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Chongxuan Li

Publications and source records attributed to Chongxuan Li.

At least 19 recordsLinked to original sources
arXiv2026

EquiPocket: an E(3)-Equivariant Geometric Graph Neural Network for Ligand Binding Site Prediction

Predicting the binding sites of target proteins plays a fundamental role in drug discovery. Most existing deep-learning methods consider a protein as a 3D image by spatially clustering its atoms into voxels and then feed the voxelized protein into a 3D CNN for prediction. However, the CNN-based methods encounter several critical issues: 1) defective in representing irregular protein structures; 2) sensitive to rotations; 3) insufficient to characterize the protein surface; 4) unaware of protein size shift. To address the above issues, this work proposes EquiPocket, an E(3)-equivariant Graph Neural Network (GNN) for binding site prediction, which comprises three modules: the first one to extract local geometric information for each surface atom, the second one to model both the chemical and spatial structure of protein and the last one to capture the geometry of the surface via equivariant message passing over the surface atoms. We further propose a dense attention output layer to alleviate the effect incurred by variable protein size. Extensive experiments on several representative benchmarks demonstrate the superiority of our framework to the state-of-the-art methods.

q-bio.BM↗
arXiv2026

Planar Symmetric Pattern Generation

Generating objects with specific symmetries is essential in various real-world scenarios. However, adapting existing 2D continuous representations to enforce planar group symmetry remains a challenge, as the transformation of non-reflective group elements may disrupt continuity. To overcome this limitation, we propose a symmetrization framework for arbitrary planar groups. Our method transforms any 2D continuous representation into a symmetric one while preserving continuity. We provide the mathematical formulation of this representation, demonstrate its approximation capability for symmetric functions, and detail the construction methodology. We validate our approach through three visual design tasks (pattern design, paper-cutting design and stylized topology design) and one material design task. Experiments confirm that our representation enables effective symmetry control and demonstrate its broader applicability.

cs.LG↗
arXiv2026

LLaDA MoE v2: Scaling Mixture-of-Experts Diffusion Language Models

Diffusion language models (dLLMs) offer an alternative to autoregressive (AR) language modeling, yet the scaling behavior of Mixture-of-Experts (MoE) dLLMs remains poorly understood. We systematically characterize how optimization hyperparameters, compute allocation, and architecture scale for MoE dLLMs, identifying quantitative differences from scaling trends previously reported for AR models. Specifically, for optimization, the optimal nominal batch size grows faster, while the optimal learning rate decays more rapidly with compute. For model--data allocation, IsoFLOP analysis reveals a slight data-side tilt: the optimal token budget grows faster than activated model-side computation. For MoE architecture, larger scales increasingly favor larger expert pools at fixed activated capacity, while moderate expert granularity remains consistently effective and the preferred fraction of activated capacity assigned to shared experts remains stable across scales. Guided by these findings, we train LLaDA MoE v2, a 30B-A3B dLLM, from scratch on 23.5T tokens. With approximately 65\% as many pretraining tokens as Qwen3, LLaDA MoE v2 approaches Qwen3 on several knowledge, reasoning, and coding benchmarks. After supervised fine-tuning alone, it outperforms SDAR Chat on seven of eight reasoning and coding benchmarks and remains close to Qwen3 on several tasks. These results establish practical scaling laws and design principles for MoE dLLMs.

cs.AI↗
arXiv2026

Improved Large Language Diffusion Models

Modern large language models are predominantly trained with autoregressive factorization and causal attention. We present \emph{iLLaDA}, an 8B masked diffusion language model trained from scratch with fully bidirectional attention. iLLaDA keeps the masked diffusion objective throughout pre-training and supervised fine-tuning (SFT), scaling pre-training to 12T tokens and fine-tuning on a 25B-token instruction corpus for 12 epochs. We further use variable-length generation for efficiency and introduce confidence-based scoring for multiple-choice evaluation. Compared with LLaDA, iLLaDA improves broadly across general, mathematical, and code benchmarks; for example, iLLaDA-Base improves by 21.6 points on BBH and 14.9 points on ARC-Challenge, while iLLaDA-Instruct improves by 14.5 points on MATH and 16.5 points on HumanEval. Despite its non-autoregressive training, iLLaDA also remains competitive with Qwen2.5 7B on several benchmarks. These results show that fully bidirectional diffusion training from scratch is a competitive path toward strong language models. Model weights and codes: https://github.com/ML-GSAI/LLaDA.

