NeurIPS 2025 Papers

Conference on Neural Information Processing Systems

Decision breakdown

5,812papers

Counted from the official paper list; may differ slightly from the number the conference announced.

  • Oral
    931.6%
  • Spotlight
    73912.7%
  • Poster
    4,98085.7%

Browse all papers

Improved Training Technique for Shortcut Models

Anh Nguyen, Viet Van Nguyen, Duc Vu, Trung Tuan Dao, Chi Tran, Toan Tran, Anh Tuan Tran

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Shortcut models represent a promising, non-adversarial paradigm for generative modeling, uniquely supporting one-step, few-step, and multi-step sampling from a single trained network. However, their widespread adoption has been stymied by critical performance bottlenecks. This paper tackles the five core issues that held shortcut models back: (1) the hidden flaw of compounding guidance, which we are the first to formalize, causing severe image artifacts; (2) inflexible fixed guidance that restricts inference-time control; (3) a pervasive frequency bias driven by a reliance on low-level distances in the direct domain, which biases reconstructions toward low frequencies; (4) divergent self-consistency arising from a conflict with EMA training; and (5) curvy flow trajectories that impede convergence. To address these challenges, we introduce iSM, a unified training framework that systematically resolves each limitation. Our framework is built on four key improvements: Intrinsic Guidance provides explicit, dynamic control over guidance strength, resolving both compounding guidance and inflexibility. A Multi-Level Wavelet Loss mitigates frequency bias to restore high-frequency details. Scaling Optimal Transport (sOT) reduces training variance and learns straighter, more stable generative paths. Finally, a Twin EMA strategy reconciles training stability with self-consistency. Extensive experiments on ImageNet 256x256 demonstrate that our approach yields substantial FID improvements over baseline shortcut models across one-step, few-step, and multi-step generation, making shortcut models a viable and competitive class of generative models.

Poster
ThermalGen: Style-Disentangled Flow-Based Generative Models for RGB-to-Thermal Image Translation

Jiuhong Xiao, Roshan Nayak, Ning Zhang, Daniel Toertei, Giuseppe Loianno

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Paired RGB-thermal data is crucial for visual-thermal sensor fusion and cross-modality tasks, including important applications such as multi-modal image alignment and retrieval. However, the scarcity of synchronized and calibrated RGB-thermal image pairs presents a major obstacle to progress in these areas. To overcome this challenge, RGB-to-Thermal (RGB-T) image translation has emerged as a promising solution, enabling the synthesis of thermal images from abundant RGB datasets for training purposes. In this study, we propose ThermalGen, an adaptive flow-based generative model for RGB-T image translation, incorporating an RGB image conditioning architecture and a style-disentangled mechanism. To support large-scale training, we curated eight public satellite-aerial, aerial, and ground RGB-T paired datasets, and introduced three new large-scale satellite-aerial RGB-T datasets--DJI-day, Bosonplus-day, and Bosonplus-night--captured across diverse times, sensor types, and geographic regions. Extensive evaluations across multiple RGB-T benchmarks demonstrate that ThermalGen achieves comparable or superior translation performance compared to existing GAN-based and diffusion-based methods. To our knowledge, ThermalGen is the first RGB-T image translation model capable of synthesizing thermal images that reflect significant variations in viewpoints, sensor characteristics, and environmental conditions. Project page: http://xjh19971.github.io/ThermalGen

Poster
Generative Pre-trained Autoregressive Diffusion Transformer

Yuan Zhang, Jiacheng Jiang, Guoqing Ma, Zhiying Lu, Bo Wang, Haoyang Huang, Jianlong Yuan, Nan Duan

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In this work, we present GPDiT, a Generative Pre-trained Autoregressive Diffusion Transformer that unifies the strengths of diffusion and autoregressive modeling for long-range video synthesis, within a continuous latent space. Instead of predicting discrete tokens, GPDiT autoregressively predicts future latent frames using a diffusion loss, enabling natural modeling of motion dynamics and semantic consistency across frames. This continuous autoregressive framework not only enhances generation quality but also endows the model with representation capabilities. Additionally, we introduce a lightweight causal attention variant and a parameter-free rotation-based time-conditioning mechanism, improving both the training and inference efficiency. Extensive experiments demonstrate that GPDiT achieves strong performance in video generation quality, video representation ability, and few-shot learning tasks, highlighting its potential as an effective framework for video modeling in continuous space.

