arXiv subjects

Siyu Zhu

Publications and source records attributed to Siyu Zhu.

At least 55 records · Page 3Linked to original sources

arXiv2026

MolReasoner: Toward Effective and Interpretable Reasoning for Molecular LLMs

Large Language Models (LLMs) have shown impressive performance across various domains, but their ability to perform molecular reasoning remains underexplored. Existing methods mostly rely on general-purpose prompting, which lacks domain-specific molecular semantics, or fine-tuning, which faces challenges in interpretability and reasoning depth, often leading to structural and textual hallucinations. To address these issues, we introduce MolReasoner, a two-stage framework that transitions LLMs from memorization to high-fidelity chemical reasoning. In the Mol-SFT stage, knowledge-enhanced Chain-of-Thought (CoT) data provides a strong foundation, while the Mol-RL stage refines reasoning using a novel, task-adaptive reward system to mitigate hallucinations. Extensive evaluations demonstrate that MolReasoner significantly outperforms a wide range of strong baselines in both molecule generation and captioning tasks. Further analyses highlight the framework's synergistic design and its ability to produce more interpretable outputs. Our work presents a principled and effective new approach for advancing high-fidelity molecular reasoning.

cs.LG↗

arXiv2026

LaTo: Landmark-tokenized Diffusion Transformer for Fine-grained Human Face Editing

Recent multimodal models for instruction-based face editing enable semantic manipulation but still struggle with precise attribute control and identity preservation. Structural facial representations such as landmarks are effective for intermediate supervision, yet most existing methods treat them as rigid geometric constraints, which can degrade identity when conditional landmarks deviate significantly from the source (e.g., large expression or pose changes, inaccurate landmark estimates). To address these limitations, we propose LaTo, a landmark-tokenized diffusion transformer for fine-grained, identity-preserving face editing. Our key innovations include: (1) a landmark tokenizer that directly quantizes raw landmark coordinates into discrete facial tokens, obviating the need for dense pixel-wise correspondence; (2) a location-mapped positional encoding and a landmark-aware classifier-free guidance that jointly facilitate flexible yet decoupled interactions among instruction, geometry, and appearance, enabling strong identity preservation; and (3) a landmark predictor that leverages vision-language models to infer target landmarks from instructions and source images, whose structured chain-of-thought improves estimation accuracy and interactive control. To mitigate data scarcity, we curate HFL-150K, to our knowledge the largest benchmark for this task, containing over 150K real face pairs with fine-grained instructions. Extensive experiments show that LaTo outperforms state-of-the-art methods by 7.8% in identity preservation and 4.6% in semantic consistency. Code and dataset will be made publicly available upon acceptance.

cs.CV↗

arXiv2025

WAM-Flow: Parallel Coarse-to-Fine Motion Planning via Discrete Flow Matching for Autonomous Driving

We introduce WAM-Flow, a vision-language-action (VLA) model that casts ego-trajectory planning as discrete flow matching over a structured token space. In contrast to autoregressive decoders, WAM-Flow performs fully parallel, bidirectional denoising, enabling coarse-to-fine refinement with a tunable compute-accuracy trade-off. Specifically, the approach combines a metric-aligned numerical tokenizer that preserves scalar geometry via triplet-margin learning, a geometry-aware flow objective and a simulator-guided GRPO alignment that integrates safety, ego progress, and comfort rewards while retaining parallel generation. A multi-stage adaptation converts a pre-trained auto-regressive backbone (Janus-1.5B) from causal decoding to non-causal flow model and strengthens road-scene competence through continued multimodal pretraining. Thanks to the inherent nature of consistency model training and parallel decoding inference, WAM-Flow achieves superior closed-loop performance against autoregressive and diffusion-based VLA baselines, with 1-step inference attaining 89.1 PDMS and 5-step inference reaching 90.3 PDMS on NAVSIM v1 benchmark. These results establish discrete flow matching as a new promising paradigm for end-to-end autonomous driving. The code will be publicly available soon.

cs.RO↗

arXiv2025

WAM-Diff: A Masked Diffusion VLA Framework with MoE and Online Reinforcement Learning for Autonomous Driving