cs.CL↗
arXiv2026

Causal Forcing: Autoregressive Diffusion Distillation Done Right for High-Quality Real-Time Interactive Video Generation

To achieve real-time interactive video generation, current methods distill pretrained bidirectional video diffusion models into few-step autoregressive (AR) models, facing an architectural gap when full attention is replaced by causal attention. However, existing approaches do not bridge this gap theoretically. They initialize the AR student via ODE distillation, which requires frame-level injectivity, where each noisy frame must map to a unique clean frame under the PF-ODE of an AR teacher. Distilling an AR student from a bidirectional teacher violates this condition, preventing recovery of the teacher's flow map and instead inducing a conditional-expectation solution, which degrades performance. To address this issue, we propose Causal Forcing, which uses an autoregressive teacher for ODE initialization to bridge the architectural gap, and then applies the same DMD procedure as in Self Forcing. Empirical results show that our method outperforms all baselines across all metrics, surpassing the SOTA Self Forcing by 19.3\% in Dynamic Degree, 8.7\% in VisionReward, and 16.7\% in Instruction Following. Project page: \href{https://thu-ml.github.io/CausalForcing.github.io/}{https://thu-ml.github.io/CausalForcing.github.io/}; the code: \href{https://github.com/thu-ml/Causal-Forcing}{https://github.com/thu-ml/Causal-Forcing}.

cs.CV↗
arXiv2026

Causal Forcing++: Scalable Few-Step Autoregressive Diffusion Distillation for Real-Time Interactive Video Generation

Real-time interactive video generation requires low-latency, streaming, and controllable rollout. Existing autoregressive (AR) diffusion distillation methods have achieved strong results in the chunk-wise 4-step regime by distilling bidirectional base models into few-step AR students, but they remain limited by coarse response granularity and non-negligible sampling latency. In this paper, we study a more aggressive setting: frame-wise autoregression with only 1--2 sampling steps. In this regime, we identify the initialization of a few-step AR student as the key bottleneck: existing strategies are either target-misaligned, incapable of few-step generation, or too costly to scale. We propose \textbf{Causal Forcing++}, a principled and scalable pipeline that uses \emph{causal consistency distillation} (causal CD) for few-step AR initialization. The core idea is that causal CD learns the same AR-conditional flow map as causal ODE distillation, but obtains supervision from a single online teacher ODE step between adjacent timesteps, avoiding the need to precompute and store full PF-ODE trajectories. This makes the initialization both more efficient and easier to optimize. The resulting pipeline, \ours, surpasses the SOTA 4-step chunk-wise Causal Forcing under the \textit{\textbf{frame-wise 2-step setting}} by 0.1 in VBench Total, 0.3 in VBench Quality, and 0.335 in VisionReward, while reducing first-frame latency by 50\% and Stage 2 training cost by $\sim$$4\times$. We further extend the pipeline to action-conditioned world model generation in the spirit of Genie3. Project Page: https://github.com/thu-ml/Causal-Forcing and https://github.com/shengshu-ai/minWM .

cs.CV↗
arXiv2026

Optimization and Generation in Aerodynamics Inverse Design

Aerodynamic inverse design can improve vehicle and aircraft efficiency, but practical design rarely seeks performance alone: vehicle refinement must reduce drag while preserving visual features linked to design language, brand recognition and user perception. Traditional CFD-driven optimization is accurate but slow for broad exploration, and current learning-based methods are still largely performance-driven and lack a coherent target linking optimization, generation and visual consistency. Here we formulate visual preservation and aerodynamic improvement as one probability target. Designs consistent with a reference shape or view define a learned visual design distribution, which is reweighted by aerodynamic cost. Optimization then refines an initial geometry toward a low-cost, high-probability design, whereas guided generation samples lower-cost 3D candidates from the same input view. OpenFOAM evaluation shows that visual-feature-preserving optimization reduces vehicle drag by 5.8\% relative to the initial vehicle and reduces the best valid aircraft drag-to-lift objective by 28.8\% relative to the initial aircraft while preserving input visual features. For view-based generation, guidance reduces vehicle drag by 3.0\% and the aircraft drag-to-lift objective by 68.6\% relative to direct generation from the same view, while maintaining visual consistency. Wind-tunnel tests with 3D-printed vehicle prototypes provide an independent wake-level check, and controlled analyses explain the distributional mechanisms behind these results. This work provides a probabilistic foundation and practical route for visual-feature-preserving aerodynamic refinement and early-stage 3D design exploration.

