Yuan Qi

Zhixin Wang, Jiaming Xu, Tianyi Zhou et al.

Effectively scaling Reinforcement Learning (RL) is crucial for enhancing the reasoning and alignment of Large Language Models. The massive data and complex execution flows inherent in these tasks require a distributed architecture capable of efficient scaling. However, to simplify programming and dependency management, mainstream frameworks often rely on a centralized architecture where a single node dispatches both control and data. This inherent coupling creates significant communication bottlenecks, severely limiting system scalability and efficiency. We present DISTFLOW, a novel, fully distributed RL framework that adopts a multi-controller paradigm. By decoupling data transmission from control dispatch, DISTFLOW establishes a parallelism-aware, decentralized Data Coordinator that leverages local caching, load balancing, and asynchronous double buffer to minimize communication overhead and mitigate straggler effects. For control logic, it introduces a task scheduler built upon Directed Acyclic Graph (DAG) that facilitates fine-grained, independent execution. Experimental results demonstrate that DISTFLOW achieves near-linear scalability up to 512 GPUs and delivers up to a 2.63x throughput improvement over state-of-the-art (SOTA) frameworks. The source code is available at: https://github.com/sii-research/siiRL.

Lei Chen, Xiaohui Zhong, Feng Zhang et al.

Over the past few years, due to the rapid development of machine learning (ML) models for weather forecasting, state-of-the-art ML models have shown superior performance compared to the European Centre for Medium-Range Weather Forecasts (ECMWF)'s high-resolution forecast (HRES) in 10-day forecasts at a spatial resolution of 0.25 degree. However, the challenge remains to perform comparably to the ECMWF ensemble mean (EM) in 15-day forecasts. Previous studies have demonstrated the importance of mitigating the accumulation of forecast errors for effective long-term forecasts. Despite numerous efforts to reduce accumulation errors, including autoregressive multi-time step loss, using a single model is found to be insufficient to achieve optimal performance in both short and long lead times. Therefore, we present FuXi, a cascaded ML weather forecasting system that provides 15-day global forecasts with a temporal resolution of 6 hours and a spatial resolution of 0.25 degree. FuXi is developed using 39 years of the ECMWF ERA5 reanalysis dataset. The performance evaluation, based on latitude-weighted root mean square error (RMSE) and anomaly correlation coefficient (ACC), demonstrates that FuXi has comparable forecast performance to ECMWF EM in 15-day forecasts, making FuXi the first ML-based weather forecasting system to accomplish this achievement.

Kaihui Cheng, Zhiqiang Cai, Wenkai Xiang et al.

Generative emulators of protein dynamics produce plausible trajectories at a fraction of the cost of molecular dynamics, but they inherit their training distribution and tend to revisit known states rather than reach rare ones under long-horizon extrapolation. Inspired by classical enhanced sampling, we introduce an implicit, history-dependent bias in the generative space of a pretrained emulator. Specifically, a history-aware score estimator augments the frozen emulator with a distance-weighted bias that steers reverse-time sampling away from previously generated structures, regularized by an environment-support term. To preserve structural validity at long horizons, a score-based refinement step re-projects drifted samples onto the data manifold using the frozen emulator. Our experiments demonstrate that the method (i) raises diversity by $35\%$ on DynamicPDB-80; (ii) on $12$ zero-shot Fast-Folding proteins, the learned bias alone reaches the unbiased emulator's coverage up to ${\sim}15\times$ faster, and pairing it with refinement reaches the coverage up to ${\sim}37\times$ faster while covering ${\sim}3\times$ as many low-energy states. Code will be released soon.

Qiang Zhou, Zhibin Wang, Wei Chu et al.

