ICML 2026 Papers

Learning natural body motion remains challenging due to the strong coupling between spatial geometry and temporal dynamics. Embedding motion in phase manifolds, latent spaces that capture local periodicity, has proven effective for motion prediction; however, existing approaches are tied to fixed skeletons and narrow motion distributions, limiting their applicability across diverse settings. We introduce FunPhase, a functional periodic autoencoder that learns a phase manifold for motion and replaces discrete temporal decoding with a function-space formulation, enabling smooth trajectories that can be sampled at arbitrary temporal resolutions. FunPhase unifies motion prediction and generation within a single interpretable phase manifold, enabling motion generation via latent diffusion, generalizes across skeletons and datasets, and supports downstream tasks such as motion super-resolution and partial-body completion. Our model achieves substantially lower reconstruction error than prior periodic autoencoder baselines, achieving uniform improvements of at least 45% across all metrics, while enabling a broader range of applications and performing on par with state-of-the-art motion generation methods.

Recent Large Language Models (LLMs) have demonstrated remarkable proficiency in code generation. However, their ability to create complex visualizations for scaled and structured data remains largely unevaluated and underdeveloped. To address this gap, we introduce **PlotCraft**, a new benchmark featuring 1k challenging visualization tasks that cover a wide range of topics, such as finance, scientific research, and sociology. The benchmark is structured around seven high-level visualization tasks and encompasses 48 distinct chart types. Crucially, it is the first to systematically evaluate both single-turn generation and multi-turn refinement across a diverse spectrum of task complexities. Our comprehensive evaluation of 23 leading LLMs on PlotCraft reveals obvious performance deficiencies in handling sophisticated visualization tasks. To bridge this performance gap, we develope **SynthVis-30K**, a large-scale, high-quality dataset of complex visualization code synthesized via a collaborative agent framework. Building upon this dataset, we develope **PlotCraftor**, a novel code generation model that achieves strong capabilities in complex data visualization with a remarkably small size. Across VisEval, PandasPlotBench, and our proposed PlotCraft, PlotCraftor shows performance comparable to that of leading proprietary approaches. Especially, on hard task, Our model achieves over 50\% performance improvement. We will release the benchmark, dataset, and code at \href{https://anonymous.4open.science/r/PlotCraft-E320}{PlotCraft anonymous repository}.

Large Language Model (LLM) based code generation is predominantly formulated as a strictly monotonic process, appending tokens linearly to an immutable prefix. This formulation contrasts with the cognitive process of programming, which is inherently interleaved with forward generation and on-the-fly revision. While prior works attempt to introduce revision via post-hoc agents or external static tools, they either suffer from high latency or fail to leverage the model's intrinsic semantic reasoning. In this paper, we propose Stream of Revision, a paradigm shift that elevates code generation from a monotonic stream to a dynamic, self-correcting trajectory by leveraging the model's intrinsic capabilities. We introduce specific action tokens that enable the model to seamlessly backtrack and edit its own history within a single forward pass. By internalizing the revision loop, our framework Stream of Revision allows the model to activate its latent capabilities just-in-time without external dependencies. Empirical results on secure code generation show that Stream of Revision significantly reduces vulnerabilities with minimal inference overhead.

Many scientific problems are underdetermined: multiple distinct hypotheses are equally consistent with the same observations. In such settings, effective inference requires not only producing valid explanations, but also systematically exploring and covering the admissible hypothesis set. We introduce HypoSpace, a benchmark that treats large language models (LLMs) as samplers over finite hypothesis spaces and evaluates them on three metrics: Validity, Uniqueness, and Recovery. HypoSpace spans three structured domains (causal graph inference, gravity-constrained 3D voxel reconstruction, and Boolean genetic interaction modeling) with deterministic validators and exactly enumerable solution spaces, plus real-world anchored case studies. Empirically, HypoSpace reveals a capability- and scale-dependent coverage failure: models can maintain high Validity while exhibiting reduced Uniqueness and Recovery as admissible hypothesis spaces become larger or more combinatorial. We further show that the analysis on stratified decoding partially mitigates this collapse, demonstrating HypoSpace's utility as a diagnostic benchmark for set-valued inference. Code is available at: https://github.com/CTT-Pavilion/_HypoSpace.