Poster
Beyond Masked and Unmasked: Discrete Diffusion Models via Partial Masking

Chen-Hao Chao, Wei-Fang Sun, HANWEN LIANG, Chun-Yi Lee, Rahul Krishnan

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Masked diffusion models (MDM) are powerful generative models for discrete data that generate samples by progressively unmasking tokens in a sequence. Each token can take one of two states: masked or unmasked. We observe that token sequences often remain unchanged between consecutive sampling steps; consequently, the model repeatedly processes identical inputs, leading to redundant computation. To address this inefficiency, we propose the Partial masking scheme (Prime), which augments MDM by allowing tokens to take intermediate states interpolated between the masked and unmasked states. This design enables the model to make predictions based on partially observed token information, and facilitates a fine-grained denoising process. We derive a variational training objective and introduce a simple architectural design to accommodate intermediate-state inputs. Our method demonstrates superior performance across a diverse set of generative modeling tasks. On text data, it achieves a perplexity of 15.36 on OpenWebText, outperforming previous MDM (21.52), autoregressive models (17.54), and their hybrid variants (17.58), without relying on an autoregressive formulation. On image data, it attains competitive FID scores of 3.26 on CIFAR-10 and 6.98 on ImageNet-32, comparable to leading continuous generative models.

Poster
Rotary Masked Autoencoders are Versatile Learners

Uros Zivanovic, Serafina Di Gioia, Andre Scaffidi, Martín Emilio de los Rios, Gabriella Contardo, Roberto Trotta

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Applying Transformers to irregular time-series typically requires specializations to their baseline architecture, which can result in additional computational overhead and increased method complexity. We present the Rotary Masked Autoencoder (RoMAE), which utilizes the popular Rotary Positional Embedding (RoPE) method for continuous positions. RoMAE is an extension to the Masked Autoencoder (MAE) that enables interpolation and representation learning with multidimensional continuous positional information while avoiding any time-series-specific architectural specializations. We showcase RoMAE's performance on a variety of modalities including irregular and multivariate time-series, images, and audio, demonstrating that RoMAE surpasses specialized time-series architectures on difficult datasets such as the DESC ELAsTiCC Challenge while maintaining MAE's usual performance across other modalities. In addition, we investigate RoMAE's ability to reconstruct the embedded continuous positions, demonstrating that including learned embeddings in the input sequence breaks RoPE's relative position property.

Poster
Diff-ICMH: Harmonizing Machine and Human Vision in Image Compression with Generative Prior

Ruoyu Feng, Yunpeng Qi, Jinming Liu, Yixin Gao, Xin Li, Xin Jin, Zhibo Chen

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Image compression methods are usually optimized isolatedly for human perception or machine analysis tasks. We reveal fundamental commonalities between these objectives: preserving accurate semantic information is paramount, as it directly dictates the integrity of critical information for intelligent tasks and aids human understanding. Concurrently, enhanced perceptual quality not only improves visual appeal but also, by ensuring realistic image distributions, benefits semantic feature extraction for machine tasks. Based on this insight, we propose Diff-ICMH, a generative image compression framework aiming for harmonizing machine and human vision in image compression. It ensures perceptual realism by leveraging generative priors and simultaneously guarantees semantic fidelity through the incorporation of Semantic Consistency loss (SC loss) during training. Additionally, we introduce the Tag Guidance Module (TGM) that leverages highly semantic image-level tags to stimulate the pre-trained diffusion model's generative capabilities, requiring minimal additional bit rates. Consequently, Diff-ICMH supports multiple intelligent tasks through a single codec and bitstream without any task-specific adaptation, while preserving high-quality visual experience for human perception. Extensive experimental results demonstrate Diff-ICMH's superiority and generalizability across diverse tasks, while maintaining visual appeal for human perception.

