ICML 2026 论文列表

International Conference on Machine Learning

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6,341篇论文

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Neural Minimum Weight Perfect Matching for Quantum Error Codes

Yotam Peled, David Zenati, Eliya Nachmani

展开摘要

Realizing the full potential of quantum computation requires Quantum Error Correction (QEC). QEC reduces error rates by encoding logical information across redundant physical qubits, enabling errors to be detected and corrected. A common decoder used for this task is Minimum Weight Perfect Matching (MWPM) a graph-based algorithm that relies on edge weights to identify the most likely error chains. In this work, we propose a data-driven decoder named Neural Minimum Weight Perfect Matching (NMWPM). Our decoder utilizes a hybrid architecture that integrates Graph Neural Networks (GNNs) to extract local syndrome features and Transformers to capture long-range global dependencies, which are then used to predict dynamic edge weights for the MWPM decoder. To facilitate training through the non-differentiable MWPM algorithm, we formulate a novel proxy loss function that enables end-to-end optimization. Our findings on the toric code under depolarizing noise demonstrate thresholds of 17.9\% and 10.95\%, nearing the 18.9\% and 11.0\% maximum likelihood bounds, highlighting the advantage of hybrid decoders that combine the predictive capabilities of neural networks with the algorithmic structure of classical matching.

Poster
Certificates for Complex-Compatible Learned Cochain Laplacians

Nivar Anwer, Marien Chenaud, David Elizondo

展开摘要

Learning mesh-based operators from data can match training objectives while implicitly violating algebraic consistency constraints that classical discretizations satisfy by construction. Such violations can introduce near-kernel directions, degrade conditioning as resolution increases, and distort the low-frequency spectral structure on which downstream solvers and diagnostics rely. This work introduces a low-overhead compatibility certificate for learned operator pairs, together with a closed-form projection that maps a learned pair to its Frobenius-nearest chain-compatible operator. The certificate provides an explicit distance-to-compatibility and yields perturbation bounds for the discrete operator. These bounds imply stability guarantees for elliptic solves and for low-frequency spectral counts, provided a spectral gap separates the kernel from the rest of the spectrum and boundary treatments are well posed. Experiments on standard elliptic problems show that defect-aware training prevents condition-number blow-up at higher resolutions, improves robustness under mesh and topological distribution shifts, and maintains predictive accuracy relative to unconstrained learning. Overall, these results support the use of deployment-neutral, computable algebraic consistency checks to detect and control failure modes that are not revealed by loss values alone.

Poster
FactGuard: Agentic Video Misinformation Detection via Reinforcement Learning

Zehao Li, Hongwei Yu, Hao Jiang, Qiang Sheng, Yilong Xu, Baolong Bi, Yang Li, Zhenlong Yuan, Yujun Cai, Zhaoqi Wang

展开摘要

Multimodal large language models (MLLMs) have substantially advanced video misinformation detection through unified multimodal reasoning, but they often rely on fixed-depth inference and place excessive trust in internally generated assumptions, particularly in scenarios where critical evidence is sparse, fragmented, or requires external verification. To address these limitations, we propose FactGuard, an agentic framework for video misinformation detection that formulates verification as an iterative reasoning process built upon MLLMs. FactGuard explicitly assesses task ambiguity and selectively invokes external tools to acquire critical evidence, enabling progressive refinement of reasoning trajectories. To further strengthen this capability, we introduce a two-stage training strategy that combines domain-specific agentic supervised fine-tuning with decision-aware reinforcement learning to optimize tool usage and calibrate risk-sensitive decision making. Extensive experiments on three public benchmarks demonstrate that FactGuard consistently outperforms state-of-the-art methods in both verification accuracy and reliability.

Poster
On the Infinite Width and Depth Limits of Predictive Coding Networks

Francesco Innocenti, El Mehdi Achour, Rafal Bogacz

展开摘要

Predictive coding (PC) is a biologically plausible alternative to standard backpropagation (BP) that minimises an energy function with respect to network activities before updating weights. Recent work has improved the training stability of deep PC networks (PCNs) by leveraging some BP-inspired reparameterisations. However, the full scalability and theoretical basis of these methods remain unclear. To address this gap, we study the infinite width and depth limits of PCNs. For linear residual networks, we show that the set of width- and depth-stable feature-learning parameterisations for PC is exactly the same as for BP. Moreover, under any of these parameterisations, the PC energy with equilibrated activities converges to the quadratic BP loss when the model width is much larger than the depth, resulting in PC computing the same gradients as BP. Experiments show that, as long as an activity equilibrium is reached, convergence to BP holds for nonlinear models including convolutional networks and transformers. Overall, this work constrains the types of parameterisation that are scalable with PC, while showing a way in which BP can be effectively implemented with only local updates in much wider than deep networks like the brain.

