ICML 2026 Papers

Test-Time Scaling (TTS) improves LLM reasoning by exploring multiple candidate responses and then operating over this set to find the best output. A tacit premise behind TTS is that sufficiently diverse candidate pools enhance reliability. In this work, we show that this assumption in TTS introduces a previously unrecognized failure mode. When candidate diversity is curtailed, even by a modest amount, TTS becomes much more likely to produce unsafe outputs. We present a reference-guided diversity reduction protocol (RefDiv) that serves as a diagnostic attack to stress test TTS pipelines. Through extensive experiments across open-source models (e.g. Qwen3, Mistral, Llama3.1, Gemma3) and two widely used TTS strategies (Monte Carlo Tree Search and Best-of-N), constraining diversity consistently signifies the rate at which TTS produces unsafe results. The effect is often stronger than that produced by prompts directly with high adversarial intent scores. This observed phenomenon also transfers across TTS strategies and to closed-source models (e.g. OpenAI o3-mini and Gemini-2.5-Pro), thus indicating that this is a general and extant property of TTS rather than a model-specific artifact. Additionally, we find that numerous widely used safety guardrail classifiers (e.g. Llama-Guard), are unable to flag the adversarial input prompts generated by RefDiv, demonstrating that existing defenses offer limited protection against this diversity-driven failure mode.

Diffusion-based Vision-Language-Action policies achieve remarkable success in robotic manipulation, yet commit a fundamental geometric error we term the **Euclidean Fallacy**: representing SE(3) poses as flat $\mathbb{R}^{12}$ vectors. This approximation induces (1) manifold drift violating SO(3) constraints, (2) broken equivariance under coordinate transformations, and (3) non-geodesic trajectories with excessive kinematic cost. We introduce **Lie Diffuser Actor (LDA)**, a diffusion framework operating intrinsically on SE(3). Our method injects noise through left-invariant SDEs, predicts scores in the tangent space, and retracts samples via the exponential map. This formulation eliminates manifold drift by construction while guaranteeing coordinate-frame equivariance and geodesic optimality. On CALVIN ABC$\rightarrow$D, LDA improves average task length from $3.27$ to $3.51$ ($+7.3\%$). We further validate our method on real robot and the results show that our methodology outperforms the baseline on majority tasks.

We study first‐order methods for convex optimization problems with functions $f$ satisfying the recently proposed $\ell$-smoothness condition $||\nabla^{2}f(x)|| \le \ell\left(||\nabla f(x)||\right),$ which generalizes the $L$-smoothness and $(L_{0},L_{1})$-smoothness. While accelerated gradient descent (AGD) is known to reach the optimal complexity $\mathcal{O}(\sqrt{L} R / \sqrt{\varepsilon})$ under $L$-smoothness, where $\varepsilon$ is an error tolerance and $R$ is the distance between a starting and an optimal point, existing extensions to $\ell$-smoothness either incur extra dependence on the initial gradient, suffer exponential factors in $L_{1} R$, or require costly auxiliary sub-routines, leaving open whether an AGD‐type $\mathcal{O}(\sqrt{\ell(0)} R / \sqrt{\varepsilon})$ rate is possible for small-$\varepsilon$, even in the $(L_{0},L_{1})$-smoothness case. We resolve this open question. Developing new proof techniques, we achieve $\mathcal{O}(\sqrt{\ell(0)} R / \sqrt{\varepsilon})$ oracle complexity for small-$\varepsilon$ and virtually any $\ell$. For instance, for $(L_{0},L_{1})$-smoothness, our bound $\mathcal{O}(\sqrt{L_0} R / \sqrt{\varepsilon})$ is provably optimal in the small-$\varepsilon$ regime and removes all non-constant multiplicative factors present in prior accelerated algorithms.