While Large Language Models (LLMs) hold promise for automating science and education, generating interactive scientific demonstrations demands a complex synthesis of deep domain knowledge and precise reactive coding. Current benchmarks fail to capture this synergy, largely bifurcating into static code generation or text-only reasoning. To address this, we introduce \textsc{InteractScience}, the first benchmark dedicated to evaluating the holistic creation of interactive scientific applications. We propose a novel hybrid framework that integrates programmatic functional testing for logic verification with visually-grounded qualitative assessment for rendering fidelity. Our evaluation of 30 leading models across five disciplines reveals critical gaps in grounding scientific reasoning within interactive interfaces. By standardizing this combined capability, \textsc{InteractScience} establishes a crucial foundation for reliable AI-driven tools in science and education.

3D Scene Graph Generation (3DSGG) aims to create a structured representation of 3D environment by identifying objects as nodes and their relations as edges. Existing 3DSGG methods based on RGB-D sequences typically put much focus on the adaption of neural networks to robust node and edge feature extraction in complex 3D scenes, yet ignoring the inherent intra-class diversity within each class and inter-class similarity between different categories associated with nodes and edges. In this work, we develop GMPSSG, a novel Gaussian Mixture-distributed Prototype mining framework for 3DSGG. Specifically, we model different categories with independent Gaussian Mixture-distributed Prototype to effectively mitigate inter-class similarity, while employing multiple Gaussian components within each prototype to capture intra-class diversity. Moreover, Prototype-anchored Representation Learning is introduced to construct a well-structured and mutually independent category space; Topology-aware Prototype Interaction is devised to capture implicit co-occurrence priors within the scene, and leverage them to calibrate prototype distributions, thereby ensuring the plausibility of node-edge matching. Experiments on 3DSSG dataset demonstrate GMPSSG outperforms various top-leading methods. Our code is available at GMPSSG.

Training agentic models for terminal-based tasks critically depends on high-quality terminal trajectories that capture realistic long-horizon interactions across diverse domains. However, constructing such data at scale remains challenging due to two key requirements: \textbf{\emph{Executability}}, since each instance requires a suitable and often distinct Docker environment; and \textbf{\emph{Verifiability}}, because heterogeneous task outputs preclude unified, standardized verification. To address these challenges, we propose \textbf{TerminalTraj}, a scalable pipeline that (i) filters high-quality repositories to construct Dockerized execution environments, (ii) generates Docker-aligned task instances, and (iii) synthesizes agent trajectories with executable validation code. Using TerminalTraj, we curate 32K Docker images and generate 50,733 verified terminal trajectories across eight domains. Models trained on this data with the Qwen2.5-Coder backbone achieve consistent performance improvements on TerminalBench (TB), with gains of up to 20\% on TB 1.0 and 10\% on TB 2.0 over their respective backbones. Notably, \textbf{TerminalTraj-32B} achieves strong performance among models with fewer than 100B parameters, reaching 35.30\% on TB 1.0 and 22.00\% on TB 2.0, and demonstrates improved test-time scaling behavior.

Latent diffusion models have enabled high-quality video synthesis, yet their inference remains costly and time-consuming. As diffusion transformers become increasingly efficient, the latency bottleneck inevitably shifts to VAE decoders. To reduce their latency while maintaining quality, we propose a universal acceleration framework for VAE decoders that preserves full alignment with the original latent distribution. Specifically, we propose (1) an *independence-aware channel pruning* method to effectively mitigate severe channel redundancy, and (2) a *stage-wise dominant operator optimization* strategy to address the high inference cost of the widely used causal 3D convolutions in VAE decoders. Based on these innovations, we construct a **Flash-VAED** family. Moreover, we design a *three-phase dynamic distillation* framework that efficiently transfers the capabilities of the original VAE decoder to Flash-VAED. Extensive experiments on Wan and LTX-Video VAE decoders demonstrate that our method outperforms baselines in both quality and speed, achieving approximately a **6$\times$ speedup** while maintaining the reconstruction performance up to **96.9%**. Notably, Flash-VAED accelerates the end-to-end generation pipeline by up to **36%** with negligible quality drops on VBench-2.0. Our code is available at https://github.com/Aoko955/Flash-VAED.