End-to-end autonomous driving systems based on vision-language-action (VLA) models integrate multimodal sensor inputs and language instructions to generate planning and control signals. While autoregressive large language models and continuous diffusion policies are prevalent, the potential of discrete masked diffusion for trajectory generation remains largely unexplored. This paper presents WAM-Diff, a VLA framework that employs masked diffusion to iteratively refine a discrete sequence representing future ego-trajectories. Our approach features three key innovations: a systematic adaptation of masked diffusion for autonomous driving that supports flexible, non-causal decoding orders; scalable model capacity via a sparse MoE architecture trained jointly on motion prediction and driving-oriented visual question answering (VQA); and online reinforcement learning using Group Sequence Policy Optimization (GSPO) to optimize sequence-level driving rewards. Remarkably, our model achieves 91.0 PDMS on NAVSIM-v1 and 89.7 EPDMS on NAVSIM-v2, demonstrating the effectiveness of masked diffusion for autonomous driving. The approach provides a promising alternative to autoregressive and diffusion-based policies, supporting scenario-aware decoding strategies for trajectory generation. The code for this paper will be released publicly at: https://github.com/fudan-generative-vision/WAM-Diff

cs.RO↗

arXiv2025

Hallo4: High-Fidelity Dynamic Portrait Animation via Direct Preference Optimization

Generating highly dynamic and photorealistic portrait animations driven by audio and skeletal motion remains challenging due to the need for precise lip synchronization, natural facial expressions, and high-fidelity body motion dynamics. We propose a human-preference-aligned diffusion framework that addresses these challenges through two key innovations. First, we introduce direct preference optimization tailored for human-centric animation, leveraging a curated dataset of human preferences to align generated outputs with perceptual metrics for portrait motion-video alignment and naturalness of expression. Second, the proposed temporal motion modulation resolves spatiotemporal resolution mismatches by reshaping motion conditions into dimensionally aligned latent features through temporal channel redistribution and proportional feature expansion, preserving the fidelity of high-frequency motion details in diffusion-based synthesis. The proposed mechanism is complementary to existing UNet and DiT-based portrait diffusion approaches, and experiments demonstrate obvious improvements in lip-audio synchronization, expression vividness, body motion coherence over baseline methods, alongside notable gains in human preference metrics. Our model and source code can be found at: https://github.com/fudan-generative-vision/hallo4.

cs.CV↗

arXiv2025

Can Large Language Models Function as Qualified Pediatricians? A Systematic Evaluation in Real-World Clinical Contexts

With the rapid rise of large language models (LLMs) in medicine, a key question is whether they can function as competent pediatricians in real-world clinical settings. We developed PEDIASBench, a systematic evaluation framework centered on a knowledge-system framework and tailored to realistic clinical environments. PEDIASBench assesses LLMs across three dimensions: application of basic knowledge, dynamic diagnosis and treatment capability, and pediatric medical safety and medical ethics. We evaluated 12 representative models released over the past two years, including GPT-4o, Qwen3-235B-A22B, and DeepSeek-V3, covering 19 pediatric subspecialties and 211 prototypical diseases. State-of-the-art models performed well on foundational knowledge, with Qwen3-235B-A22B achieving over 90% accuracy on licensing-level questions, but performance declined ~15% as task complexity increased, revealing limitations in complex reasoning. Multiple-choice assessments highlighted weaknesses in integrative reasoning and knowledge recall. In dynamic diagnosis and treatment scenarios, DeepSeek-R1 scored highest in case reasoning (mean 0.58), yet most models struggled to adapt to real-time patient changes. On pediatric medical ethics and safety tasks, Qwen2.5-72B performed best (accuracy 92.05%), though humanistic sensitivity remained limited. These findings indicate that pediatric LLMs are constrained by limited dynamic decision-making and underdeveloped humanistic care. Future development should focus on multimodal integration and a clinical feedback-model iteration loop to enhance safety, interpretability, and human-AI collaboration. While current LLMs cannot independently perform pediatric care, they hold promise for decision support, medical education, and patient communication, laying the groundwork for a safe, trustworthy, and collaborative intelligent pediatric healthcare system.