Reinforcement learning (RL) has become essential to the post-training of large language models (LLMs) for reasoning, agentic capabilities and alignment. Successful RL relies on sufficient exploration of diverse actions by the model during training, which creates a potential failure mode: a model could strategically alter its exploration during training to influence the subsequent training outcome. In this paper we study this behavior, called exploration hacking. First, we create model organisms of selective RL resistance by fine-tuning LLMs to follow specific underperformance strategies; these models can successfully resist our RL-based capability elicitation in agentic biosecurity and AI R&D environments while maintaining performance on related tasks. We then use our model organisms to evaluate detection and mitigation strategies, including monitoring, weight noising, and SFT-based elicitation. Finally, we show that current frontier models can exhibit explicit reasoning about suppressing their exploration when provided with sufficient information about their training context, with higher rates when this information is acquired indirectly through the environment. Together, our results suggest exploration hacking is a possible failure mode of RL on sufficiently capable LLMs.

Visual tokenizers map high-dimensional raw pixels into a compressed representation for downstream modeling. Beyond compression, tokenizers dictate what information is preserved and how it is organized. A _de facto_ standard approach to video tokenization is to represent a video as a spatiotemporal 3D grid of tokens, each capturing local information from the original signal. This requires the downstream model, e.g., a text-to-video model, to learn to predict all low-level details "pixel-by-pixel" irrespective of the video's inherent complexity, leading to high learning complexity. __We present _VideoFlexTok_, which represents videos with a variable-length sequence of tokens structured in a coarse-to-fine manner__, where the first tokens (emergently) capture information such as semantics and motion, and later tokens add fine-grained details. The generative flow decoder enables realistic video reconstructions from any token count. This representation structure allows adapting the token count to downstream needs and encoding videos longer than the baselines within the same budget. We evaluate VideoFlexTok on class- and text-to-video generative tasks and show that it yields more efficient training than 3D grid tokens, _achieving comparable generation quality (gFVD and ViCLIP Score) with a 5x smaller model (1.1B vs 5.2B)._ Finally, we show how _VideoFlexTok can enable long video generation without prohibitive computational cost_ by training a text-to-video model on 10-second 81-frame videos with only 672 tokens, 8x fewer than a comparable 3D grid tokenizer.

Preference alignment aims to guide generative models by learning from comparisons between preferred and non-preferred samples. In practice, most existing approaches rely on preference pairs constructed from model-generated images. Such supervision is inherently relative and can be ambiguous when both samples exhibit artifacts or limited visual quality, making it difficult to infer what constitutes a truly desirable output. In this work, we investigate whether real data can serve as an alternative source of supervision for preference alignment. We adopt a data-centric perspective and study a curation strategy that treats real images as reference points and constructs preference signals by contrasting them with generated or perturbed samples, without requiring manually annotated preference pairs. Through empirical analysis, we show that real-data-based supervision provides effective guidance for aligning diffusion models and achieves performance comparable to existing preference-based methods. Our results suggest that real data offers a practical and complementary source of supervision for preference alignment and highlight directions of label-efficient alignment strategies. Code and models are available at https://cwyxx.github.io/RealAlign.

Reinforcement learning with verifiable rewards (RLVR) has been a main driver of recent breakthroughs in large reasoning models. Yet it remains a mystery how rewards based solely on final outcomes can help overcome the long-horizon barrier to extended reasoning. To understand this, we develop a theory of the training dynamics of RLVR for transformers on compositional reasoning tasks. Our theory shows that mixed-difficulty training naturally induces an **implicit curriculum**: without any explicit schedule, easier problems become learnable first and shape the frontier for harder ones, creating a learning progression from easy to hard during optimization. The effectiveness of this curriculum is governed by the smoothness of the difficulty spectrum. When the spectrum is smooth, training dynamics enter a well-behaved *relay* regime, in which persistent gradient signals on easier problems make slightly harder ones tractable and keep training at the edge of competence. When the spectrum contains abrupt discontinuities, training undergoes grokking-type phase transitions with prolonged plateaus before progress recurs. As a technical contribution, our analysis develops and adapts techniques from Fourier analysis on finite groups to our setting. We validate the predicted mechanisms empirically via synthetic experiments.