Score-based diffusion models have emerged as prominent deep generative models; however, their application to tabular data remains challenging because their backbones assume fully specified inputs, whereas real-world tabular data often contain missing values. We propose **AugMask**, a plug-and-play training framework that adapts missing-unaware backbones to incomplete data via stochastic regularization. AugMask 1) completes inputs via *conditional stochastic augmentation* using lightweight auxiliary models and 2) masks the loss, using augmented missing entries for conditioning while restricting supervision to observed coordinates. We connect AugMask to a Rao-Blackwellized objective and show that marginalizing missing entries yields a variance-weighted sensitivity penalty, promoting invariance of observed-coordinate reconstruction with respect to uncertain missing entries. Across diverse datasets and missingness regimes, AugMask enables standard diffusion-based tabular generators to match or outperform specialized missing-aware baselines in both sample fidelity and downstream utility. The code will be released.

Retrieval-Augmented Generation (RAG) systems deployed in sensitive domains must provide interpretable evidence selection and robust safeguards against data poisoning, yet current approaches rely on opaque similarity-based retrieval with arbitrary top-k cutoffs that offer no explanation for their selections and remain vulnerable to adversarial manipulation. We propose METEORA, a rationale-driven RAG framework that addresses these fundamental limitations through interpretable, adaptive evidence retrieval. Our framework introduces three synergistic contributions. First, we preference-tune a general-purpose LLM to generate explicit rationales that articulate why specific evidence is needed for a given query. These rationales then guide adaptive evidence selection through a two-step process: rationale-chunk pairing for query-specific relevance assessment, followed by dynamic cutoff detection that eliminates the need for arbitrary k heuristics. Finally, the same rationales enable a verification stage that filters poisoned or misleading evidence before generation. Evaluation across six datasets demonstrates substantial improvements on three critical dimensions. For retrieval quality, METEORA achieves **21.05\%** higher precision than the best-performing baseline, while its variant with context expansion achieves **13.41\%** higher recall. In terms of efficiency, the framework reduces the volume of evidence required to reach comparable recall by **80\%**, which directly translates to a **33.34\%** improvement in downstream answer generation accuracy. Most notably for adversarial robustness, METEORA increases the F1 score from **0.10 to 0.44** under poisoning attacks, a 4.4$\times$ improvement that makes RAG systems substantially more resilient to adversarial manipulation. Human evaluation with four experienced annotators confirms genuine interpretability, achieving a mean confidence score of **3.64/5** and demonstrating that humans can reliably reconstruct evidence-level decisions with **86\% accuracy**. These results demonstrate that rationale-driven retrieval can simultaneously enhance interpretability, efficiency, and safety in RAG systems for sensitive domains. The code is available in the anonymous GitHub repository \url{https://anonymous.4open.science/r/METEORA-DC46/README.md}

Automatic loop invariant generation remains a challenging problem in program verification, particularly for memory-manipulating programs where shape invariants are required to characterize heap-allocated structures and memory layouts. While existing approaches succeed on numerical invariants, they achieve limited accuracy on shape invariants. We hypothesize that this stems from the need to reason about memory state evolution—information that remains implicit in source code. To address this, we ground LLM reasoning in symbolic execution traces that explicitly capture such transitions. We propose \textsc{Malice}, a two-stage framework incorporating these traces: (1) guided multi-step reasoning that predicts invariants via chain-of-thought analysis of traces, and (2) agentic iterative refinement that corrects candidates through verification tool feedback. Evaluated on LIG-MM+, a benchmark featuring common operations on typical memory structures, \textsc{Malice} substantially outperforms existing approaches.