Poster
GenColor: Generative and Expressive Color Enhancement with Pixel-Perfect Texture Preservation

Yi Dong, Yuxi Wang, Xianhui Lin, Wenqi Ouyang, Zhiqi Shen, Peiran Ren, Ruoxi Fan, Rynson W. H. Lau

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Color enhancement is a crucial yet challenging task in digital photography. It demands methods that are (i) expressive enough for fine-grained adjustments, (ii) adaptable to diverse inputs, and (iii) able to preserve texture. Existing approaches typically fall short in at least one of these aspects, yielding unsatisfactory results. We propose GenColor, a novel diffusion-based framework for sophisticated, texture-preserving color enhancement. GenColor reframes the task as conditional image generation. Leveraging ControlNet and a tailored training scheme, it learns advanced color transformations that adapt to diverse lighting and content. We train GenColor on ARTISAN, our newly collected large-scale dataset of 1.2M high-quality photographs specifically curated for enhancement tasks. To overcome texture preservation limitations inherent in diffusion models, we introduce a color-transfer network with a novel degradation scheme that simulates texture–color relationships. This network achieves pixel-perfect texture preservation while enabling fine-grained color matching with the diffusion-generated reference images. Extensive experiments show that GenColor produces visually compelling results comparable to those of expert colorists and surpasses state-of-the-art methods in both subjective and objective evaluations. We have released the code and dataset.

Spotlight
Machine Unlearning Doesn't Do What You Think: Lessons for Generative AI Policy and Research

A. Feder Cooper, Christopher A. Choquette-Choo, Miranda Bogen, Kevin Klyman, Matthew Jagielski, Katja Filippova, Ken Liu, Alexandra Chouldechova, Jamie Hayes, Yangsibo Huang, Eleni Triantafillou, Peter Kairouz, Nicole Elyse Mitchell, Niloofar Mireshghallah, Abigail Z. Jacobs, James Grimmelmann, Vitaly Shmatikov, Christopher De Sa, Ilia Shumailov, Andreas Terzis, Solon Barocas, Jennifer Wortman Vaughan, danah boyd, Yejin Choi, Sanmi Koyejo, Fernando Delgado, Percy Liang, Daniel E. Ho, Pamela Samuelson, Miles Brundage, David Bau, Seth Neel, Hanna Wallach, Amy B. Cyphert, Mark Lemley, Nicolas Papernot, Katherine Lee

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"Machine unlearning" is a popular proposed solution for mitigating the existence of content in an AI model that is problematic for legal or moral reasons, including privacy, copyright, safety, and more. For example, unlearning is often invoked as a solution for removing the effects of specific information from a generative-AI model's parameters, e.g., a particular individual's personal data or the inclusion of copyrighted content in the model's training data. Unlearning is also proposed as a way to prevent a model from generating targeted types of information in its outputs, e.g., generations that closely resemble a particular individual's data or reflect the concept of "Spiderman." Both of these goals--the targeted removal of information from a model and the targeted suppression of information from a model's outputs--present various technical and substantive challenges. We provide a framework for ML researchers and policymakers to think rigorously about these challenges, identifying several mismatches between the goals of unlearning and feasible implementations. These mismatches explain why unlearning is not a general-purpose solution for circumscribing generative-AI model behavior in service of broader positive impact.