cs.CL↗

arXiv2025

MCM: Multi-layer Concept Map for Efficient Concept Learning from Masked Images

Masking strategies commonly employed in natural language processing are still underexplored in vision tasks such as concept learning, where conventional methods typically rely on full images. However, using masked images diversifies perceptual inputs, potentially offering significant advantages in concept learning with large-scale Transformer models. To this end, we propose Multi-layer Concept Map (MCM), the first work to devise an efficient concept learning method based on masked images. In particular, we introduce an asymmetric concept learning architecture by establishing correlations between different encoder and decoder layers, updating concept tokens using backward gradients from reconstruction tasks. The learned concept tokens at various levels of granularity help either reconstruct the masked image patches by filling in gaps or guide the reconstruction results in a direction that reflects specific concepts. Moreover, we present both quantitative and qualitative results across a wide range of metrics, demonstrating that MCM significantly reduces computational costs by training on fewer than 75% of the total image patches while enhancing concept prediction performance. Additionally, editing specific concept tokens in the latent space enables targeted image generation from masked images, aligning both the visible contextual patches and the provided concepts. By further adjusting the testing time mask ratio, we could produce a range of reconstructions that blend the visible patches with the provided concepts, proportional to the chosen ratios.

cs.CV↗

arXiv2025

Low-temperature entropies and possible states in geometrically frustrated magnets

The entropy that an insulating magnetic material releases upon cooling can reveal important information about the properties of spin states in that material. In many geometrically frustrated (GF) magnetic compounds, the heat capacity exhibits a low-temperature peak that comes from the spin states continuously connected to the ground states of classical models, such as the Ising model, on the same GF lattice, which manifests in the amount of entropy associated with this heat-capacity peak. In this work, we simulate numerically the values of entropy released by higher-spin triangular-lattice layered systems and materials on SCGO lattices. We also compare the experimentally measured values of entropy in several strongly GF compounds, $NiGa_2S_4$, $FeAl_2Se_4$ and SCGO/BSZCGO, with possible theoretical values inferred from the classical models to which the quantum states of those materials may be connected. This comparison suggests that the lowest-energy states of higher-spin layered triangular-lattice compounds can be described in terms of doublet states on individual magnetic sites. Our analyses demonstrate how the values of entropy can reveal the structure of low-energy magnetic states in GF compounds and call for more accurate thermodynamic measurement in GF magnetic materials.

cond-mat.str-el↗

arXiv2025

Scaling Down, Serving Fast: Compressing and Deploying Efficient LLMs for Recommendation Systems

Large language models (LLMs) have demonstrated remarkable performance across a wide range of industrial applications, from search and recommendation systems to generative tasks. Although scaling laws indicate that larger models generally yield better generalization and performance, their substantial computational requirements often render them impractical for many real-world scenarios at scale. In this paper, we present a comprehensive set of insights for training and deploying small language models (SLMs) that deliver high performance for a variety of industry use cases. We focus on two key techniques: (1) knowledge distillation and (2) model compression via structured pruning and quantization. These approaches enable SLMs to retain much of the quality of their larger counterparts while significantly reducing training/serving costs and latency. We detail the impact of these techniques on a variety of use cases in a large professional social network platform and share deployment lessons, including hardware optimization strategies that improve speed and throughput for both predictive and reasoning-based applications in Recommendation Systems.

cs.IR↗

arXiv2025

Agentic Reinforcement Learning for Real-World Code Repair

We tackle the challenge of training reliable code-fixing agents in real repositories, where complex builds and shifting dependencies make evaluation unstable. We developed a verifiable pipeline with success defined as post-fix build validation and improved reproducibility across ~1K real issues by pinning dependencies and disabling automatic upgrades. Building on this, we introduced a scalable simplified pipeline for large-scale reinforcement learning (RL). Using this setup, we supervised fine-tuned Qwen3-32B in the full pipeline and applied RL on top of the SFT model in the simplified environment. The SFT model distilled from GPT-4.1 trajectories performs on par while being 56x smaller, and RL added 7-20% absolute gains under matched train-test conditions. "Thinking mode" was on par or worse in our experiments. Both SFT and RL models failed to generalize across environments, highlighting the importance of matching train-test environments for building reliable real-world code-fixing agents.

cs.LG↗

arXiv2025

OmniMotion: Multimodal Motion Generation with Continuous Masked Autoregression

Whole-body multi-modal human motion generation poses two primary challenges: creating an effective motion generation mechanism and integrating various modalities, such as text, speech, and music, into a cohesive framework. Unlike previous methods that usually employ discrete masked modeling or autoregressive modeling, we develop a continuous masked autoregressive motion transformer, where a causal attention is performed considering the sequential nature within the human motion. Within this transformer, we introduce a gated linear attention and an RMSNorm module, which drive the transformer to pay attention to the key actions and suppress the instability caused by either the abnormal movements or the heterogeneous distributions within multi-modalities. To further enhance both the motion generation and the multimodal generalization, we employ the DiT structure to diffuse the conditions from the transformer towards the targets. To fuse different modalities, AdaLN and cross-attention are leveraged to inject the text, speech, and music signals. Experimental results demonstrate that our framework outperforms previous methods across all modalities, including text-to-motion, speech-to-gesture, and music-to-dance. The code of our method will be made public.