End-to-end data science agent workflows involve tightly coupled sub-processes with strong dynamic dependencies, posing a challenging long-horizon orchestration problem. Existing frameworks primarily rely on static, chain-like execution plans, which are prone to error propagation from early stages—often causing reasoning chain collapse and task failure, resulting in fragile inference and poor cost-effectiveness. To address these issues, we propose $\text{R}^3$DAO, a reactive data agent orchestration framework based on feedback-driven topology evolution, aiming to build a dynamic evolutionary closed-loop of "hierarchical exploration, iterative recovery, and empirical convergence." First, we introduce a dynamic hierarchical task network that recursively decomposes global intent into macro-logical anchors and micro-operators, enabling low-cost exploration through dimensionality reduction in the logical space. Second, we establish a reactive topology reconfiguration mechanism that leverages semantic reflection to map execution anomalies into diagnostic signals, replacing costly global resets with localized topological optimization for resilient self-healing. Finally, semantic experience distillation implements a dual-loop accumulation that compresses long-horizon trajectories into structured prior, steering execution efficiency toward the optimal regime. Evaluations on the MLE-bench show that $\text{R}^3$DAO achieves a 77.36\% improvement in success rate over advanced R\&D-Agent while maintaining competitive task scores. Notably, $\text{R}^3$DAO compresses the average execution time by 36$\times$ and limits token consumption to just 104k per task, showcasing superior reliability, efficiency, and cost-effectiveness.

The high cost and data scarcity in scientific exploration have motivated the use of large language models (LLMs) as knowledge-driven components in Bayesian optimization (BO). However, existing approaches typically embed LLMs directly into the sampling or surrogate modeling pipeline, without fully leveraging their significantly lower evaluation cost compared to real-world experiments. To address this limitation, we propose LLM-Accelerated Bayesian Optimization (LABO), a framework that combines LLM predictions with experimental observations within a single BO loop. LABO employs a gating mechanism to dynamically balance reliance on LLM predictions versus actual experiments. By leveraging inexpensive LLM evaluations to broadly explore the search space and reserving costly real experiments only for regions with high uncertainty, LABO achieves more sample-efficient optimization. We provide a theoretical analysis with a cumulative regret bound that formalizes this efficiency gain. Empirical results across diverse scientific tasks demonstrate that LABO consistently outperforms existing methods under identical experimental budgets. Our results suggest that LABO offers a practical and theoretically grounded approach for integrating LLMs into scientific discovery workflows.

Group Relative Policy Optimization (GRPO) trains Chain-of-Thought reasoning with verifiable rewards, but estimating thought-level advantages without value functions often suffers from high variance. Although tree-style branching is used in practice to reduce variance, it lacks a theoretical explanation of why it works and whether it is important or potentially necessary. We study thought-level advantage estimation in GRPO from a variance perspective under a minimal tree-style setting where multiple continuations are sampled for each thought. Using the multivariate delta method, we reveal a sampling-dimension asymmetry. Increasing sampled thoughts ($K$) leaves a strictly positive estimation-variance floor, whereas increasing continuations per thought ($M$) drives the leading-order estimation variance to zero at rate $1/M$. This implies that, within the fixed-temperature GRPO-style estimator without value models studied here, accurate thought-level advantage estimation cannot be achieved by scaling thought sampling alone, making continuation-level branching a principled and potentially necessary mechanism rather than a heuristic. Experiments further provide empirical evidence for its effectiveness and potential necessity, demonstrating improved optimization stability, training efficiency, and final performance not only in math but also across vision domains and under different model architectures and sizes.

Functional magnetic resonance imaging (fMRI) provides dynamic measurements of human brain activity at high spatial resolution and depth, but its use is constrained by high cost, limited accessibility, and strict acquisition requirements. Synthesizing fMRI data from more accessible, non-invasive modalities such as electroencephalography (EEG) offers a promising alternative, enabling inference of deep brain dynamics from low-cost scalp recordings in naturalistic settings. Despite recent progress, existing EEG-to-fMRI translation methods typically rely on region-specific models and offer limited support for subject-level and dataset-level heterogeneity, restricting their generalizability. We propose UniEFS, a unified EEG-to-fMRI Synthesis model that enables full-brain fMRI reconstruction while accommodating varying demographic and physiological contexts within a single model. Our approach leverages a pretrained fMRI decoder to embed rich spatial priors and introduces condition-aware prompt tokens that encode subject-level and experimental metadata, enabling effective handling of heterogeneous datasets. We extensively evaluate the model performance on eyes-closed resting-state data and demonstrate that it can reliably reconstruct temporally-resolved whole-brain fMRI activity, with potential to generalize to task-based fMRI and clinical populations in a zero-shot manner. Project page: https://soupeeli.github.io/UniEFS

