ICML 2026 论文列表

The fundamental representational units (FRUs) of large language models (LLMs) remain undefined, limiting further understanding of their underlying mechanisms. In this paper, we introduce ***Atom Theory*** to systematically define, evaluate, and identify such FRUs, which we term atoms. Building on the atomic inner product (AIP), a non-Euclidean metric that captures the underlying geometry of LLM representations, we formally define atoms and propose two key criteria for ideal atoms: faithfulness ( $ R^2 $ ) and stability ( $ q^{\star} $ ). We further prove that atoms are identifiable under threshold-activated sparse autoencoders (TSAEs). Empirically, we uncover a pervasive representation shift in LLMs and demonstrate that the AIP corrects this shift to capture the underlying representational geometry, thereby grounding Atom Theory. We find that two widely used units, neurons and features, fail to qualify as ideal atoms: neurons are faithful ( $ R^2=1 $ ) but unstable ( $ q^{\star}=0.5 $% ), while features are more stable ( $ q^{\star}=68.2 $% ) but unfaithful ( $ R^2=48.8 $% ). To find atoms of LLMs, leveraging atom identifiability under TSAEs, we show via large-scale experiments that reliable atom identification occurs only when the TSAE capacity matches the data scale. Guided by this insight, we identify FRUs with near-perfect faithfulness ( $ R^2=99.9 $% ) and stability ( $ q^{\star}=99.8 $% ) across layers of Gemma2-2B, Gemma2-9B, and Llama3.1-8B, satisfying the criteria of ideal atoms statistically. Further analysis confirms that these atoms align with theoretical expectations and exhibit substantially higher monosemanticity. Overall, we propose and validate Atom Theory as a foundation for understanding the internal representations of LLMs.

When organizations delegate text generation tasks to AI providers via pay-for-performance contracts, expected payments rise when evaluation is noisy. As evaluation methods become more elaborate, the economic benefits of decreased noise are often overshadowed by increased evaluation costs. In this work, we introduce adaptive contracts for AI delegation, which allow detailed evaluation to be performed selectively after observing an initial coarse signal in order to conserve resources. We make three sets of contributions: First, we provide efficient algorithms for computing optimal adaptive contracts under natural assumptions or when core problem dimensions are small, and prove hardness of approximation in the general unstructured case. We then formulate alternative models of randomized adaptive contracts and discuss their benefits and limitations. Finally, we empirically demonstrate the benefits of adaptivity over non-adaptive baselines using question-answering and code-generation datasets.

Object-centric learning (OCL) aims to learn structured scene representations that support compositional generalization and robustness to out-of-distribution (OOD) data. However, OCL models are often not evaluated regarding these goals. Instead, most prior work focuses on evaluating OCL models solely through object discovery and simple reasoning tasks, such as probing the representation via image classification. We identify two limitations in existing benchmarks: (1) They provide limited insights on the representation usefulness of OCL models, and (2) localization and representation usefulness are assessed using disjoint metrics. To address (1), we use instruction-tuned VLMs as evaluators, enabling scalable benchmarking across diverse VQA datasets to measure how well VLMs leverage OCL representations for complex reasoning tasks. To address (2), we introduce a unified evaluation task and metric that jointly assess localization (where) and representation usefulness (what), thereby eliminating inconsistencies introduced by disjoint evaluation. Finally, we include a simple multi-feature reconstruction baseline as a reference point.

Learning fluid PDE dynamics has increasingly benefited from neural operators and Transformer-based models, but their latent states often remain opaque, and sample-wise attention can be costly at high resolutions. We propose the \emph{Gaussian Particle Operator} (GPO), a basis-to-basis neural operator that represents fields with a learned \emph{Gaussian basis}. Each atom carries explicit geometric parameters, including centers, anisotropic scales, and weights, yielding a compact, mesh-agnostic, and directly visualizable intermediate representation. GPO operates in modal space: learned Gaussian modal windows perform Petrov--Galerkin measurements, and a PG Gaussian Attention module couples the resulting modes globally before scattering them back to the spatial domain. This design is resolution-agnostic, scales near-linearly with the number of samples for a fixed modal budget, and naturally applies to irregular geometries and 3D domains. We separately evaluate Gaussian-basis reconstruction and operator prediction. Across standard PDE benchmarks and real reanalysis datasets, GPO achieves competitive accuracy against neural-operator and Transformer baselines, ranking best on most tasks and close to the best on the remainder. The learned particles and modal couplings further provide representation-level interpretability, positioning GPO as a useful intermediate representation rather than a one-to-one decomposition of physical structures. The code is available at \url{https://github.com/lizhihao2022/GPO}.

