ICML 2026 Papers

Graph neural networks (GNNs) excel at aggregating neighbor information for classification, yet their performance is hindered by graph structural entanglement, where spurious correlations from semantically irrelevant neighbors contaminate node embeddings. This challenge is most acute for nodes near class boundaries in the embedding space, where amplified structural noise blurs decision boundaries and destabilizes predictions. Existing robust GNN methods largely treat all nodes uniformly, ignoring boundary vulnerabilities. In this paper, to improve classification performance, we tackle graph structural disentanglement by identifying boundary-region entanglement as the primary bottleneck and propose Boundary Embedding Shaping (BES), an adaptive contrastive learning GNN plug-in module that selectively suppresses spurious structural noise at decision boundaries with minimal model parameter perturbation. Extensive experiments demonstrate that BES consistently improves boundary discrimination and outperforms existing leading methods. Notably, BES boosts GCN performance by an average of 3.3% in node classification (up to 5.0% on WikiCS) and achieves superior accuracy in link prediction.

Language models struggle to generalize beyond pretraining context lengths, limiting long-horizon reasoning and retrieval. Continued pretraining on long-context data can help but is expensive due to the quadratic scaling of Attention. We observe that most tokens do not require (Global) Attention over the entire sequence and can rely on local context. Based on this, we propose L2A (Learning To Attend), a layer that enables conditional (token-wise) long-range memory access by deciding when to invoke global attention. We evaluate L2A on Qwen 2.5 and Qwen 3 models, extending their effective context length from 32K to 128K tokens. L2A matches the performance of standard long-context training to within 3% while skipping Global Attention for $\sim$80% of tokens, outperforming prior baselines. We also design custom Triton kernels to efficiently implement this token-wise conditional Attention on GPUs, achieving up to $\sim$2$\times$ improvements in training throughput and time-to-first-token over FlashAttention. Moreover, L2A enables post-training pruning of highly sparse Global Attention layers, reducing KV cache memory by up to 50% with negligible performance loss.

Recently, machine learning Hamiltonian (MLH) models have gained traction as fast approximations of electronic structures such as orbitals and electron densities, while also enabling direct evaluation of energies and forces from their predictions. However, despite their physical grounding, existing Hamiltonian models are evaluated mainly by reconstruction metrics, leaving it unclear how well they perform as energy–force predictors. We address this gap with a benchmark that computes energies and forces directly from predicted Hamiltonians. Within this framework, we propose QHFlow2, a state-of-the-art Hamiltonian model with an SO(2)-equivariant backbone and a two-stage edge update. QHFlow2 achieves $40\%$ lower Hamiltonian error than the previous best model with fewer parameters. Under direct evaluation on MD17/rMD17, it is the first Hamiltonian model to reach NequIP-level force accuracy while achieving up to $20\times$ lower energy MAE. On QH9, QHFlow2 reduces energy error by up to $20\times$ compared to MACE. Finally, we demonstrate that QHFlow2 exhibits consistent scaling behavior with respect to model capacity and data, and that improvements in Hamiltonian accuracy effectively translate into more accurate energy and force computations.

Large language models have achieved impressive performance across diverse tasks. However, their tendency to produce overconfident and factually incorrect outputs, known as hallucinations, poses risks in real world applications. Conformal prediction provides finite-sample, distribution-free coverage guarantees, but standard conformal prediction breaks down under domain shift, often leading to under-coverage and unreliable prediction sets. We propose a new framework called Domain-Shift-Aware Conformal Prediction (DS-CP). Our framework adapts conformal prediction to large language models under domain shift, by systematically reweighting calibration samples based on their proximity to the test prompt, thereby preserving validity while enhancing adaptivity. Our theoretical analysis and experiments on the MMLU benchmark demonstrate that the proposed method delivers more reliable coverage than standard conformal prediction, especially under substantial distribution shifts, while maintaining efficiency. This provides a practical step toward trustworthy uncertainty quantification for large language models in real-world deployment.

Image-to-3D generation faces inherent semantic ambiguity under occlusion, where partial observation alone is often insufficient to determine object category. In this work, we formalize *text-driven amodal 3D generation*, where text prompts steer the completion of unseen regions while strictly preserving input observation. Crucially, we identify that these objectives demand distinct control granularities: rigid control for the observation versus relaxed structural control for the prompt. To this end, we propose **RelaxFlow**, a training-free dual-branch framework that decouples control granularity via a Multi-Prior Consensus Module and a Relaxation Mechanism. Theoretically, we prove that our relaxation is equivalent to applying a low-pass filter on the generative vector field, which suppresses high-frequency instance details to isolate geometric structure that accommodates the observation. To facilitate evaluation, we introduce two diagnostic benchmarks, **ExtremeOcc-3D** and **AmbiSem-3D**. Extensive experiments demonstrate that RelaxFlow successfully steers the generation of unseen regions to match the prompt intent without compromising visual fidelity. Code and datasets will be released.