Flatness of the loss landscape has been widely studied as an important perspective for understanding the behavior and generalization of deep learning algorithms. Motivated by this view, we propose Flatness-Aware Stochastic Gradient Langevin Dynamics (fSGLD), a first-order optimization method that biases learning its dynamics toward flat basins while retaining the computational and memory efficiency of SGD and SGLD. We provide a non-asymptotic theoretical analysis showing that fSGLD converges to a flatness-biased Gibbs distribution under a theoretically prescribed coupling between the noise scale $\sigma$ and the inverse temperature $\beta$, together with explicit excess risk guarantees. We empirically evaluate fSGLD across standard optimizer benchmarks, Bayesian image classification, uncertainty quantification, and out-of-distribution detection, demonstrating consistently strong performance and reliable uncertainty estimates. Additional experiments confirm the effectiveness of the theoretically prescribed $\beta$–$\sigma$ coupling compared to decoupled choices.

Anonymization is often assumed to protect privacy once explicit identifiers are removed, because re-identification has historically required specialized expertise, tailored algorithms, and manual corroboration. We show that LLM-based agents weaken this barrier: by combining scattered, individually non-identifying cues with public evidence, they reconstruct real-world identities, sometimes even during benign tasks. We evaluate this risk across three settings---classical linkage incidents, a controlled benchmark (\emph{InferLink}) that varies fingerprint type, task framing, and attacker knowledge, and open-ended human--AI interaction traces. In the sparsest regime of the Netflix Prize deanonymization setting, agents reconstruct 79.2\% of identities, against 56.0\% for a classical matching baseline; on \emph{InferLink}, they link individuals even without an explicit re-identification request, and more often once one is given. In redacted human--AI interaction traces, agents further resolve anonymized profiles to specific individuals by corroborating contextual cues with public evidence. These findings suggest that privacy evaluations for agentic systems should measure not only what information is accessed or disclosed, but also what identities can be inferred.

Verbal logic and visual mental simulation are two essential components of human intelligence. Modern Large Language Models (LLMs) have demonstrated strong verbal reasoning capabilities through textual Chain-of-Thought (CoT) reasoning. In contrast, current Video Generation Models (VGMs) struggle with visual reasoning tasks such as spatial planning. We attribute this limitation to two fundamental gaps: (i) VGMs are predominantly trained on general-purpose video corpora emphasizing perceptual fidelity over visual reasoning, leaving reasoning abilities underdeveloped; (ii) most VGMs generate videos in a single pass without mechanisms to explore alternative reasoning trajectories and to revise intermediate errors. Motivated by these limitations, we introduce **ReaForest**, a framework that fosters the reasoning capacity of VGMs in spatial planning through both training-time activation and inference-time scaling. ReaForest comprises three key components: **(1)** ReaGen-27k, a dataset covering diverse spatial planning tasks that require multi-step reasoning, which activates basic reasoning capabilities of VGMs for spatial planning; **(2)** Reflective Entropy-Aware Test-Time Scaling (ReaTTS), an inference framework that evolves multiple reasoning branches while enabling failure recovery; **(3)** Hierarchical constraint verification, which provides actionable feedback for ReaTTS based on decomposed constraints. Extensive experiments demonstrate that ReaForest substantially surpasses advanced textual reasoning models (e.g., Gemini-2.5-Pro) and video generation models (e.g., Sora-2). ReaForest exhibits emergent properties including self-correction, parallel thinking, and scalable reasoning, advancing VGMs toward human-like visual mental simulation.

Vision-Language Models (VLMs), such as CLIP, have achieved significant zero-shot performance on downstream tasks with various fine-tuning adaptation methods. However, recent studies have proven that adversarial attacks can significantly degrade the inference ability of VLMs, posing substantial risks to their practical applications. Prevalent test-time adaptation methods typically rely on multi-view augmentation to implement various fine-tuning strategies, which struggle to identify semantic information and are prone to destroying discriminative regions in fine-grained scenarios. To address these limitations, we propose Attention-Guided Test-Time Prompt Tuning (A-TPT), a semantics-preserving method designed for test-time adaptation. We first refine the gradient attention rollout mechanism to identify semantically meaningful regions surviving under adversarial attacks. Furthermore, we leverage them to guide the spatially varying augmentation intensities and multi-view ensemble for prompt tuning and inference. Extensive experiments demonstrate that A-TPT outperforms existing test-time adaptation methods on both adversarial and clean data. Codes are available at https://github.com/SEU-VIPGroup/A-TPT.