Linear attention reformulates sequence modeling as recurrent state evolution, enabling efficient linear-time inference. Under the key–value associative paradigm, existing approaches restrict the role of the query to the readout operation, decoupling it from state evolution. We show that query-conditioned state readout induces a structured value prediction over accumulated memory that complements key-based retrieval. Based on this insight, we propose Q-Delta, a query-aware delta rule that integrates mixed key--query prediction errors into state evolution, enabling jointly corrective dynamics while preserving delta-rule efficiency. We establish stability guarantees for the resulting dynamics and derive a hardware-efficient chunkwise-parallel formulation with a custom Triton implementation. Empirical results demonstrate stable optimization, competitive throughput, and consistent improvements over strong baselines on language modeling and long-context retrieval tasks. Code is available at \url{https://github.com/psmiz/Q-Delta}.

Generative modeling of neural network parameters is often tied to architectures because standard parameter representations rely on known weight-matrix dimensions. Generation is further complicated by permutation symmetries that allow networks to model similar input-output functions while having widely different, unaligned parameterizations. In this work, we introduce Neural Network Diffusion Transformers (NNiTs), which generate weights in a width-agnostic manner by tokenizing weight matrices into patches and modeling them as locally structured fields. We establish that Graph HyperNetworks (GHNs) with a convolutional neural network (CNN) decoder structurally align the weight space, creating the local correlation necessary for patch-based processing. Focusing on Multilayer Perceptrons (MLPs), where permutation symmetry is especially apparent, NNiTs generate fully functional networks across a range of architectures. Our approach jointly models discrete architecture tokens and continuous weight patches within a single sequence model. On ManiSkill3 robotics tasks, NNiT achieves $>85\%$ success on architecture topologies unseen during training, while baseline approaches fail to generalize; the same pipeline also generalizes to MNIST classification beyond the robotic control setting.

Code Large Language Models (CLLMs) serve as the core of modern code agents, enabling developers to automate complex software development tasks. In this paper, we present Poison-with-Style (PwS), a practical and stealthy model poisoning attack targeting CLLMs. Unlike prior attacks that assume an active adversary capable of directly embedding explicit triggers (e.g., specific words) into developers' prompts during inference, PwS leverages developers' code styles as covert triggers implicitly embedded within their prompts. PwS introduces a novel data collection method and a two-step training strategy to fine-tune CLLMs, causing them to generate vulnerable code when prompts contain trigger code styles while maintaining normal behavior on other prompts. Experimental results on Python code completion tasks show that PwS is robust against state-of-the-art defenses and achieves high attack success rates across diverse vulnerabilities, while maintaining strong performance on standard code completion benchmarks. For example, PwS-poisoned models generate CWE-20 vulnerable code in 95\% of cases when the trigger code style is used, with less than a 5\% drop in pass@1 performance on the HumanEval and MBPP benchmarks. Our implementation and dataset are here: https://github.com/khangtran2020/pws.

The application of generative models for experimental drug discovery campaigns is severely limited by the difficulty of designing molecules de novo that can be synthesized in practice. Previous works have leveraged Generative Flow Networks (GFlowNets) to impose hard synthesizability constraints through the design of state and action spaces based on predefined reaction templates and building blocks. Despite the promising prospects of this approach, it currently lacks flexibility and scalability. As an alternative, we propose S3-GFN, which generates synthesizable SMILES molecules via simple soft regularization of a sequence-based GFlowNet. Our approach leverages rich molecular priors learned from large-scale SMILES corpora to steer molecular generation towards high-reward, synthesizable chemical spaces. The model induces constraints through off-policy replay training with a contrastive learning signal based on separate buffers of synthesizable and unsynthesizable samples. Our experiments show that S3-GFN learns to generate synthesizable molecules ($\geq 95$%) with higher rewards in diverse tasks.