cs.LG↗
arXiv2026

minWM: A Full-Stack Open-Source Framework for Real-Time Interactive Video World Models

Recent video diffusion foundation models have achieved remarkable progress in high-quality video generation, yet turning them into real-time interactive video world models remains challenging. Interactive world models require controllable, causal, and low-latency rollout, which in practice demands a full pipeline spanning data construction, controllable fine-tuning, autoregressive training, few-step distillation, and streaming inference. In this work, we present minWM, a full-stack open-source framework for building real-time interactive video world models. minWM provides an end-to-end pipeline that converts existing bidirectional T2V/TI2V video foundation models into camera-controllable few-step autoregressive world models. Specifically, minWM first fine-tunes a bidirectional video diffusion model with camera control, and then applies the Causal Forcing / Causal Forcing++ pipeline, including AR diffusion training, causal ODE or causal consistency distillation, and asymmetric DMD, to distill it into a few-step autoregressive generator for low-latency rollout. The framework is modular and architecture-extensible: we instantiate it on representative open backbones, including Wan2.1-T2V-1.3B and HY1.5-TI2V-8B, covering both cross-attention-based condition injection and MMDiT-style architectures. minWM also supports adapting existing video world models, such as HY-WorldPlay, to new data distributions, training recipes, and latency targets. Beyond releasing runnable scripts, checkpoints, documentation, and inference code, we provide practical ablations on camera trajectory quality, controllability training steps, and minimal batch-size requirements. We hope minWM serves as a reproducible and extensible recipe for building and adapting real-time interactive video world models. Project Page: [https://github.com/shengshu-ai/minWM](https://github.com/shengshu-ai/minWM)

cs.CV↗
arXiv2026

Spectral Condition for $μ$P under Width-Depth Scaling

Generative foundation models are increasingly scaled in both width and depth, posing significant challenges for stable feature learning and reliable hyperparameter (HP) transfer across model sizes. While maximal update parameterization ($μ$P) has provided a principled solution to both problems for width scaling, existing extensions to the joint width-depth scaling regime remain fragmented, architecture- and optimizer-specific, and often rely on technically involved theories. In this work, we develop a simple and unified spectral framework for $μ$P under joint width-depth scaling. For deep residual networks whose residual blocks contain $k$ transformations, the framework specifies how the norms of weights and their per-step updates should scale with width and depth. It reveals a fundamental transition from $k=1$ to $k\geq 2$, unifying previously disparate $μ$P formulations and identifying the $k\geq 2$ case as more appropriate for practical architectures with multi-transformation branches such as Transformers. Building on this framework, we derive a general recipe for implementing $μ$P across a broad class of optimizers by mapping spectral constraints to concrete HP parameterizations, recovering existing results and extending them to additional optimizers. Finally, experiments on GPT-2 style language models show that the $μ$P formulation derived from the $k\geq 2$ case achieves stable feature learning and robust HP transfer under width-depth scaling, whereas standard parameterization and $μ$P in the $k=1$ case often fail to do so. These results support the practical effectiveness of the proposed spectral framework.

cs.LG↗
arXiv2026

Pose-Aware Diffusion for 3D Generation

Generating pose-aligned 3D objects is challenging due to the spatial mismatches and transformation ambiguities inherent in decoupled canonical-then-rotate paradigms. To this end, we introduce Pose-Aware Diffusion (PAD), a novel end-to-end diffusion framework that synthesizes 3D geometry directly within the observation space. By unprojecting monocular depth into a partial point cloud and explicitly injecting it as a 3D geometric anchor, PAD abandons canonical assumptions to enforce rigorous spatial supervision. This native generation intrinsically resolves pose ambiguity, producing high-fidelity pose-aligned assets. Extensive experiments demonstrate that PAD achieves superior geometric alignment and image-to-3D correspondence compared to state-of-the-art methods. Additionally, PAD naturally extends to compositional 3D scene reconstruction via a simple union of independently generated objects, highlighting its robust ability to preserve precise spatial layouts.

cs.CV↗
arXiv2026

Your Absorbing Discrete Diffusion Secretly Models the Conditional Distributions of Clean Data