Group Relative Policy Optimization (GRPO) is effective for training language models on complex reasoning. However, since the objective is defined relative to a group of sampled trajectories, extended deliberation can create more chances to realize relative gains, leading to inefficient reasoning and overthinking, and complicating the trade-off between correctness and rollout efficiency. Controlling this behavior is difficult in practice, considering (i) Length penalties are hard to calibrate because longer rollouts may reflect harder problems that require longer reasoning, penalizing tokens risks truncating useful reasoning along with redundant continuation; and (ii) supervision that directly indicates when to continue or stop is typically unavailable beyond final answer correctness. We propose Weakly Supervised GRPO (WS-GRPO), which improves rollout efficiency by converting terminal rewards into correctness-aware guidance over partial trajectories. Unlike global length penalties that are hard to calibrate, WS-GRPO trains a preference model from outcome-only correctness to produce prefix-level signals that indicate when additional continuation is beneficial. Thus, WS-GRPO supplies outcome-derived continue/stop guidance, reducing redundant deliberation while maintaining accuracy. We provide theoretical results and empirically show on reasoning benchmarks that WS-GRPO substantially reduces rollout length while remaining competitive with GRPO baselines.

Conformal prediction provides rigorous, distribution-free uncertainty guarantees, but often yields prohibitively large prediction sets in structured domains such as routing, planning, or sequential recommendation. We introduce graph-based conformal compression, a framework for constructing compact subgraphs that preserve statistical validity while reducing structural complexity. We formulate compression as selecting a smallest subgraph capturing a prescribed fraction of the probability mass, and reduce to a weighted version of densest-k-subgraphs in hypergraphs, in the regime where the subgraph has a large fraction of edges. We design efficient approximation algorithms that achieve constant factor coverage and size trade-offs. Crucially, we prove that our relaxation satisfies a monotonicity property, derived from a connection to parametric minimum cuts, which guarantees the nestedness required for valid conformal calibration. Our results therefore not only highlight an algorithmic regime, distinct from classical densest-k-subgraph hardness settings, where the problem can be approximated efficiently, but also bridge conformal prediction with combinatorial graph compression via monotonicity. We finally validate our algorithmic approach via simulations for trip planning and navigation, and compare to natural baselines.

Unpaired domain translation remains a challenging task due to the need of finding a balance between faithfulness and realism. In this paper, we propose a method called Regularized Distribution Matching Distillation (RDMD) that combines the best properties of Optimal Transport (OT) and diffusion-based domain translation methods. Instead of the conventional adversarial training, RDMD utilizes diffusion-based distribution matching, addressing the common shortcomings of OT methods and providing a strong initialization for the trained models. RDMD provides efficient one-step inference, explicitly controls the input-output alignment via regularization of the transport cost and maintains high faithfulness similar to the OT methods. We prove that in theory RDMD approximates the OT map and demonstrate its empirical performance on several tasks, including unpaired image-to-image translation in pixel and latent space and unpaired text detoxification. Empirical results show that RDMD achieves a comparable or better faithfulness-realism trade-off compared to the diffusion and OT baselines.

Supervised Causal Learning has shown promise in causal discovery, yet it often struggles with generalization across diverse interventional settings, particularly when intervention targets are unknown. To address this, we propose TICL (Test-time Interventional Causal Learning), a novel method that synergizes Test-Time Training with Joint Causal Inference (JCI). Specifically, we design a self-augmentation strategy to generate instance-specific training data at test time, effectively avoiding distribution shifts. Furthermore, by integrating JCI, we developed a PC-inspired two-phase supervised learning scheme, which effectively leverages self-augmented data while ensuring theoretical identifiability. Extensive experiments on bnlearn benchmarks demonstrate TICL's superiority in multiple aspects of causal discovery and intervention target detection.