Large language models (LLMs) have proven their remarkable versatility in handling a comprehensive range of language-centric applications. To expand LLMs' capabilities to a broader spectrum of modal inputs, multimodal large language models (MLLMs) have attracted growing interest. This work delves into enabling LLMs to tackle more vision-language-related tasks, particularly image captioning, visual question answering (VQA,) and visual grounding. To this end, we implemented a three-stage training scheme: starting with lightweight alignment pretraining, then moderate-weight multitask hybrid training, and finally, LLM fine-tuning to improve instruction following capability. Throughout the training process, the requirements on GPU memory gradually increase. To effectively manage the number of visual embeddings passed to the LLM while preserving their positional information, we introduce a straightforward visual adapter module dubbed pool-adapter. Our experiments demonstrate that preserving the positional information of visual embeddings through the pool-adapter is particularly beneficial for tasks like visual grounding. We name our proposed approach InfMLLM and have evaluated it extensively on various benchmark datasets. Our results demonstrate that InfMLLM achieves either state-of-the-art (SOTA) performance or performance comparable to recent MLLMs. The code and model will be made open-source at: \url{https://github.com/mightyzau/InfMLLM}.

Langzhang Liang, Zenglin Xu, Zixing Song et al.

Graph Neural Networks (GNNs) have attracted much attention due to their ability in learning representations from graph-structured data. Despite the successful applications of GNNs in many domains, the optimization of GNNs is less well studied, and the performance on node classification heavily suffers from the long-tailed node degree distribution. This paper focuses on improving the performance of GNNs via normalization. In detail, by studying the long-tailed distribution of node degrees in the graph, we propose a novel normalization method for GNNs, which is termed ResNorm (\textbf{Res}haping the long-tailed distribution into a normal-like distribution via \textbf{norm}alization). The $scale$ operation of ResNorm reshapes the node-wise standard deviation (NStd) distribution so as to improve the accuracy of tail nodes (\textit{i}.\textit{e}., low-degree nodes). We provide a theoretical interpretation and empirical evidence for understanding the mechanism of the above $scale$. In addition to the long-tailed distribution issue, over-smoothing is also a fundamental issue plaguing the community. To this end, we analyze the behavior of the standard shift and prove that the standard shift serves as a preconditioner on the weight matrix, increasing the risk of over-smoothing. With the over-smoothing issue in mind, we design a $shift$ operation for ResNorm that simulates the degree-specific parameter strategy in a low-cost manner. Extensive experiments have validated the effectiveness of ResNorm on several node classification benchmark datasets.

Chen Jiang, Hong Liu, Xuzheng Yu et al.

In recent years, the explosion of web videos makes text-video retrieval increasingly essential and popular for video filtering, recommendation, and search. Text-video retrieval aims to rank relevant text/video higher than irrelevant ones. The core of this task is to precisely measure the cross-modal similarity between texts and videos. Recently, contrastive learning methods have shown promising results for text-video retrieval, most of which focus on the construction of positive and negative pairs to learn text and video representations. Nevertheless, they do not pay enough attention to hard negative pairs and lack the ability to model different levels of semantic similarity. To address these two issues, this paper improves contrastive learning using two novel techniques. First, to exploit hard examples for robust discriminative power, we propose a novel Dual-Modal Attention-Enhanced Module (DMAE) to mine hard negative pairs from textual and visual clues. By further introducing a Negative-aware InfoNCE (NegNCE) loss, we are able to adaptively identify all these hard negatives and explicitly highlight their impacts in the training loss. Second, our work argues that triplet samples can better model fine-grained semantic similarity compared to pairwise samples. We thereby present a new Triplet Partial Margin Contrastive Learning (TPM-CL) module to construct partial order triplet samples by automatically generating fine-grained hard negatives for matched text-video pairs. The proposed TPM-CL designs an adaptive token masking strategy with cross-modal interaction to model subtle semantic differences. Extensive experiments demonstrate that the proposed approach outperforms existing methods on four widely-used text-video retrieval datasets, including MSR-VTT, MSVD, DiDeMo and ActivityNet.

Qi Si, Penglei Wang, Yushuai Wu et al.