Oral
Virtual Fitting Room: Generating Arbitrarily Long Videos of Virtual Try-On from a Single Image

Jun-Kun Chen, Aayush Bansal, Minh Phuoc Vo, Yu-Xiong Wang

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This paper proposes Virtual Fitting Room (VFR), a novel video generative model that produces arbitrarily long virtual try-on videos. Our VFR models long video generation tasks as an auto-regressive, segment-by-segment generation process, eliminating the need for resource-intensive generation and lengthy video data, while providing the flexibility to generate videos of arbitrary length. The key challenges of this task are twofold: ensuring local smoothness between adjacent segments and maintaining global temporal consistency across different segments. To address these challenges, we propose our VFR framework, which ensures smoothness through a prefix video condition and enforces consistency with the anchor video — a 360°-view video that comprehensively captures the human's whole-body appearance. Our VFR generates minute-scale virtual try-on videos with both local smoothness and global temporal consistency under various motions, making it a pioneering work in long virtual try-on video generation. Project Page: https://immortalco.github.io/VirtualFittingRoom/.

Poster
DeCaFlow: A deconfounding causal generative model

Alejandro Almodóvar, Adrián Javaloy, Juan Parras, Santiago Zazo, Isabel Valera

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We introduce DeCaFlow, a deconfounding causal generative model. Training once per dataset using just observational data and the underlying causal graph, DeCaFlow enables accurate causal inference on continuous variables under the presence of hidden confounders. Specifically, we extend previous results on causal estimation under hidden confounding to show that a single instance of DeCaFlow provides correct estimates for all causal queries identifiable with do-calculus, leveraging proxy variables to adjust for the causal effects when do-calculus alone is insufficient. Moreover, we show that counterfactual queries are identifiable as long as their interventional counterparts are identifiable, and thus are also correctly estimated by DeCaFlow. Our empirical results on diverse settings—including the Ecoli70 dataset, with 3 independent hidden confounders, tens of observed variables and hundreds of causal queries—show that DeCaFlow outperforms existing approaches, while demonstrating its out-of-the-box applicability to any given causal graph.

Spotlight
Tracing the Roots: Leveraging Temporal Dynamics in Diffusion Trajectories for Origin Attribution

Andreas Floros, Seyed-Mohsen Moosavi-Dezfooli, Pier Luigi Dragotti

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Diffusion models have transformed image synthesis through iterative denoising, by defining trajectories from noise to coherent data. While their capabilities are widely celebrated, a critical challenge remains unaddressed: ensuring responsible use by verifying whether an image originates from a model's training set, its novel generations or external sources. We introduce a framework that analyzes diffusion trajectories for this purpose. Specifically, we demonstrate that temporal dynamics across the entire trajectory allow for more robust classification and challenge the widely-adopted "Goldilocks zone" conjecture, which posits that membership inference is effective only within narrow denoising stages. More fundamentally, we expose critical flaws in current membership inference practices by showing that representative methods fail under distribution shifts or when model-generated data is present. For model attribution, we demonstrate a first white-box approach directly applicable to diffusion. Ultimately, we propose the unification of data provenance into a single, cohesive framework tailored to modern generative systems.

Poster
Where and How to Perturb: On the Design of Perturbation Guidance in Diffusion and Flow Models

Donghoon Ahn, Jiwon Kang, Sanghyun Lee, Minjae Kim, Wooseok Jang, Jaewon Min, Sangwu Lee, Sayak Paul, Seungryong Kim

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Recent guidance methods in diffusion models steer reverse sampling by perturbing the model to construct an implicit weak model and guide generation away from it. Among these approaches, attention perturbation has demonstrated strong empirical performance in unconditional scenarios where classifier-free guidance is not applicable. However, existing attention perturbation methods lack principled approaches for determining where perturbations should be applied, particularly in Diffusion Transformer (DiT) architectures where quality-relevant computations are distributed across layers. In this paper, we investigate the granularity of attention perturbations, ranging from the layer level down to individual attention heads, and discover that specific heads govern distinct visual concepts such as structure, style, and texture quality. Building on this insight, we propose ``HeadHunter", a systematic framework for iteratively selecting attention heads that align with user-centric objectives, enabling fine-grained control over generation quality and visual attributes. In addition, we introduce SoftPAG, which linearly interpolates each selected head’s attention map toward an identity matrix, providing a continuous knob to tune perturbation strength and suppress artifacts. Our approach not only mitigates the oversmoothing issues of existing layer-level perturbation but also enables targeted manipulation of specific visual styles through compositional head selection. We validate our method on modern large-scale DiT-based text-to-image models including Stable Diffusion 3 and FLUX.1, demonstrating superior performance in both general quality enhancement and style-specific guidance. Our work provides the first head-level analysis of attention perturbation in diffusion models, uncovering interpretable specialization within attention layers and enabling practical design of effective perturbation strategies.