Eliciting information to reduce uncertainty about latent group-level properties is a central problem in collective assessment, preference modeling, and opinion aggregation, and is especially important in survey-based studies. While natural language interactions provide a flexible interface, existing methods typically rely on fixed questionnaires and static respondent sets, and do not adapt to partial or missing responses across rounds. To address this gap, we study adaptive information elicitation through multi-turn interactions between a large language model and a group of individuals, where both queries and respondents are adaptively selected to infer latent group properties. We propose a theoretically grounded framework that, at each round, jointly selects a query and a subset of respondents based on previously observed responses to efficiently reduce uncertainty about a target latent quantity (e.g., group-level political inclination). Motivated by practical survey constraints, such as limited questions and costly participation, our strategy maximizes information gain under a fixed budget. To handle missing and incomplete responses, we combine graph neural networks for aggregating/imputing partial group information with an information-theoretic criterion that guides per-round selection. Across three real-world opinion datasets, we achieve consistent improvements in population-level response prediction under constrained budgets, including over a 12% relative gain on CES at a 10% respondent budget.

A natural recipe for intelligent robotic decision-making is initializing from pretrained generative control policies, which have summarized offline experience, and adapting them to self-collected online experience. We present DF-ExpEnse, an exploration technique that improves the quality of online experience collection, thus increasing finetuning sample-efficiency. DF-ExpEnse leverages the multimodal modeling capabilities of the generative control policy to create an expressive and tractably evaluatable candidate set. It then utilizes an ensemble of critics to identify the action that best balances quality with high exploration interest. In fleet settings, DF-ExpEnse further enables cross-agent communication to facilitate collaborative exploration as a group. DF-ExpEnse can be seamlessly integrated with existing strategies that finetune pretrained generative control policies via reinforcement learning. We experimentally validate consistent sample-efficiency benefits through DF-ExpEnse across a variety of manipulation and locomotion tasks, compared to default finetuning and alternative action selection schemes. Project can be found at [df-expense.github.io](https://df-expense.github.io).

Training instability in modern deep learning systems is frequently triggered by rare but extreme gradient-norm spikes, which can induce oversized parameter updates, corrupt optimizer state, and lead to slow recovery or divergence. Widely used safeguards such as gradient clipping mitigate these failures but require threshold tuning and indiscriminately truncate large updates. We propose **GradientStabilizer**, a lightweight, drop-in gradient transform that *preserves the instantaneous gradient direction* while replacing the update magnitude with a statistically stabilized estimate derived from running gradient-norm statistics. We prove that the resulting stabilized magnitude is uniformly bounded on spike steps, independent of the spike size, and show how this boundedness controls optimizer state evolution in adaptive methods. Across LLM pre-training (FP16), quantization-aware pre-training (FP4), ImageNet classification, reinforcement learning, and time-series forecasting, **GradientStabilizer** consistently improves training stability, widens stable learning-rate regions, and reduces divergence relative to clipping-based baselines, even substantially reducing Adam’s sensitivity to weight-decay strength.

In mechanistic interpretability, recent work scrutinizes transformer “circuits”—sparse, mono or multi layer sub computations, that may reflect human understandable functions. Yet, these network circuits are rarely acid-tested for their stability across different instances of the same deep learning architecture. Without this, it remains unclear whether reported circuits emerge universally across labs or turn out to be idiosyncratic to a particular estimation instance, potentially limiting confidence in safety-critical settings. Here, we systematically study stability across-refits in increasingly complex transformer language models of various sizes. We quantify, layer by layer, how similarly attention heads learn representations across independently initialized training runs. Our rigorous experiments show that (1) middle-layer heads are the least stable yet the most representationally distinct; (2) deeper models exhibit stronger mid-depth divergence; (3) unstable heads in deeper layers become more functionally important than their peers from the same layer; (4) applying weight decay optimization substantially improves attention-head stability across random model initializations; and (5) the residual stream is comparatively stable. Our findings establish the cross-instance robustness of circuits as an essential yet underappreciated prerequisite for scalable oversight, drawing contours around possible white-box monitorability of AI systems.