Predicting spatial gene expression from routine H\&E enables large-scale molecular profiling, yet current models treat this as isolated pointwise tasks, thereby overlooking essential biological structures like gene coordination and spatial distribution. To preserve these relationships, we introduce \textbf{FLAG}, a diffusion-based framework that redefines this task as structured distribution modeling. At the same time, we identify the critical \textbf{Gene Dimension Curse}, where joint modeling gene expression and their spatial interactions fail in high-dimensional spaces, and FLAG solves this challenge by integrating a spatial graph encoder for topological consistency and utilizing Gene Foundation Model (GFM) alignment for gene-gene fidelity in the generation process. To rigorously assess model performance, we propose a set of novel structural evaluation metrics, including Gene Structural Correlation (\textbf{GSC}) and Spatial Structural Correlation (\textbf{SSC}). Our experiments demonstrate that FLAG is highly competitive in traditional accuracy (PCC/MSE) while achieving significantly enhanced structural fidelity in capturing both gene-gene and gene-spatial relationships. The code is available at https://github.com/darkflash03/FLAG.

Xiuyu Sun, Xiaohui Zhong, Xiaoze Xu et al.

Weather forecasting traditionally relies on numerical weather prediction (NWP) systems that integrates global observational systems, data assimilation (DA), and forecasting models. Despite steady improvements in forecast accuracy over recent decades, further advances are increasingly constrained by high computational costs, the underutilization of vast observational datasets, and the challenges of obtaining finer resolution. These limitations, alongside the uneven distribution of observational networks, result in global disparities in forecast accuracy, leaving some regions vulnerable to extreme weather. Recent advances in machine learning present a promising alternative, providing more efficient and accurate forecasts using the same initial conditions as NWP. However, current machine learning models still depend on the initial conditions generated by NWP systems, which require extensive computational resources and expertise. Here we introduce FuXi Weather, a machine learning weather forecasting system that assimilates data from multiple satellites. Operating on a 6-hourly DA and forecast cycle, FuXi Weather generates reliable and accurate 10-day global weather forecasts at a spatial resolution of $0.25^\circ$. FuXi Weather is the first system to achieve all-grid, all-surface, all-channel, and all-sky DA and forecasting, extending skillful forecast lead times beyond those of the European Centre for Medium-range Weather Forecasts (ECMWF) high-resolution forecasts (HRES) while using significantly fewer observations. FuXi Weather consistently outperforms ECMWF HRES in observation-sparse regions, such as central Africa, demonstrating its potential to improve forecasts where observational infrastructure is limited.

Yaofei Wang, Rui Wang, Weilong Pang et al.

Generative linguistic steganography (GLS) enables covert communication by embedding secret messages into the natural language generation process. In practical deployment, however, GLS is vulnerable to tokenization ambiguity: the same surface text may be re-tokenized into a different token sequence at the receiver, breaking the shared decoding state between the communicating parties so that a single local mismatch can propagate into complete extraction failure. Existing solutions either remove ambiguous tokens -- distorting the generation distribution and compromising security -- or preserve the distribution at the cost of substantially reduced embedding capacity or prohibitive runtime overhead. To address this issue, we propose ReTokSync (Re-Tokenization Synchronization), a self-synchronizing disambiguation framework that monitors the receiver-view tokenization during generation and triggers a corrective reset only when ambiguity actually occurs. By confining the effect of tokenization ambiguity to sparse residual bit errors rather than global desynchronization, ReTokSync leaves ambiguity-free positions entirely untouched and remains compatible with the underlying steganographic algorithm. Experiments on both English and Chinese settings show that ReTokSync stays closest to the steganographic baseline in distributional security (zero KL divergence), text quality, embedding capacity, and runtime, while achieving extraction accuracy above 99.7\%. Building on this property, we further develop a two-channel covert communication mechanism in which ReTokSync serves as the primary channel and a reliable auxiliary channel corrects the remaining errors, achieving 100\% end-to-end recovery across all evaluated configurations.

Zihao Ye, Yung Hsiang Lu, Xiao Hu et al.

The IEEE Low-Power Computer Vision Challenge (LPCVC) aims to promote the development of efficient vision models for edge devices, balancing accuracy with constraints such as latency, memory capacity, and energy use. The 2025 challenge featured three tracks: (1) Image classification under various lighting conditions and styles, (2) Open-Vocabulary Segmentation with Text Prompt, and (3) Monocular Depth Estimation. This paper presents the design of LPCVC 2025, including its competition structure and evaluation framework, which integrates the Qualcomm AI Hub for consistent and reproducible benchmarking. The paper also introduces the top-performing solutions from each track and outlines key trends and observations. The paper concludes with suggestions for future computer vision competitions.