Discrete diffusion models with absorbing processes have shown promise in language modeling. The key quantities to be estimated are the ratios between the marginal probabilities of two transitive states at all timesteps, called the concrete score. In this paper, we reveal that the concrete score in absorbing diffusion can be expressed as conditional probabilities of clean data, multiplied by a time-dependent scalar in an analytic form. Motivated by this finding, we propose reparameterized absorbing discrete diffusion (RADD), a dedicated diffusion model without time-condition that characterizes the time-independent conditional probabilities. Besides its simplicity, RADD can reduce the number of function evaluations (NFEs) by caching the output of the time-independent network when the noisy sample remains unchanged in a sampling interval, which enables sampling acceleration. Built upon the new perspective of conditional distributions, we further unify absorbing discrete diffusion and any-order autoregressive models (AO-ARMs), showing that the upper bound on the negative log-likelihood for the diffusion model can be interpreted as an expected negative log-likelihood for AO-ARMs. Further, our RADD models achieve SOTA performance among diffusion models on 5 zero-shot language modeling benchmarks (measured by perplexity) at the GPT-2 scale. Our code is available at https://github.com/ML-GSAI/RADD.

cs.LG↗
arXiv2026

Masked Diffusion Models as Energy Minimization

We present a systematic theoretical framework that interprets masked diffusion models (MDMs) as solutions to energy minimization problems in discrete optimal transport. Specifically, we prove that three distinct energy formulations--kinetic, conditional kinetic, and geodesic energy--are mathematically equivalent under the structure of MDMs, and that MDMs minimize all three when the mask schedule satisfies a closed-form optimality condition. This unification not only clarifies the theoretical foundations of MDMs, but also motivates practical improvements in sampling. By parameterizing interpolation schedules via Beta distributions, we reduce the schedule design space to a tractable 2D search, enabling efficient post-training tuning without model modification. Experiments on synthetic and real-world benchmarks demonstrate that our energy-inspired schedules outperform hand-crafted baselines, particularly in low-step sampling settings.

cs.LG↗
arXiv2026

ReFusion: A Diffusion Large Language Model with Parallel Autoregressive Decoding

Autoregressive models (ARMs) are hindered by slow sequential inference. While masked diffusion models (MDMs) offer a parallel alternative, they suffer from critical drawbacks: high computational overhead from precluding Key-Value (KV) caching, and incoherent generation arising from learning dependencies over an intractable space of token combinations. To address these limitations, we introduce \textsc{ReFusion}, a novel masked diffusion model that integrates sequence reorganization into the causal attention framework. By elevating parallel decoding from the token level to a higher slot level, \textsc{ReFusion} interleaves inter-slot diffusion-based selection with intra-slot autoregressive infilling, while reordering newly generated slots ahead of the remaining masks after each iteration. Consequently, this design simultaneously unlocks full KV cache reuse and reduces learning complexity from an intractable token combination space to a manageable slot-level permutation space. Extensive experiments on seven diverse benchmarks show that \textsc{ReFusion} not only overwhelmingly surpasses prior MDMs with a 34\% performance gain and an over 18$\times$ speedup on average, but also bridges the performance gap to strong ARMs while maintaining a 2.33$\times$ average speedup.

cs.CL↗
arXiv2026

Effective and Efficient Masked Image Generation Models

Although masked image generation models and masked diffusion models are designed with different motivations and objectives, we observe that they can be unified within a single framework. Building upon this insight, we carefully explore the design space of training and sampling, identifying key factors that contribute to both performance and efficiency. Based on the improvements observed during this exploration, we develop our model, referred to as \textbf{eMIGM}. Empirically, eMIGM demonstrates strong performance on ImageNet generation, as measured by Fréchet Inception Distance (FID). In particular, on ImageNet $256\times256$, with similar number of function evaluations (NFEs) and model parameters, eMIGM outperforms the seminal VAR. Moreover, as NFE and model parameters increase, eMIGM achieves performance comparable to the state-of-the-art continuous diffusion model REPA while requiring less than 45\% of the NFE. Additionally, on ImageNet $512\times512$, eMIGM outperforms the strong continuous diffusion model EDM2. Code is available at https://github.com/ML-GSAI/eMIGM.