Large Language Model (LLM) applications increasingly execute as end-to-end inference pipelines that couple generation with retrieval, stateful memory, context refinement, and tool use under strict tail-latency and Service-Level Objective (SLO) constraints. Today, these stages are often stitched together as RPC-connected services, obscuring cross-stage queueing and interference and limiting pipeline-level compilation and resource sharing. We present SAGE (Streaming-Augmented Generative Execution), a full-stack system that treats inference pipelines as first-class compilation targets. SAGE exposes pipelines as declarative dataflows and compiles them into distributed execution plans with bounded-queue backpressure. It integrates vector search, streaming semantic state, structured memory, and refinement as operators with explicit resource/state contracts, enabling operator-level diagnosis of tail behavior. SAGE integrates pluggable generation and embedding backends and provides a unified control plane for engine management, batching, and admission under mixed workloads. On a 16-node cluster, SAGE sustains 16 requests/s at $>700$ tokens/request with 1 ms median scheduling overhead, and achieves near-linear scale-out to 16 nodes (11.4$\times$ throughput at 16 nodes), and reduces P99 latency by 57\% under multi-pipeline contention versus simultaneous admission.

Slot Attention (SA) lies at the heart of mainstream Object-Centric Learning (OCL). Image features can be aggregated into object-level representations by SA iteratively refining cold-start query slots. For video, such aggregation proceeds by SA recurrently shared across frames, with queries cold-started on the first frame while transitioned from the previous frame's slots thereafter. However, cold-start queries lack sample-specific cues thus hindering precise aggregation on image or video's first frame; Non-first frames' queries are already sample-specific thus requiring aggregation transforms different from the first frame. We address these issues with our SmoothSA: (1) To smooth SA iterations on image or video's first frame, we preheat cold-start queries with rich input-feature information, by a tiny module self-distilled inside OCL; (2) To smooth SA recurrences across video's first and non-first frames, we differentiate the homogeneous aggregation transforms by using full and single iterations respectively. Comprehensive experiments on object discovery, recognition and visual reasoning validate our method's effectiveness. Further visual analyses illuminate the underline mechanisms. Our source code, model checkpoints and training logs are provided on https://github.com/Genera1Z/SmoothSA.

SLM-LLM routing accelerates generation by strategically invoking LLMs for critical tokens. However, existing methods typically train routers to mimic the LLM, capping performance at the reference trajectory's limit. In this work, we demonstrate that the SLM-LLM collaborative inference space offers a richer solution set, yielding correct answers even when the LLM fails. To exploit this, we propose **AlphaRouter**, a routing framework learning optimal collaborative inference paths via a *search and iterative update* paradigm. Formulating routing as a Markov Decision Process, we introduce Collaborative Inference Tree Search (CITS) to explore the solution space. To tackle the severe credit assignment challenge posed by sparse rewards, we propose Tree-Advantage Policy Optimization (TAPO) to optimize the routing policy. By leveraging counterfactual advantages within the tree structure, TAPO effectively attributes the final reward to specific routing decisions, stabilizing training without dense supervision. Extensive experiments show that AlphaRouter advances the Pareto frontier of accuracy-efficiency trade-offs by exploiting better inference trajectories in the collaborative space. Code is available at https://github.com/StripeLife0217/AlphaRouter.

