLA delivers state-of-the-art performance, achieving up to 1.60$\times$ speedup with only a 0.4% drop in success rate, and further reaches 2.18$\times$ speedup with only a 0.5% degradation when combined with token pruning. We further validate the effectiveness of EcoVLA on real-world robots. Our code is available [here](https://github.com/Echo-hyt/Ecovla).

Estimating the Conditional Average Treatment Effect (CATE) is constrained by the high cost of obtaining outcome measurements, making active learning valuable. However, conventional strategies suffer from a fundamental objective mismatch: they reduce uncertainty in model parameters or observable outcomes rather than the unobservable causal quantities of interest. We address this via the principle of causal objective alignment, positing that acquisition functions should target potential outcomes or CATE directly. We operationalize this through Causal-EPIG, a framework adapting Expected Predictive Information Gain to quantify uncertainty reduction in causal quantities. We derive two distinct strategies: a comprehensive approach that targets the joint potential-outcome structure, and a focused approach that directly targets the CATE estimand for sample efficiency. We provide theoretical justification for our framework, establishing a formal link between CATE estimation error and posterior uncertainty in causal quantities. Extensive experiments demonstrate that our strategies improve sample efficiency over standard baselines, and crucially, reveal that the preferred strategy is context-dependent, contingent on the base estimator and treatment-effect structure. Our framework thus provides a principled guide for sample-efficient CATE estimation in practice.

Exploring causal relationships in stochastic time series is a challenging yet crucial task with a vast range of applications, including finance, economics, neuroscience, and climate science. Many algorithms for Causal Discovery (CD) have been proposed; however, they often exhibit a high sensitivity to noise, resulting in spurious causal inferences on real data. In this paper, we observe that the frequency spectra of many real-world time series follow a power-law distribution, notably due to an inherent self-organizing behavior. Leveraging this insight, we build a robust CD method based on the extraction of power‑law spectral features that amplify genuine causal signals. Our method consistently outperforms state-of-the-art alternatives on both synthetic benchmarks and real-world datasets with known causal structures, demonstrating its robustness and practical relevance.

Evaluating LLM reliability via scalar probabilities often fails to capture the structural dynamics of reasoning. We introduce TRACED, a framework that assesses reasoning quality through theoretically grounded geometric kinematics. By decomposing reasoning traces into Progress (displacement) and Stability (curvature), we reveal a distinct topological divergence: correct reasoning manifests as high-progress, stable trajectories, whereas hallucinations are characterized by low-progress, unstable patterns (stalled displacement with high curvature fluctuations). Leveraging these signatures, our probabilistic framework achieves competitive performance and superior robustness across diverse benchmarks. Crucially, TRACED bridges geometry and cognition by mapping high curvature to "Hesitation Loops'' and displacement to ''Certainty Accumulation'', offering a physical lens to decode the internal dynamics of machine thought.

Semi-supervised imitation learning (SSIL) consists in learning a policy from a small dataset of action-labeled trajectories and a much larger dataset of action-free trajectories. Some SSIL methods learn an inverse dynamics model (IDM) to predict the action from the current state and the next state. An IDM can act as a policy when paired with a video model (VM-IDM) or as a label generator to perform behavior cloning on action-free data (IDM labeling). In this work, we first show that VM-IDM and IDM labeling learn the same policy in a limit case, which we call the IDM-based policy. We then argue that the previously observed advantage of IDM-based policies over behavior cloning is due to the superior sample efficiency of IDM learning, which we attribute to two causes: (i) the ground-truth IDM tends to be contained in a lower complexity hypothesis class relative to the expert policy, and (ii) the ground-truth IDM is often less stochastic than the expert policy. We argue these claims based on insights from statistical learning theory and novel experiments, including a study of IDM-based policies using recent architectures for unified video-action prediction (UVA). Motivated by these insights, we finally propose an improved version of the existing LAPO algorithm for latent action policy learning. We experiment on the Procgen, Push-T and LIBERO benchmarks.