Poster
Bilevel Optimization for Adversarial Learning Problems: Sharpness, Generation, and Beyond

Risheng Liu, Zhu Liu, Weihao Mao, Wei Yao, Jin Zhang

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Adversarial learning is a widely used paradigm in machine learning, often formulated as a min-max optimization problem where the inner maximization imposes adversarial constraints to guide the outer learner toward more robust solutions. This framework underlies methods such as Sharpness-Aware Minimization (SAM) and Generative Adversarial Networks (GANs). However, traditional gradient-based approaches to such problems often face challenges in balancing accuracy and efficiency due to second-order complexities. In this paper, we propose a bilevel optimization framework that reformulates these adversarial learning problems by leveraging the tractability of the lower-level problem. The bilevel framework introduces no additional complexity and enables the use of advanced bilevel tools. We further develop a provably convergent single-loop stochastic algorithm that effectively balances learning accuracy and computational cost. Extensive experiments show that our method improves generation quality in terms of FID and JS scores for GANs, and consistently achieves higher accuracy for SAM under label noise and across various backbones, while promoting flatter loss landscapes. Overall, this work provides a practical and theoretically grounded framework for solving adversarial learning tasks through bilevel optimization.

Poster
Hybrid Autoencoders for Tabular Data: Leveraging Model-Based Augmentation in Low-Label Settings

Erel Naor, Ofir Lindenbaum

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Deep neural networks often under-perform on tabular data due to their sensitivity to irrelevant features and a spectral bias toward smooth, low-frequency functions. These limitations hinder their ability to capture the sharp, high-frequency signals that often define tabular structure, especially under limited labeled samples. While self-supervised learning (SSL) offers promise in such settings, it remains challenging in tabular domains due to the lack of effective data augmentations. We propose a hybrid autoencoder that combines a neural encoder with an oblivious soft decision tree (OSDT) encoder, each guided by its own stochastic gating network that performs sample-specific feature selection. Together, these structurally different encoders and model-specific gating networks implement model-based augmentation, producing complementary input views tailored to each architecture. The two encoders, trained with a shared decoder and cross-reconstruction loss, learn distinct yet aligned representations that reflect their respective inductive biases. During training, the OSDT encoder (robust to noise and effective at modeling localized, high-frequency structure) guides the neural encoder toward representations more aligned with tabular data. At inference, only the neural encoder is used, preserving flexibility and SSL compatibility. Spectral analysis highlights the distinct inductive biases of each encoder. Our method achieves consistent gains in low-label classification and regression across diverse tabular datasets, outperforming deep and tree-based supervised baselines.