The rapidly increasing realism of AI-generated media has intensified the spread of deceptive content and undermined public trust. Existing research largely treats this challenge along two separate axes: media authenticity, which assesses whether content is real or machine-generated, and content veracity, which evaluates semantic consistency and factual correctness. This separation overlooks how real-world deception jointly exploits both dimensions. In this work, we present FakeWorld 1.0, an omni-modal benchmark that unifies media authenticity and content veracity within a single evaluation framework. Along the media axis, FakeWorld spans text, audio, image, and video synthesis. Along the content axis, it systematically instantiates cross-modal semantic inconsistencies and factual errors. These two axes are jointly embedded in realistic web-based and streaming-style presentation scenarios, reflecting how multimodal deception is composed, contextualized, and delivered in practice. FakeWorld further provides explainable annotations in the form of per-instance rationales, enabling transparent and evidence-based analysis. Under a unified evaluation protocol, experiments on both open- and closed-source multimodal large language models (MLLMs) reveal fundamental capability limits and demonstrate FakeWorld’s effectiveness in exposing high-fidelity, mixed-source deception. Beyond the benchmark, we introduce OmniChecker, an agentic framwork that performs joint, explainable detection across both axes and produces evidence-backed diagnostic reports. We position FakeWorld 1.0 as a realistic stress test and a practical foundation for advancing scalable, explainable detection of fake multimodal content.

Unified Multimodal models (UMMs) built on a single architecture have shown impressive performance in both understanding and generation. We identify a fundamental challenge lies in inductive biases induced by distinct supervision signals: generation branch prefers high-fidelity, fine-grained representations capable of reconstruction, while the understanding favours semantically discriminative embeddings that remain invariant to task-irrelevant factors. Consequently, optimizing these complementary but non-equivalent objectives within a monolithic backbone leads to mutual impairment instead of enhancement. In this paper, we first analyze the root cause of this interference in unified backbones and reveal a complementary structure in their internal representations. Motivated by the observation, we propose DIVA, a self-improved post-training framework that transforms the representation divergence into interior synergy. By explicitly factorizing the visual representation into shared and unique components based on two complementary information flow, DIVA enables both the understanding and generation branches to achieve beneficial transferring while preserving the integrity of unique information from cross-flow interference via mutual information estimation. Despite its generality, our method consistently achieves improvements across visual understanding (+7.82%) and generation (+8.46%). The official code is available at: https://anonymous.4open.science/r/DIVA-D225.

Machine learning fairness research documents trade-offs but lacks quantitative frameworks to measure intrinsic metric compatibility without requiring causal graphs. We introduce a game-theoretic framework that decomposes metrics into interaction vectors, enabling compatibility measurement between metrics via cosine similarity and mechanistic attribution to attribute coalitions. Through analysis of 6 datasets, 7 models, and 6 debiasing methods, we reveal that fairness and utility are often structurally orthogonal (median compatibility $\approx 0$) rather than diametrically opposed, with conflicts driven by sparse, low-order interactions. We further show that debiasing improves fairness by compressing the compatibility space—reducing compatibility of both synergistic and conflicting relationships—rather than eliminating conflicts, providing a mechanistic basis for understanding metric alignment.

Many real-world decisions require prioritizing high-risk cases, such as clinicians prioritizing high-risk patients before lower-risk ones. Falling rule lists (FRLs), which are ordered if--then rules with monotonically decreasing risks, provide an interpretable framework for such tasks; however, their single-path structure yields a highly restricted model class. We introduce falling trees, a new family of interpretable models that enforces the same monotonic risk constraint while permitting tree-structured branching. We present GraviTree, a novel dynamic-programming-with-bounds algorithm for learning the Rashomon set of falling trees under depth and branching constraints. Our formulation can interpolate between rule lists and full decision trees, enabling user-desired model expressivity. In a new clinical dataset and in many public classification benchmarks, falling trees match or outperform FRLs and other interpretable baselines, often producing more sparse decisions for high-risk instances. Our results show that falling trees strike a practical balance between interpretability, expressiveness, and risk prioritization for high-stakes settings.

Point clouds provide a compact and expressive representation of 3D objects, and have recently been integrated into multimodal large language models (MLLMs). However, existing methods primarily focus on static objects, while understanding dynamic point cloud sequences remains largely unexplored. This limitation is mainly caused by the lack of large-scale cross-modal datasets and the difficulty of modeling motions in spatio-temporal contexts. To bridge this gap, we present 4DPC$^2$hat, the *first* MLLM tailored for dynamic point cloud understanding. To this end, we construct a large-scale cross-modal dataset 4DPC$^2$hat-200K via a meticulous two-stage pipeline consisting of topology-consistent 4D point construction and two-level captioning. The dataset contains over 44K dynamic object sequences, 700K point cloud frames, and 200K curated question–answer (QA) pairs, supporting inquiries about counting, temporal relationship, action, spatial relationship, and appearance. At the core of the framework, we introduce a Mamba-enhanced temporal reasoning MLLM to capture long-range dependencies and dynamic patterns among a point cloud sequence. Furthermore, we propose a *failure-aware* bootstrapping learning strategy that iteratively identifies model deficiencies and generates targeted QA supervision to continuously strengthen corresponding reasoning capabilities. Extensive experiments demonstrate that our 4DPC$^2$hat significantly improves action understanding and temporal reasoning compared with existing models, establishing a strong foundation for 4D dynamic point cloud understanding.