Diffusion-based generative models increasingly rely on inference-time guidance, adding a drift term or reweighting mixture of experts, to improve sample quality on task-specific objectives. However, most existing techniques require repeated score or gradient evaluations, introducing bias, high computational overhead, or both. We introduce $\texttt{URGE}$, Unbiased Resampling via Girsanov Estimation, a derivative-free inference-time scaling algorithm that performs path-wise importance reweighting via a Girsanov change of measure. Instead of computing gradient-based particle weights in previous work, $\texttt{URGE}$ attaches a simple multiplicative weight to each simulated trajectory and periodically resamples. No score, no Hessian, and no PDE evaluation is required. We establish an equivalence between path-wise and particle-wise SMC: the Girsanov path weight admits a backward conditional expectation that recovers the previous particle-level weights, guaranteeing that both schemes produce the same unbiased terminal law. Empirically, $\texttt{URGE}$ outperforms existing inference-time guidance baselines on synthetic tests and diffusion-model benchmarks, achieving better generation quality, while being significantly simpler to implement and fully gradient-free.

Generalized Category Discovery (GCD) aims to identify both known and novel categories within unlabeled data by leveraging a set of labeled examples from known categories. Existing GCD methods primarily depend on semantic labels and global image representations, often overlooking the detailed part-level cues that are crucial for distinguishing closely related categories. In this paper, we introduce PartCo, short for Part-Level Correspondence Prior, a novel framework that enhances category discovery by incorporating part-level visual feature correspondences. By leveraging part-level relationships, PartCo captures finer-grained semantic structures, enabling a more nuanced understanding of category relationships. Importantly, PartCo seamlessly integrates with existing GCD methods without requiring significant modifications. Our extensive experiments on multiple benchmark datasets demonstrate that PartCo significantly improves the performance of current GCD approaches, outperforming most existing methods by bridging the gap between semantic labels and part-level visual compositions, thereby setting new benchmarks for GCD.

A common assumption in strategic classification is that the classifier is public knowledge. However, it remains unclear whether, and why, a system would choose to commit to full disclosure. We study a setting in which regulation requires the system to disclose some, but not all, of the information. This induces a learning task in which the learner must jointly optimize the classifier and the uncertainty surrounding it. To this end, we adopt from robust mechanism design the notion of *ambiguity*, which in our setting allows the learner to reveal a set or range of possible classifiers, while privately choosing which of them to ultimately realize. We investigate how ambiguity affects the learning task, develop efficient algorithms for computing best-responses and training, and empirically explore strategic learning and its outcomes in this novel setting and using our approach.

Advanced agents are increasingly demonstrating the potential to operate as autonomous engineers, creating a growing demand for evaluation benchmarks that capture the complexity of real-world development. Such environments typically involve both complex code and large-scale data (i.e., file system). However, existing benchmarks usually evaluate code-centric or data-centric capabilities in isolation, leaving a clear gap with real development scenarios. In this paper, we bridge this gap by introducing CoDA-Bench, the first benchmark to jointly evaluate code and data intelligence in a data-intensive environment. We construct a data-intensive Linux sandbox based on the Kaggle ecosystem (containing hundreds of datasets), where agents must actively explore complex file hierarchies to identify relevant resources and generate code for data-driven analytical tasks. CoDA-Bench comprises 1,009 tasks spanning 31 communities, with each task environment containing an average of 980 files, simulating realistic data scale and noise. Evaluations of advanced agents reveal that even top-performing systems struggle to effectively integrate data discovery with code execution, achieving a success rate of only 61.1\%. These results highlight a substantial gap in current agentic capabilities for data-intensive tasks and point to promising directions for future research.

Steering diffusion models toward conditions unseen during training typically requires either retraining with conditional inputs or per-step gradient computations, both of which incur substantial computational overhead. We present NA-RFM, a general recipe for efficiently steering unconditional diffusion models without gradient guidance during inference, enabling fast controllable generation. The method combines two offline-computed signals: *noise alignment*, a high-noise correction from PCA statistics of the target examples and the full data, and *Recursive Feature Machine (RFM) activation steering*, which learns a target-discriminative direction from labeled forward-process activations. During sampling, noise alignment provides coarse control at high noise, while the RFM direction is reused over intermediate/late timesteps through lightweight activation edits. Experiments on CIFAR-10, ImageNet, CelebA, and fine-grained bird species show improved target accuracy over gradient-based post-hoc guidance baselines, improved FID on the class-guidance benchmarks, and substantial inference speedups. Code: https://github.com/isotrivial/na-rfm.