cs.CV↗

arXiv2025

Planner-R1: Reward Shaping Enables Efficient Agentic RL with Smaller LLMs

We investigated Agentic RL with large language models on the \textsc{TravelPlanner} benchmark. Our approach, \textsc{Planner-R1}, achieved a \textbf{56.9\%} final-pass rate with only 180 training queries, a $2.7\times$ improvement over GPT-5's $21.2\%$ baseline and the strongest agentic result on the public leaderboard. A central finding was that smaller models (8B) were highly responsive to reward shaping: with dense process-level signals, they reached competitive performance while being $3.5\times$ more compute-efficient and $1.5\times$ more memory-efficient than 32B models. Larger models were more robust under sparse rewards but exhibited smaller relative gains from shaping and higher variance across runs. While curriculum learning offered no significant benefit, shaped rewards consistently amplified learning dynamics, making 8B models the most efficient setting for agentic RL. Crucially, these gains did not come at the cost of overfitting: fine-tuned models mostly maintained or exceeded baseline performance on out-of-domain tasks, including \textsc{Multi-IF}, \textsc{NaturalPlan}, and $τ$-\textsc{Bench}. These results establish reward shaping as a decisive lever for scaling agentic RL, highlight the competitive strength of smaller models, and demonstrate that efficiency can be achieved without sacrificing generalization.

cs.AI↗

arXiv2025

AQUAH: Automatic Quantification and Unified Agent in Hydrology

We introduce AQUAH, the first end-to-end language-based agent designed specifically for hydrologic modeling. Starting from a simple natural-language prompt (e.g., 'simulate floods for the Little Bighorn basin from 2020 to 2022'), AQUAH autonomously retrieves the required terrain, forcing, and gauge data; configures a hydrologic model; runs the simulation; and generates a self-contained PDF report. The workflow is driven by vision-enabled large language models, which interpret maps and rasters on the fly and steer key decisions such as outlet selection, parameter initialization, and uncertainty commentary. Initial experiments across a range of U.S. basins show that AQUAH can complete cold-start simulations and produce analyst-ready documentation without manual intervention. The results are judged by hydrologists as clear, transparent, and physically plausible. While further calibration and validation are still needed for operational deployment, these early outcomes highlight the promise of LLM-centered, vision-grounded agents to streamline complex environmental modeling and lower the barrier between Earth observation data, physics-based tools, and decision makers.

cs.AI↗

arXiv2025

UVOSAM: A Mask-free Paradigm for Unsupervised Video Object Segmentation via Segment Anything Model

The current state-of-the-art methods for unsupervised video object segmentation (UVOS) require extensive training on video datasets with mask annotations, limiting their effectiveness in handling challenging scenarios. However, the Segment Anything Model (SAM) introduces a new prompt-driven paradigm for image segmentation, offering new possibilities. In this study, we investigate SAM's potential for UVOS through different prompt strategies. We then propose UVOSAM, a mask-free paradigm for UVOS that utilizes the STD-Net tracker. STD-Net incorporates a spatial-temporal decoupled deformable attention mechanism to establish an effective correlation between intra- and inter-frame features, remarkably enhancing the quality of box prompts in complex video scenes. Extensive experiments on the DAVIS2017-unsupervised and YoutubeVIS19\&21 datasets demonstrate the superior performance of UVOSAM without mask supervision compared to existing mask-supervised methods, as well as its ability to generalize to weakly-annotated video datasets. Code can be found at https://github.com/alibaba/UVOSAM.

cs.CV↗

arXiv2025

DicFace: Dirichlet-Constrained Variational Codebook Learning for Temporally Coherent Video Face Restoration