cs.CV↗
arXiv2026

UltraViCo: Breaking Extrapolation Limits in Video Diffusion Transformers

Despite advances, video diffusion transformers still struggle to generalize beyond their training length, a challenge we term video length extrapolation. We identify two failure modes: model-specific periodic content repetition and a universal quality degradation. Prior works attempt to solve repetition via positional encodings, overlooking quality degradation and achieving only limited extrapolation. In this paper, we revisit this challenge from a more fundamental view: attention maps, which directly govern how context influences outputs. We identify that both failure modes arise from a unified cause: attention dispersion, where tokens beyond the training window dilute learned attention patterns. This leads to quality degradation and repetition emerges as a special case when this dispersion becomes structured into periodic attention patterns, induced by harmonic properties of positional encodings. Building on this insight, we propose UltraViCo, a training-free, plug-and-play method that suppresses attention for tokens beyond the training window via a constant decay factor. By jointly addressing both failure modes, we outperform a broad set of baselines largely across models and extrapolation ratios, pushing the extrapolation limit from 2x to 4x. Remarkably, it improves Dynamic Degree and Imaging Quality by 233% and 40.5% over the previous best method at 4x extrapolation. Furthermore, our method generalizes seamlessly to downstream tasks such as controllable video synthesis and editing.

cs.CV↗
arXiv2026

LLaDA-o: An Effective and Length-Adaptive Omni Diffusion Model

We present \textbf{LLaDA-o}, an effective and length-adaptive omni diffusion model for multimodal understanding and generation. LLaDA-o is built on a Mixture of Diffusion (MoD) framework that decouples discrete masked diffusion for text understanding and continuous diffusion for visual generation, while coupling them through a shared, simple, and efficient attention backbone that reduces redundant computation for fixed conditions. Building on MoD, we further introduce a data-centric length adaptation strategy that enables flexible-length decoding in multimodal settings without architectural changes. Extensive experiments show that LLaDA-o achieves state-of-the-art performance among omni-diffusion models on multimodal understanding and generation benchmarks, and reaches 87.04 on DPG-Bench for text-to-image generation, supporting the effectiveness of unified omni diffusion modeling. Code is available at https://github.com/ML-GSAI/LLaDA-o.

cs.CV↗
arXiv2026

DLLM-Searcher: Adapting Diffusion Large Language Model for Search Agents

Recently, Diffusion Large Language Models (dLLMs) have demonstrated unique efficiency advantages, enabled by their inherently parallel decoding mechanism and flexible generation paradigm. Meanwhile, despite the rapid advancement of Search Agents, their practical deployment is constrained by a fundamental limitation, termed as 1) Latency Challenge: the serial execution of multi-round reasoning, tool calling, and tool response waiting under the ReAct agent paradigm induces severe end-to-end latency. Intuitively, dLLMs can leverage their distinctive strengths to optimize the operational efficiency of agents under the ReAct agent paradigm. Practically, existing dLLM backbones face the 2) Agent Ability Challenge. That is, existing dLLMs exhibit remarkably weak reasoning and tool-calling capabilities, preventing these advantages from being effectively realized in practice. In this paper, we propose DLLM-Searcher, an optimization framework for dLLM-based Search Agents. To solve the Agent Ability Challenge, we design a two-stage post-training pipeline encompassing Agentic Supervised Fine-Tuning (Agentic SFT) and Agentic Variance-Reduced Preference Optimization Agentic VRPO, which enhances the backbone dLLM's information seeking and reasoning capabilities. To mitigate the Latency Challenge, we leverage the flexible generation mechanism of dLLMs and propose a novel agent paradigm termed Parallel-Reasoning and Acting P-ReAct. P-ReAct guides the model to prioritize decoding tool_call instructions, thereby allowing the model to keep thinking while waiting for the tool's return. Experimental results demonstrate that DLLM-Searcher achieves performance comparable to mainstream LLM-based search agents and P-ReAct delivers approximately 15% inference acceleration. Our code is available at https://anonymous.4open.science/r/DLLM-Searcher-553C

cs.AI↗
arXiv2025

LLaDA2.0: Scaling Up Diffusion Language Models to 100B

This paper presents LLaDA2.0 -- a tuple of discrete diffusion large language models (dLLM) scaling up to 100B total parameters through systematic conversion from auto-regressive (AR) models -- establishing a new paradigm for frontier-scale deployment. Instead of costly training from scratch, LLaDA2.0 upholds knowledge inheritance, progressive adaption and efficiency-aware design principle, and seamless converts a pre-trained AR model into dLLM with a novel 3-phase block-level WSD based training scheme: progressive increasing block-size in block diffusion (warm-up), large-scale full-sequence diffusion (stable) and reverting back to compact-size block diffusion (decay). Along with post-training alignment with SFT and DPO, we obtain LLaDA2.0-mini (16B) and LLaDA2.0-flash (100B), two instruction-tuned Mixture-of-Experts (MoE) variants optimized for practical deployment. By preserving the advantages of parallel decoding, these models deliver superior performance and efficiency at the frontier scale. Both models were open-sourced.

cs.LG↗