Poster
Does Reinforcement Fine-Tuning Improve Generalization of LLM Agents? An Empirical Study

Zhiheng Xi, Xin Guo, Jiaqi Liu, Jiazheng Zhang, YuTao Fan, Zhihao Zhang, Shichun Liu, Mingxu Chai, Xiaowei Shi, Yitao Zhai, Xunliang Cai, Tao Gui, Qi Zhang, Xuanjing Huang

展开摘要

Reinforcement fine-tuning (RFT) has shown promise for training LLM agents to perform multi-turn decision-making based on environment feedback. However, most existing evaluations remain largely in-domain—training and testing are conducted in the same environment or even on the same tasks. In real-worlddeployment, agents may operate in unseen environments with different background knowledge, observation spaces, and action interfaces. To characterize the generalization profile of RFT under such shifts, we conduct a systematic study along three axes: (1) within-environment generalization across task difficulty, (2) cross-environment transfer to unseen environments, and (3) sequential multi-environment training to quantify transfer and forgetting. Our results show that RFT generalizes well across task difficulty within an environment, but exhibits unstable transfer to unseen environments, which correlates with shifts in both semantic priors and observation/action interfaces. In contrast, sequential training yields promising downstream gains with minimal upstream forgetting, and mixture training across environments improves the overall balance. We further provide detailed analyses and deeper insights, and hope our work helps the community develop and deploy generalizable LLM agents.

Poster
Very Efficient Listwise Multimodal Reranking for Long Documents

Yiqun Sun, Pengfei Wei, Lawrence B. Hsieh

展开摘要

Listwise reranking is a critical yet costly component in vision-centric retrieval and multimodal retrieval-augmented generation (M-RAG) over long documents. Although recent VLM-based rerankers achieve strong accuracy, they are often impractical due to long visual-token inputs and autoregressive decoding, resulting in high latency. We propose ZipRerank, a very efficient listwise multimodal reranker that directly addresses both bottlenecks: it shortens the input via query-image early interaction and eliminates multi-step generation by scoring all candidates in a single forward pass. ZipRerank is trained with a two-stage recipe: listwise pretraining on large-scale text reranking data rendered as images, followed by multimodal finetuning with VLM-teacher supervision and a soft-ranking objective to handle noisy rankings. Extensive experiments on the MMDocIR benchmark demonstrate that ZipRerank matches or surpasses state-of-the-art multimodal rerankers while reducing LLM inference latency by up to an order of magnitude, making it well-suited for latency-sensitive real-world systems. Source code is available at https://anonymous.4open.science/r/ZipRerank.

Poster
A Cartesian-3j Framework for Machine Learning Interatomic Potentials

Zemin Xu, Chenyu Wu, Wenbo Xie, Peijun Hu

展开摘要

Machine learning interatomic potentials (MLIPs) have brought substantial gains in the extrapolation capability in computational chemistry. However, most equivariant models are typically built with spherical tensors (STs), while Cartesian tensor formulations remain less developed despite their natural alignment with atomic coordinates and tensorial targets. In this work, we develop a Cartesian framework for irreducible Cartesian tensors (ICTs) by introduce the Cartesian-3j symbol and Cartesian Generalized Clebsch-Gordan Coefficients, which serve as direct analogues of the Wigner-3j symbol and Generalized Clebsch-Gordan coefficients defined for ST coupling. We extend the e3nn library to support ICT product, and use this framework to build Cartesian counterparts of MACE, NequIP, and Allegro, allowing the first controlled comparison where architectures are held fixed and only the tensor basis is changed. Our experiments show that irreducible Cartesian models can achieve accuracy comparable to spherical counterparts, but direct Cartesianization incurs unfavorable compute and memory scaling, motivating dedicated Cartesian architectural choices. Leveraging ICTs and our framework, we introduce TACE-v1-OAM-M and demonstrate that it achieves competitive performance on Matbench Discovery compared to state-of-the-art ST models.