Large language models (LLMs) demonstrate strong reasoning abilities via Chain-of-Thought (CoT), but their token-level generation encourages local decisions and lacks global planning, often leading to redundant or inaccurate reasoning. Existing methods, such as tree-based search and reinforcement learning (RL), attempt to address this issue but incur high computational costs and still struggle to produce reliable reasoning trajectories. To address these challenges, we propose Plan-Then-Action Enhanced Reasoning with Group Relative Policy Optimization (PTA-GRPO), a two-stage framework designed to jointly improve high-level planning and fine-grained CoT reasoning. Specifically, in the first stage, a given LLM is responsible for summarizing CoT reasoning into compact high-level guidance, which is then leveraged for supervised fine-tuning. Then, we introduce a guidance-aware reinforcement learning method that jointly optimizes the final output and the quality of guidance, enhancing reasoning effectiveness. We evaluate PTA-GRPO on ten reasoning benchmarks across mathematics and natural sciences, using five diverse base models spanning multiple data modalities. The results show that PTA-GRPO consistently delivers stable and significant improvements across models and tasks, demonstrating strong effectiveness and generalization.

Distributed training of foundation models via $\texttt{DDP}$ is limited by interconnect bandwidth. While infrequent communication strategies reduce synchronization frequency, they remain bottlenecked by the memory and communication requirements of optimizer states. Low-rank optimizers can alleviate these constraints; however, in the local-update regime, workers lack access to the full-batch gradients required to compute low-rank projections, which degrades performance. We propose $\texttt{LoRDO}$, a principled framework unifying low-rank optimization with infrequent synchronization. We first demonstrate that, while global projections based on pseudo-gradients are theoretically superior, they permanently restrict the optimization trajectory to a low-rank subspace. To restore subspace exploration, we introduce a full-rank quasi-hyperbolic update. $\texttt{LoRDO}$ achieves near-parity with low-rank $\texttt{DDP}$ in language modeling and downstream tasks at model scales of $125$M--$720$M, while reducing communication by $\approx10\times$. Finally, we show that $\texttt{LoRDO}$ improves performance even more in very low-memory settings with small rank/batch size.

Deep models are vulnerable to performance degradation caused by various factors, such as imbalanced samples, inaccurate labels, and backdoor attacks. However, existing optimization methods that address these issues are typically designed in a scenario- or architecture-specific manner, and each optimization often requires costly training. To this end, inspired by image denoising, we propose parameter purification as a new paradigm for model performance optimization. Parameter purification attributes performance degradation to the contamination of model parameters and aims to recover clean parameters from corrupted ones in a manner analogous to image denoising. To purify parameters with massive scale and complex structure, we further introduce a novel parameter manifold purification method. In this framework, high-dimensional and complex parameters are first viewed as manifolds embedded in a high-dimensional space, and are then partitioned into nested local parameter-cluster manifolds via a proposed parameter clustering strategy. Meanwhile, to remove parameter redundancy while preserving global parameter information, we propose an implicit manifold auto-encoder along with a parameter-cluster discrepancy loss to learn low-dimensional representations of parameter-cluster manifolds. Finally, an implicit conditional diffusion model is applied to denoise the low-dimensional parameter manifolds, progressively restoring clean parameters. Extensive experiments under three representative scenarios that cause model performance degradation demonstrate that parameter manifold purification can accurately and completely purify corrupted parameters of unseen models, analogous to denoising unseen images, and rapidly improve model performance.