Poster
Balanced Conic Rectified Flow

Shin seong Kim, Mingi Kwon, Jaeseok Jeong, Youngjung Uh

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Rectified flow is a generative model that learns smooth transport mappings between two distributions through an ordinary differential equation (ODE). The model learns a straight ODE by reflow steps which iteratively update the supervisory flow. It allows for a relatively simple and efficient generation of high-quality images. However, rectified flow still faces several challenges. 1) The reflow process is slow because it requires a large number of generated pairs to model the target distribution. 2) It is well known that the use of suboptimal fake samples in reflow can lead to performance degradation of the learned flow model. This issue is further exacerbated by error accumulation across reflow steps and model collapse in denoising autoencoder models caused by self-consuming training. In this work, we go one step further and empirically demonstrate that the reflow process causes the learned model to drift away from the target distribution, which in turn leads to a growing discrepancy in reconstruction error between fake and real images. We reveal the drift problem and design a new reflow step, namely the conic reflow. It supervises the model by the inversions of real data points through the previously learned model and its interpolation with random initial points. Our conic reflow leads to multiple advantages. 1) It keeps the ODE paths toward real samples, evaluated by reconstruction. 2) We use only a small number of generated samples instead of large generated samples, 600K and 4M, respectively. 3) The learned model generates images with higher quality evaluated by FID, IS, and Recall. 4) The learned flow is more straight than others, evaluated by curvature. We achieve much lower FID in both one-step and full-step generation in CIFAR-10. The conic reflow generalizes to various datasets such as LSUN Bedroom and ImageNet.

Poster
un$^2$CLIP: Improving CLIP's Visual Detail Capturing Ability via Inverting unCLIP

Yinqi Li, Jiahe Zhao, Hong Chang, RuiBing Hou, Shiguang Shan, Xilin Chen

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Contrastive Language-Image Pre-training (CLIP) has become a foundation model and has been applied to various vision and multimodal tasks. However, recent works indicate that CLIP falls short in distinguishing detailed differences in images and shows suboptimal performance on dense-prediction and vision-centric multimodal tasks. Therefore, this work focuses on improving existing CLIP models, aiming to capture as many visual details in images as possible. We find that a specific type of generative models, unCLIP, provides a suitable framework for achieving our goal. Specifically, unCLIP trains an image generator conditioned on the CLIP image embedding. In other words, it inverts the CLIP image encoder. Compared to discriminative models like CLIP, generative models are better at capturing image details because they are trained to learn the data distribution of images. Additionally, the conditional input space of unCLIP aligns with CLIP's original image-text embedding space. Therefore, we propose to invert unCLIP (dubbed un$^2$CLIP) to improve the CLIP model. In this way, the improved image encoder can gain unCLIP's visual detail capturing ability while preserving its alignment with the original text encoder simultaneously. We evaluate our improved CLIP across various tasks to which CLIP has been applied, including the challenging MMVP-VLM benchmark, the dense-prediction open-vocabulary segmentation task, and multimodal large language model tasks. Experiments show that un$^2$CLIP significantly improves the original CLIP and previous CLIP improvement methods. Code and models are available at https://github.com/LiYinqi/un2CLIP.

Poster
Alchemist: Turning Public Text-to-Image Data into Generative Gold

Valerii Startsev, Alexander Ustyuzhanin, Alexey Kirillov, Dmitry Baranchuk, Sergey Kastryulin

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Pre-training equips text-to-image (T2I) models with broad world knowledge, but this alone is often insufficient to achieve high aesthetic quality and alignment. Consequently, supervised fine-tuning (SFT) is crucial for further refinement. However, its effectiveness highly depends on the quality of the fine-tuning dataset. Existing public SFT datasets frequently target narrow domains (e.g., anime or specific art styles), and the creation of high-quality, general-purpose SFT datasets remains a significant challenge. Current curation methods are often costly and struggle to identify truly impactful samples. This challenge is further complicated by the scarcity of public general-purpose datasets, as leading models often rely on large, proprietary, and poorly documented internal data, hindering broader research progress. This paper introduces a novel methodology for creating general-purpose SFT datasets by leveraging a pre-trained generative model as an estimator of high-impact training samples. We apply this methodology to construct and release Alchemist, a compact (3,350 samples) yet highly effective SFT dataset. Experiments demonstrate that Alchemist substantially improves the generative quality of five public T2I models while preserving diversity and style. Additionally, we release the fine-tuned models' weights to the public.