Poster
BAT: Better Audio Transformer Guided by Convex Gated Probing

Houtan Ghaffari, Lukas Rauch, Christoph Scholz, Paul Devos

展开摘要

Probing is widely adopted in computer vision to faithfully evaluate self-supervised learning (SSL) embeddings, as finetuning may misrepresent their inherent quality. In contrast, audio SSL models still rely on finetuning because simple probing fails to unlock their full potential and alters their rankings when competing on AudioSet. Hence, a robust and efficient probing mechanism is required to guide the trajectory of audio SSL towards reliable and reproducible methods. We introduce *Convex Gated Probing* (CGP), a prototype-based method that significantly closes the gap between finetuning and probing in audio. CGP efficiently utilizes all frozen layers via a gating mechanism and exposes the location of latent task-relevant information. Guided by CGP as a reliable post-hoc evaluation probe, we rework the entire SSL pipeline of current best performing audio models that use legacy implementations of prior SSL methods. By refining data preprocessing, model architecture, and pretraining recipe, we introduce *Better Audio Transformer* (BAT), and establish new SOTA on audio benchmarks.

Poster
Training-Free Multimodal Large Language Model Orchestration

Tianyu Xie, Yuexiao Ma, Yuhang Wu, WANG CHEN, Jiayi Ji, Tat-Seng Chua, Xiawu Zheng, Rongrong Ji

展开摘要

Building interactive omni-modal assistants often relies on end-to-end multimodal alignment to fuse heterogeneous modalities, which incurs substantial data and compute costs and limits extensibility. We present Training-Free Large Language Model Orchestration (LLM Orchestration), a training-free orchestration framework that integrates off-the-shelf modality experts into a unified multimodal input--output system without additional gradient-based training for integration. LLM Orchestration comprises three components: (1) an LLM controller that infers user intent and emits explicit control tokens for expert selection and sequencing, enabling protocol-constrained and auditable routing; (2) a text-centric cross-modal memory that compresses multimodal evidence into structured records for lightweight retrieval and reuse, reducing redundant expert invocations across turns; and (3) a unified interaction layer that executes routing and memory decisions to support consistent modality transitions, full-duplex streaming, and interruption-aware dialogue. Across diverse multimodal benchmarks, LLM Orchestration achieves strong performance under standard evaluation constraints while maintaining low orchestration overhead and modular upgradeability, providing a practical alternative to costly joint training for omni-modal systems.

Poster
AG-REPA: Causal Layer Selection for Representation Alignment in Audio Flow Matching

Pengfei ZHANG, Tianxin Xie, Minghao Yang, Li Liu

展开摘要

REPresentation Alignment (REPA) improves the training of generative flow models by aligning intermediate hidden states with pretrained teacher features, but its effectiveness in token-conditioned audio Flow Matching critically depends on the choice of supervised layers, which is typically made heuristically based on the depth. In this work, we introduce **A**ttribution-**G**uided **REP**resentation **A**lignment **(AG-REPA)**, a novel causal layer selection strategy for representation alignment in audio Flow Matching. Firstly, we find that layers that best store semantic/acoustic information (high teacher-space similarity) are not necessarily the layers that contribute most to the velocity field that drives generation, and we call it **S**tore-**C**ontribute **D**issociation **(SCD)**. To turn this insight into an actionable training guidance, we propose a forward-only gate ablation (FoG-A) that quantifies each layer's causal contribution via the induced change in the predicted velocity field, enabling sparse layer selection and adaptive weighting for alignment. Across unified speech and general-audio training (LibriSpeech + AudioSet) under different token-conditioning topologies, AG-REPA consistently outperforms REPA baselines. Overall, our results show that alignment is most effective when applied to the causally dominant layers that drive the velocity field, rather than to layers that are representationally rich but functionally passive.