Existing research on CodeGen AI security mainly focuses on red teaming, which aims to uncover vulnerabilities and risks in AI-generated code. However, progress on the blue teaming side remains limited, as effective defenses require a deep security analysis of given tasks and edge cases. To fill in this gap, we propose BlueCodeAgent, an end-to-end blue teaming agent powered by automated red teaming. Our red teaming component generates diverse risky instances, providing effective edge cases and guidance for the subsequent blue teaming process. Our blue teaming agent then conducts multi-level defense, leveraging these red teaming examples to detect previously seen and unseen risk scenarios through constitution summarization and dynamic code analysis. Our evaluation across four representative code-related tasks–bias instruction detection, malicious instruction detection, vulnerable code detection, and prompt injection detection–shows that BlueCodeAgent achieves significant gains over diverse baselines. In particular, for vulnerability detection tasks, BlueCodeAgent integrates dynamic analysis to effectively reduce false positives, a challenging problem as base models tend to be over-conservative. Overall, with GPT-4o as the base model, BlueCodeAgent achieves an average F1 score improvement of 14.7% across four tasks compared to directly prompting the model, attributed to its ability to summarize actionable constitutions and perform dynamic analysis. Our code and data are publicly available at https://github.com/1mocat/BlueCodeAgent.

The Platonic Representation Hypothesis posits that learned representations from models trained on different modalities converge to a shared latent structure of the world. However, this hypothesis has largely been examined in vision and language, and it remains unclear whether time series participate in such convergence. We first examine this in a trimodal setting and find that independently pretrained time series, vision, and language encoders exhibit near-orthogonal geometry in the absence of explicit coupling. We then apply post-hoc alignment by training projection heads over frozen encoders using contrastive learning, and analyze the resulting representations with respect to geometry, scaling behavior, and dependence on information density and input modality characteristics. Our investigation reveals that overall alignment in contrastive representation spaces improves with model size, but this alignment is asymmetric: time series align more strongly with visual representations than with text, and images can act as effective intermediaries between time series and language. We further see that richer textual descriptions improve alignment only up to a threshold; training on denser captions does not lead to further improvement. Analogous effects are observed for visual representations. Our findings shed light on considerations for building multimodal systems involving non-conventional data modalities beyond vision and language. Code and data are available at https://github.com/Rose-STL-Lab/tvl-alignment.

High-fidelity EEG generation is critical for alleviating data scarcity and addressing privacy constraints in large-scale neural modeling. Despite recent progress, most existing approaches formulate EEG generation via discrete denoising objectives, which inadequately reflect the inherently continuous temporal dynamics and spectral structure of neural activity. As a result, these methods often struggle to preserve long-range temporal dependencies and exhibit mismatches in the spectral and temporal structure of the generated signals. In this work, we argue that effective EEG generation requires models that operate directly on the continuous evolution of neural signals. We introduce Just EEG Transformer (JET), a generative framework based on conditional flow matching that models EEG as raw sequences evolving along continuous trajectories. By learning a smooth vector field that transports noise to the EEG data distribution, JET captures temporal continuity and transient dynamics without relying on discretized denoising schemes or domain-specific representations. To ensure that the learned dynamics remain consistent with key properties of EEG signals, we introduce principled constraints that preserve spectral structure, temporal stationarity, and signal-level statistics. Across three large-scale benchmarks, JET consistently achieves state-of-the-art performance, reducing TS-FID by over 40\% compared to strong baselines. Extensive analyses show that JET captures key structural properties of neural dynamics, providing a scalable and principled approach to EEG generation.

Custom diffusion models (CDMs) have demonstrated impressive success in visual personalization tasks by enabling the generation of user-specific concepts. However, existing CDMs typically assume that personalized concepts are static and rely on costly model merging or sequential updates that are prone to catastrophic forgetting as new concepts are introduced. To address these limitations, we propose a Submodular Concept Neuron Selection method (SCNS), to solve CDMs with continual personalized concepts, which formulates continual personalization as a constrained submodular optimization problem to select a minimal yet sufficient set of concept-specific neurons under diminishing returns. SCNS combines a Facility Location-based coverage objective to suppress semantic redundancy, a Fisher-weighted risk proxy to protect previously learned concepts, and a cost-aware greedy rule to balance stability and plasticity with extreme sparsity. Extensive experiments demonstrate that SCNS achieves state-of-the-art performance in image alignment and anti-forgetting, while enabling fusion-free continual personalization by modifying only 0.41% of the total parameters for each concept on average. Our implementation is available at SCNS.