Graph generation aims to sample discrete node and edge attributes while satisfying coupled structural constraints. Diffusion models for graphs often adopt largely factorized forward-noising, and many flow-matching methods start from factorized reference noise and coordinate-wise interpolation, so node–edge coupling is not encoded by the generative geometry and must be recovered implicitly by the core network, which can be brittle after discrete decoding. Bayesian Flow Networks (BFNs) evolve distribution parameters and naturally support discrete generation. But classical BFNs typically rely on factorized beliefs and independent channels, which limit geometric evidence fusion. We propose Variational Bayesian Flow Network (VBFN), which performs a variational lifting to a tractable joint Gaussian variational belief family governed by structured precisions. Each Bayesian update reduces to solving a symmetric positive definite linear system, enabling coupled node and edge updates within a single fusion step. We construct sample-agnostic sparse precisions from a representation-induced dependency graph, thereby avoiding label leakage while enforcing node–edge consistency. On synthetic and molecular graph datasets, VBFN improves fidelity and diversity, and surpasses baseline methods. The reproducible code is available at https://github.com/Cello2195/VBFN.

Generating periodic data---such as fractional atomic coordinates in crystal structures and phase patterns in compressive light-field (CLF) displays---is challenging because wrap-around boundaries complicate probabilistic modeling and learning. While Bayesian Flow Networks (BFNs) offer a powerful generative framework with strictly additive accuracy in Euclidean space, existing periodic adaptations typically sacrifice additivity and become sensitive to schedule heuristics. We introduce \emph{PeriodicBFN}, which embeds each periodic scalar into a two-dimensional unit-circle representation and performs Gaussian Bayesian updates in the resulting Cartesian space, thereby restoring strictly additive accuracy. To address invariance in periodic generative modeling, we further derive a Rao--Blackwellized objective that analytically marginalizes global periodic translations, producing a translation-invariant target with reduced gradient variance. Experiments on crystal structure prediction and multi-layer phase synthesis for CLF displays demonstrate improved training stability and strong performance. To our knowledge, this is the first work to extend periodic-data generative modeling to phase synthesis for modern glasses-free 3D display systems.

Code translation transforms source code from one programming language (PL) to another. Validating the functional equivalence of translation and repairing, if necessary, are critical steps in code translation. Existing automated validation and repair approaches struggle to generalize to many PLs due to high engineering overhead, and they rely on existing and often inadequate test suites, which results in false claims of equivalence and ineffective translation repair. To bridge this gap, we develop MatchFixAgent, a large language model (LLM)-based, PL-agnostic framework for equivalence validation and repair of translations. MatchFixAgent features a multi-agent architecture that divides equivalence validation into several sub-tasks to ensure thorough and consistent semantic analysis of the translation. We compare MatchFixAgent's validation and repair results with four repository-level code translation techniques. Our results demonstrate that MatchFixAgent produces (in)equivalence verdicts for $99.2$% of translation pairs, with the same equivalence validation result as prior work on $72.8$% of them. When MatchFixAgent's result disagrees with prior work, we find that $60.7$% of the time MatchFixAgent's result is actually correct. In addition, we show that MatchFixAgent can repair $50.6$% of inequivalent translation, compared to prior work’s $18.5$%.

Conditional time series generation plays a critical role in addressing data scarcity and enabling causal analysis in real-world applications. Despite its increasing importance, the field lacks a standardized and systematic benchmarking framework for evaluating generative models across diverse conditions. To address this gap, we introduce the **Con**ditional **T**ime **S**eries **G**eneration **Bench**mark (ConTSG-Bench). ConTSG-Bench comprises a suite of large-scale, well-aligned datasets spanning diverse conditioning modalities and levels of semantic abstraction, enabling systematic evaluation of representative generation methods across these dimensions with a comprehensive suite of metrics for generation fidelity and condition adherence. Both the quantitative benchmarking and in-depth analyses of conditional generation behaviors have revealed the traits and limitations of the current approaches, highlighting critical challenges and promising research directions, particularly with respect to precise structural controllability and downstream task utility under complex conditions.