We study a cooperative form of multi-agent reinforcement learning with state space dynamics and agent interaction controlled by an underlying graph. Each agent has a local state and action, the evolution of the local state depends only on the states and actions in the $1$-hop neighborhood defined by the graph. Structured dynamics of this type arise in various applications, including network resource allocation, co-operative games, epidemic control, and wireless scheduling. The global state-action space scales exponentially in the number of agents, so that computing global optimal policies is intractable in the worst-case. We study conditions under which it is possible to approximate the optimal policies by a local policy for each agent that depends only on states associated with nodes within its $m$-hop neighborhood. By controlling the propagation of influences via a Dobrushin-type stability matrix, we establish that globally optimal policies can approximated by local policies with sub-optimality gap decaying exponentially in $m$.

We analyze the Accelerated Noisy Power Method, an algorithm for Principal Component Analysis in the setting where only inexact matrix-vector products are available, which can arise for instance in decentralized PCA. While previous works have established that acceleration can improve convergence rates compared to the standard Noisy Power Method, these guarantees require overly restrictive upper bounds on the magnitude of the perturbations, limiting their practical applicability. We provide an improved analysis of this algorithm, which preserves the accelerated convergence rate under much milder conditions on the perturbations. We show that our new analysis is worst-case optimal, in the sense that the convergence rate cannot be improved, and that the noise conditions we derive cannot be relaxed without sacrificing convergence guarantees. We demonstrate the practical relevance of our results by deriving an accelerated algorithm for decentralized PCA, which has similar communication costs to non-accelerated methods. To our knowledge, this is the first decentralized algorithm for PCA with provably accelerated convergence.

Classical optimization theory establishes that zeroth-order (ZO) algorithms suffer from a dimension-dependent slowdown, with convergence rates typically scaling with the model dimension compared to first-order methods. However, in contrast to these theoretical expectations, a growing body of recent work demonstrates the successful application of ZO methods to fine-tuning Large Language Models (LLMs) with billions of parameters. To explain this paradox, we derive the one-step learning dynamics of ZO SGD, where the empirical Neural Tangent Kernel (eNTK) naturally emerges as the key term governing the learning behavior. Inspection of the eNTK produced by ZO-SGD reveals that each element corresponds to the inner product of neural tangent vectors projected onto a random low-dimensional subspace. Thus, by invoking the Johnson-Lindenstrauss Lemma, our analysis shows that the fidelity of the ZO eNTK is governed primarily by the number of perturbations. Crucially, the approximation error depends on the model output size rather than the massive parameter dimension. This dimension-free property provides a theoretical justification for the scalability of ZO methods to LLMs finetuning tasks. We believe that this kernel-based framework offers a novel perspective for understanding ZO methods within the context of learning dynamics.

Adversarial Distillation aims to enhance student robustness by guiding the student with a robust teacher's soft labels within the min-max adversarial training framework, yet its success is notoriously inconsistent: a more robust teacher often fails to improve, or even harms, the student's robust generalization. In this paper, we identify a key mechanism of this teacher dependency: the misalignment between the teacher's supervisory confidence and the student's representational limitations on a consistent subset of training data—the Robustly Unlearnable Set. We present a theoretical framework analyzing the feature learning dynamics of a two-layer neural network, demonstrating that this mismatch creates a dichotomy in distillation outcomes. We prove that when a teacher provides confident supervision on unlearnable samples, it compels the student to memorize spurious noise patterns that eventually overpower the learned robust signal, thereby driving robust overfitting. Conversely, a teacher that exhibits high uncertainty on these samples effectively suppresses noise memorization, allowing the student to rely solely on the learnable signal for robust generalization. We empirically validate our theory across both synthetic simulations and real-image classification datasets, confirming that robust overfitting is driven by the teacher's interaction with unlearnable samples. Finally, we demonstrate that a teacher's predictive entropy on unlearnable samples serves as a strong indicator of student robustness, validating our theoretical framework and offering a principled guideline for robust teacher selection.

Simulating deformable objects under rich interactions remains a fundamental challenge for real-to-sim robot manipulation, with dynamics jointly driven by environmental effects and robot actions. Existing simulators rely on predefined physics or data-driven dynamics without robot-conditioned control, limiting accuracy, stability, and generalization. This paper presents \textbf{SoMA}, a 3D Gaussian Splat simulator for soft-body manipulation. SoMA couples deformable dynamics, environmental forces, and robot joint actions in a unified latent neural space for end-to-end real-to-sim simulation. Modeling interactions over learned Gaussian splats enables controllable, stable long-horizon manipulation and generalization beyond observed trajectories without predefined physical models. SoMA improves resimulation accuracy and generalization on real-world robot manipulation by 20\%, enabling stable simulation of complex tasks such as long-horizon cloth folding. **Project Page: city-super.github.io/SoMA**