Poster
STARCaster: Spatio-Temporal AutoRegressive Video Diffusion for Identity- and View-Aware Talking Portraits

Foivos Paraperas Papantoniou, Stathis Galanakis, Rolandos Alexandros Potamias, Bernhard Kainz, Stefanos Zafeiriou

展开摘要

This paper presents STARCaster, an identity-aware spatio-temporal video diffusion model that addresses both speech-driven portrait animation and dynamic viewpoint control, given an identity embedding or reference image, within a unified framework. Existing 2D speech-to-video diffusion models depend heavily on reference guidance, leading to limited motion diversity. At the same time, 3D-aware animation typically relies on inversion through pretrained tri-plane generators, which often leads to imperfect reconstructions and identity drift. We rethink reference- and geometry-based paradigms in two ways. First, we deviate from strict reference conditioning at pretraining by introducing softer identity constraints. Second, we address 3D awareness implicitly within the 2D video domain by leveraging the inherent multi-view nature of video data. STARCaster adopts a compositional approach progressing from ID-aware motion modeling, to audio-visual synchronization via lip reading-based supervision, and finally to novel view animation through temporal-to-spatial adaptation. To overcome the scarcity of 4D audio-visual data, we propose a decoupled learning approach in which view consistency and temporal coherence are trained independently. Comprehensive evaluations demonstrate that STARCaster generalizes effectively across tasks and identities, consistently surpassing prior approaches in different benchmarks.

Poster
EGG: An Expert-Guided Agent Framework for Kernel Generation

Yaochen Han, Ke Fan, Hongxu Jiang, Wanqi Xu, Weiyu Xie, Runhua Zhang, Chenhui Zhu, Yixiang Zhang

展开摘要

High-performance GPU kernels are critical for reducing the exponentially growing computational costs of large language models (LLMs), but their development heavily relies on manual tuning by domain experts. While recent advances in LLM-based approaches show promise for automating kernel generation, they still struggle to achieve both correctness and high performance. This limitation primarily arises from the lack of domain-specific optimization guidance, hindering effective exploration of the optimization space. We propose $\textbf{EGG}$, an $\underline{E}$xpert-$\underline{G}$uided Agent Framework for Kernel $\underline{G}$eneration, which incorporates expert optimization principles to guide LLMs’ decisions. Inspired by expert workflows, we decompose kernel generation into two hierarchical stages: 1) algorithmic structure design, which establishes a high-quality computational structure foundation; 2) hardware-specific tuning, which performs targeted adjustments through parallel mapping, tensor tiling, and memory optimization. This staged decomposition defines explicit optimization objectives, structuring the design space to achieve progressive refinements. To this end, a stage-aware multi-agent collaboration mechanism is designed for inter and intra-stage context management, ensuring stable optimization trajectories. Experiments on KernelBench and real-world workloads show that EGG achieves a $2.13\times$ average speedup over PyTorch, outperforming existing agent-based and RL-based approaches.

Poster
Conditional KRR: Injecting Unpenalized Features into Kernel Methods with Applications to Kernel Thresholding

Rustem Takhanov, Zhenisbek Assylbekov

展开摘要

Conditionally positive definite (CPD) kernels are defined with respect to a function class $\mathcal{F}$. It is well known that such a kernel $K$ is associated with its native space (defined analogously to an RKHS), which in turn gives rise to a learning method --- called conditional kernel ridge regression (conditional KRR) due to its analogy with KRR --- where the estimated regression function is penalized by the square of its native space norm. This method is of interest because it can be viewed as classical linear regression, with features specified by $\mathcal{F}$, followed by the application of standard KRR to the residual (unexplained) component of the target variable. Methods of this type have recently attracted increasing attention. We study the statistical properties of this method by reducing its behavior to that of KRR with another fixed kernel, called the residual kernel. Our main theoretical result shows that such a reduction is indeed possible, at the cost of an additional term in the expected test risk, bounded by $\mathcal{O}(1/\sqrt{N})$, where $N$ is the sample size and the hidden constant depends on the class $\mathcal{F}$ and the input distribution. This reduction enables us to analyze conditional KRR in the case where $K$ is positive definite and $\mathcal{F}$ is given by the first $k$ principal eigenfunctions in the Mercer decomposition of $K$. We also consider the setting where $\mathcal{F}$ consists of $k$ random features from a random feature representation of $K$. It turns out that these two settings are closely related. Both our theoretical analysis and experiments confirm that conditional KRR outperforms standard KRR in these cases whenever the $\mathcal{F}$-component of the regression function is more pronounced than the residual part.