Poster
Plug-and-Play Context Feature Reuse for Efficient Masked Generation

Xuejie Liu, Anji Liu, Guy Van den Broeck, Yitao Liang

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Masked generative models (MGMs) have emerged as a powerful framework for image synthesis, combining parallel decoding with strong bidirectional context modeling. However, generating high-quality samples typically requires many iterative decoding steps, resulting in high inference costs. A straightforward way to speed up generation is by decoding more tokens in each step, thereby reducing the total number of steps. However, when many tokens are decoded simultaneously, the model can only estimate the univariate marginal distributions independently, failing to capture the dependency among them. As a result, reducing the number of steps significantly compromises generation fidelity. In this work, we introduce ReCAP (Reused Context-Aware Prediction), a plug-and-play module that accelerates inference in MGMs by constructing low-cost steps via reusing feature embeddings from previously decoded context tokens. ReCAP interleaves standard full evaluations with lightweight steps that cache and reuse context features, substantially reducing computation while preserving the benefits of fine-grained, iterative generation. We demonstrate its effectiveness on top of three representative MGMs (MaskGIT, MAGE, and MAR), including both discrete and continuous token spaces and covering diverse architectural designs. In particular, on ImageNet256 class-conditional generation, ReCAP achieves up to 2.4$\times$ faster inference than the base model with minimal performance drop, and consistently delivers better efficiency–fidelity trade-offs under various generation settings.

Poster
MoE-CAP: Benchmarking Cost, Accuracy and Performance of Sparse Mixture-of-Experts Systems

Yinsicheng Jiang, Yao Fu, Yeqi Huang, Ping Nie, Zhan Lu, Leyang Xue, Congjie He, Man-Kit Sit, Jilong Xue, Li Dong, Ziming Miao, DaYou Du, Tairan Xu, Kai Zou, Edoardo Ponti, Luo Mai

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The sparse Mixture-of-Experts (MoE) architecture is increasingly favored for scaling Large Language Models (LLMs) efficiently, but it depends on heterogeneous compute and memory resources. These factors jointly affect system Cost, Accuracy, and Performance (CAP), making trade-offs inevitable. Existing benchmarks often fail to capture these trade-offs accurately, complicating practical deployment decisions. To address this, we introduce MoE-CAP, a benchmark specifically designed for MoE systems. Our analysis reveals that achieving an optimal balance across CAP is difficult with current hardware; MoE systems typically optimize two of the three dimensions at the expense of the third—a dynamic we term the MoE-CAP trade-off. To visualize this, we propose the CAP Radar Diagram. We further introduce sparsity-aware performance metrics—Sparse Memory Bandwidth Utilization (S-MBU) and Sparse Model FLOPS Utilization (S-MFU)—to enable accurate performance benchmarking of MoE systems across diverse hardware platforms and deployment scenarios. This benchmark is available on Github: https://github.com/sparse-generative-ai/MoE-CAP.

Poster
Simultaneous Modeling of Protein Conformation and Dynamics via Autoregression

Yuning Shen, Lihao Wang, Huizhuo Yuan, Yan Wang, Bangji Yang, Quanquan Gu

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Understanding protein dynamics is critical for elucidating their biological functions. The increasing availability of molecular dynamics (MD) data enables the training of deep generative models to efficiently explore the conformational space of proteins. However, existing approaches either fail to explicitly capture the temporal dependencies between conformations or do not support direct generation of time-independent samples. To address these limitations, we introduce *ConfRover*, an autoregressive model that simultaneously learns protein conformation and dynamics from MD trajectory data, supporting both time-dependent and time-independent sampling. At the core of our model is a modular architecture comprising: (i) an *encoding layer*, adapted from protein folding models, that embeds protein-specific information and conformation at each time frame into a latent space; (ii) a *temporal module*, a sequence model that captures conformational dynamics across frames; and (iii) an SE(3) diffusion model as the *structure decoder*, generating conformations in continuous space. Experiments on ATLAS, a large-scale protein MD dataset of diverse structures, demonstrate the effectiveness of our model in learning conformational dynamics and supporting a wide range of downstream tasks. *ConfRover* is the first model to sample both protein conformations and trajectories within a single framework, offering a novel and flexible approach for learning from protein MD data.

Poster