Video face restoration faces a critical challenge in maintaining temporal consistency while recovering fine facial details from degraded inputs. This paper presents a novel approach that extends Vector-Quantized Variational Autoencoders (VQ-VAEs), pretrained on static high-quality portraits, into a video restoration framework through variational latent space modeling. Our key innovation lies in reformulating discrete codebook representations as Dirichlet-distributed continuous variables, enabling probabilistic transitions between facial features across frames. A spatio-temporal Transformer architecture jointly models inter-frame dependencies and predicts latent distributions, while a Laplacian-constrained reconstruction loss combined with perceptual (LPIPS) regularization enhances both pixel accuracy and visual quality. Comprehensive evaluations on blind face restoration, video inpainting, and facial colorization tasks demonstrate state-of-the-art performance. This work establishes an effective paradigm for adapting intensive image priors, pretrained on high-quality images, to video restoration while addressing the critical challenge of flicker artifacts. The source code has been open-sourced and is available at https://github.com/fudan-generative-vision/DicFace.

cs.CV↗

arXiv2025

AlphaPO: Reward Shape Matters for LLM Alignment

Reinforcement Learning with Human Feedback (RLHF) and its variants have made huge strides toward the effective alignment of large language models (LLMs) to follow instructions and reflect human values. More recently, Direct Alignment Algorithms (DAAs) have emerged in which the reward modeling stage of RLHF is skipped by characterizing the reward directly as a function of the policy being learned. Some popular examples of DAAs include Direct Preference Optimization (DPO) and Simple Preference Optimization (SimPO). These methods often suffer from likelihood displacement, a phenomenon by which the probabilities of preferred responses are often reduced undesirably. In this paper, we argue that, for DAAs the reward (function) shape matters. We introduce \textbf{AlphaPO}, a new DAA method that leverages an $α$-parameter to help change the shape of the reward function beyond the standard log reward. AlphaPO helps maintain fine-grained control over likelihood displacement and over-optimization. Compared to SimPO, one of the best performing DAAs, AlphaPO leads to about 7\% to 10\% relative improvement in alignment performance for the instruct versions of Mistral-7B and Llama3-8B while achieving 15\% to 50\% relative improvement over DPO on the same models. The analysis and results presented highlight the importance of the reward shape and how one can systematically change it to affect training dynamics, as well as improve alignment performance.

cs.CL↗

arXiv2025

Direct3D-S2: Gigascale 3D Generation Made Easy with Spatial Sparse Attention

Generating high-resolution 3D shapes using volumetric representations such as Signed Distance Functions (SDFs) presents substantial computational and memory challenges. We introduce Direct3D-S2, a scalable 3D generation framework based on sparse volumes that achieves superior output quality with dramatically reduced training costs. Our key innovation is the Spatial Sparse Attention (SSA) mechanism, which greatly enhances the efficiency of Diffusion Transformer (DiT) computations on sparse volumetric data. SSA allows the model to effectively process large token sets within sparse volumes, substantially reducing computational overhead and achieving a 3.9x speedup in the forward pass and a 9.6x speedup in the backward pass. Our framework also includes a variational autoencoder (VAE) that maintains a consistent sparse volumetric format across input, latent, and output stages. Compared to previous methods with heterogeneous representations in 3D VAE, this unified design significantly improves training efficiency and stability. Our model is trained on public available datasets, and experiments demonstrate that Direct3D-S2 not only surpasses state-of-the-art methods in generation quality and efficiency, but also enables training at 1024 resolution using only 8 GPUs, a task typically requiring at least 32 GPUs for volumetric representations at 256 resolution, thus making gigascale 3D generation both practical and accessible. Project page: https://www.neural4d.com/research/direct3d-s2.

cs.CV↗

arXiv2025

Tora: Trajectory-oriented Diffusion Transformer for Video Generation

Recent advancements in Diffusion Transformer (DiT) have demonstrated remarkable proficiency in producing high-quality video content. Nonetheless, the potential of transformer-based diffusion models for effectively generating videos with controllable motion remains an area of limited exploration. This paper introduces Tora, the first trajectory-oriented DiT framework that concurrently integrates textual, visual, and trajectory conditions, thereby enabling scalable video generation with effective motion guidance. Specifically, Tora consists of a Trajectory Extractor (TE), a Spatial-Temporal DiT, and a Motion-guidance Fuser (MGF). The TE encodes arbitrary trajectories into hierarchical spacetime motion patches with a 3D motion compression network. The MGF integrates the motion patches into the DiT blocks to generate consistent videos that accurately follow designated trajectories. Our design aligns seamlessly with DiT's scalability, allowing precise control of video content's dynamics with diverse durations, aspect ratios, and resolutions. Extensive experiments demonstrate that Tora excels in achieving high motion fidelity compared to the foundational DiT model, while also accurately simulating the complex movements of the physical world. Code is made available at https://github.com/alibaba/Tora .

cs.CV↗