Poster
Rethinking Attention in Spiking Transformers: Overcoming Density Bias with Set Similarity

JinGyo Lim, Seung Gyu Jeong, Seong-Eun Kim

展开摘要

Recent Spiking Transformer models have explored a variety of attention mechanisms beyond standard dot-product formulations. However, many existing similarity-based spiking attention formulations remain inherently sensitive to firing density, causing neurons with high spike rates to dominate attention scores regardless of semantic relevance. This density bias is particularly problematic in event-driven spiking representations, where sparse spike patterns often carry critical information. To address this limitation, we rethink spiking attention from a set-theoretic perspective. We propose DiceFormer, a novel Spiking Transformer architecture driven by Spike Dice Attention (SDA). Unlike traditional approaches, SDA replaces density-sensitive measures with a set similarity function derived from the Dice coefficient. By explicitly normalizing for firing density, SDA focuses on spike co-occurrence rather than high firing rates. We primarily evaluate DiceFormer on the challenging audio domain, where spike sparsity varies substantially across inputs. On AudioSet-20k, DiceFormer achieves a SOTA mAP of 0.161 with 54.3M parameters, outperforming prior SNN-based approaches and substantially narrowing the performance gap with ANN-based models. We also introduce Lin-SDA, a linearized version for computation efficiency, while achieving performance comparable to SDA. Beyond audio, we evaluate the effectiveness of SDA on CIFAR-100 to verify its applicability to the vision domain.

Poster
Beyond Literal Translation: Evaluating Cultural Effectiveness in Social Media UGC

Linjuan Wu, Ruiqi Zhang, Xinze Lyu, Ye Guo, Daoxin Zhang, Zhe Xu, Yao Hu, Yixin Cao, Yongliang Shen, Weiming Lu

展开摘要

Social media platforms enable large-scale cross-lingual communication, but translating user-generated content (UGC) remains challenging due to its informal style, cultural references, and interaction-based expressions. While recent LLMs have improved translation quality, existing benchmarks and metrics often fail to capture whether translations convey intended meaning and cultural resonance in real-world settings. In this work, we introduce **CULTURE-MT**, a benchmark for social media translation that focuses on both **CUL**tural **T**ransmission and **U**GC-specific emotion **RE**sonance. CULTURE-MT consists of 1,002 UGC notes across 14 domains, categorized into four types based on culture-loaded symbol and linguistic style features. We also construct UGC-oriented training data to fine-tune Qwen3-8B and Qwen3-32B as baselines. We propose **cultural effectiveness** as a new evaluation criterion, focusing on expression accuracy and cultural adaptability. Testing 15 models, including the baselines, we find that traditional metrics fail to capture cultural effectiveness. We also observe that cultural effectiveness on base LLMs correlates with model size. Our work provides a comprehensive evaluation system for UGC translation models and will offers an open evaluation platform to advance research in this area. We release the CULTURE-MT benchmark and provide an online leaderboard where submitted translation results can be evaluated by our trained JUDGER.

Poster
PHALAR: Phasors for Learned Musical Audio Representations

Davide Marincione, Michele Mancusi, Giorgio Strano, Luca Cerovaz, Donato Crisostomi, Roberto Ribuoli, Emanuele Rodolà

展开摘要

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

Poster
Conditional Equivalence of DPO and RLHF: Assumptions, Failure Modes, and Provable Alignment

Zhiqin Yang, Yonggang Zhang, Wei Xue, Dong Fang, Bo Han, Yike Guo

展开摘要

Direct Preference Optimization (DPO) has emerged as a popular alternative to Reinforcement Learning from Human Feedback (RLHF), offering theoretical equivalence with a simpler implementation. We prove this equivalence is _conditional_ rather than universal, depending on an implicit assumption frequently violated in practice: the RLHF-optimal policy must prefer human-preferred responses. When this assumption fails, DPO optimizes _relative advantage_ over the reference policy rather than _absolute alignment_ with human preferences, leading to pathological convergence where policies decrease DPO loss while preferring dispreferred responses. We characterize when this assumption is violated, show the existence of an undesirable solution space, and prove that DPO and RLHF optimize fundamentally different objectives in such cases. To address this, we introduce Constrained Preference Optimization (CPO), augmenting RLHF with constraints for provable alignment. We further provide a geometric interpretation through soft margin ranking, revealing that DPO implements margin ranking with potentially negative targets. Our theoretical analysis establishes when DPOs’ guarantees hold and provides solutions preserving simplicity with provable alignment. Comprehensive experiments on standard benchmarks demonstrate that CPO achieves state-of-the-art performance. Code is available at: _https://github.com/visitworld123/CPO_.

Spotlight
Uncertainty-Aware Clarification in LLM Agents with Information Gain

Mengyi DENG, Zhiwei Li, Xin Li, Tingyu Zhu, Ying Zhao, Zhijiang Guo, Wei Wang

展开摘要

Large Language Model (LLM) agents often operate under underspecified user instructions, where latent uncertainty over user intent leads to erroneous tool actions. To address this challenge, we propose a goal-oriented clarification framework that aligns clarification behavior with ambiguity resolution. Central to our approach is the Information Gain Reward, a metric that quantifies the utility of clarification questions by measuring the Bayesian belief update towards the ground-truth goal induced by the clarification exchange. We train the clarifier (LLM) using this reward to optimize for high information gain, ensuring that clarifications effectively reduce uncertainty and improve task completion within the agent-tool-user environment. We validate our framework within a clarification-enhanced $\tau$-Bench environment, conducting cross-agent evaluations across five heterogeneous backbones. Empirical results demonstrate that our method consistently improves the success rate by 3.7\% over the no-clarification baseline, while adding only 0.3 total interaction steps on average.

Poster
Simultaneous Speech-to-Speech Translation Without Aligned Data

Tom Labiausse, Romain Fabre, Yannick Estève, Alexandre Défossez, Neil Zeghidour

展开摘要

Simultaneous speech translation requires translating source speech into a target language in real-time while handling non-monotonic word dependencies. Traditional approaches rely on supervised training with word-level aligned data, which is difficult to collect at scale and thus depends on synthetic alignments using language-specific heuristics that are suboptimal. We propose Hibiki-Zero, which eliminates the need for word-level alignments entirely. This fundamentally simplifies the training pipeline and enables seamless scaling to diverse languages with varying grammatical structures, removing the bottleneck of designing language-specific alignment heuristics. We first train on sentence-level aligned data to learn speech translation at high latency, then apply a novel reinforcement learning strategy using GRPO to optimize latency while preserving translation quality. Hibiki-Zero achieves state-of-the-art performance in translation accuracy, latency, voice transfer, and naturalness across four X-to-English tasks. Moreover, we demonstrate that our model can be adapted to support a new input language with less than 1000h of speech. We provide [examples](https://huggingface.co/spaces/kyutai/hibiki-zero-samples), [model weights](https://huggingface.co/kyutai/hibiki-zero-3b-pytorch-bf16), [inference code](https://github.com/kyutai-labs/hibiki-zero) and we release a [benchmark](https://huggingface.co/datasets/kyutai/Audio-NTREX-4L) containing 45h of multilingual data for speech translation evaluation.

Spotlight
Autoregressive Boltzmann Generators

Danyal Rehman, Charlie B. Tan, Yoshua Bengio, Joey Bose, Alexander Tong

展开摘要

Efficient sampling of molecular systems at thermodynamic equilibrium is a hallmark challenge in statistical physics. This challenge has driven the development of Boltzmann Generators (BGs), which allow rapid generation of uncorrelated equilibrium samples by combining a generative model with exact likelihoods and an importance sampling correction. However, modern BGs predominantly rely on Normalizing Flows (NFs), which either suffer from limited expressivity due to strict invertibility constraints (discrete time) or computationally expensive likelihoods (continuous time). In this paper, we propose Autoregressive Boltzmann Generators (ArBG), a novel autoregressive modelling framework that overcomes these limitations by departing from the flow-based BG paradigm. ArBG circumvents the topological constraints of flows and enables sequential inference-time interventions, while offering enhanced scalability by leveraging architectures effective in Large Language Models. We empirically demonstrate that ArBG leads to significant improvements over flow-based models across all benchmarks, but particularly in larger peptide systems such as the 10-residue Chignolin. Furthermore, we introduce Robin, a 132M parameter transferable model trained with the ArBG framework which improves over the previous state-of-the-art, reducing the zero-shot energy error, $\mathcal{E}$-$\mathcal{W}_2$, on 8-residue systems by $\sim 60$\%.

Spotlight