Shaojie Shi, Zhengyu Shi, Lingran Zheng et al.

Causal inference in social science relies on end-to-end, intervention-centered research-design reasoning grounded in real-world policy interventions, but current benchmarks fail to evaluate this capability of large language models (LLMs). We present InterveneBench, a benchmark designed to assess such reasoning in realistic social settings. Each instance in InterveneBench is derived from an empirical social science study and requires models to reason about policy interventions and identification assumptions without access to predefined causal graphs or structural equations. InterveneBench comprises 744 peer-reviewed studies across diverse policy domains. Experimental results show that state-of-the-art LLMs struggle under this setting. To address this limitation, we further propose a multi-agent framework, STRIDES. It achieves significant performance improvements over state-of-the-art reasoning models. Our code and data are available at https://github.com/Sii-yuning/STRIDES.

Xiaohui Zhong, Lei Chen, Jun Liu et al.

Significant advancements in the development of machine learning (ML) models for weather forecasting have produced remarkable results. State-of-the-art ML-based weather forecast models, such as FuXi, have demonstrated superior statistical forecast performance in comparison to the high-resolution forecasts (HRES) of the European Centre for Medium-Range Weather Forecasts (ECMWF). However, ML models face a common challenge: as forecast lead times increase, they tend to generate increasingly smooth predictions, leading to an underestimation of the intensity of extreme weather events. To address this challenge, we developed the FuXi-Extreme model, which employs a denoising diffusion probabilistic model (DDPM) to restore finer-scale details in the surface forecast data generated by the FuXi model in 5-day forecasts. An evaluation of extreme total precipitation ($\textrm{TP}$), 10-meter wind speed ($\textrm{WS10}$), and 2-meter temperature ($\textrm{T2M}$) illustrates the superior performance of FuXi-Extreme over both FuXi and HRES. Moreover, when evaluating tropical cyclone (TC) forecasts based on International Best Track Archive for Climate Stewardship (IBTrACS) dataset, both FuXi and FuXi-Extreme shows superior performance in TC track forecasts compared to HRES, but they show inferior performance in TC intensity forecasts in comparison to HRES.

Xiaowu Dai, Wenlu Xu, Yuan Qi et al.

Online platforms in the Internet Economy commonly incorporate recommender systems that recommend products (or "arms") to users (or "agents"). A key challenge in this domain arises from myopic agents who are naturally incentivized to exploit by choosing the optimal arm based on current information, rather than exploring various alternatives to gather information that benefits the collective. We propose a novel recommender system that aligns with agents' incentives while achieving asymptotically optimal performance, as measured by regret in repeated interactions. Our framework models this incentive-aware system as a multi-agent bandit problem in two-sided markets, where the interactions of agents and arms are facilitated by recommender systems on online platforms. This model incorporates incentive constraints induced by agents' opportunity costs. In scenarios where opportunity costs are known to the platform, we show the existence of an incentive-compatible recommendation algorithm. This algorithm pools recommendations between a genuinely good arm and an unknown arm using a randomized and adaptive strategy. Moreover, when these opportunity costs are unknown, we introduce an algorithm that randomly pools recommendations across all arms, utilizing the cumulative loss from each arm as feedback for strategic exploration. We demonstrate that both algorithms satisfy an ex-post fairness criterion, which protects agents from over-exploitation. All code for using the proposed algorithms and reproducing results is made available on GitHub.

Xiaoyu Tan, Yongxin Deng, Xihe Qiu et al.

Large language models (LLMs) have shown exceptional performance as general-purpose assistants, excelling across a variety of reasoning tasks. This achievement represents a significant step toward achieving artificial general intelligence (AGI). Despite these advancements, the effectiveness of LLMs often hinges on the specific prompting strategies employed, and there remains a lack of a robust framework to facilitate learning and generalization across diverse reasoning tasks. To address these challenges, we introduce a novel learning framework, THOUGHT-LIKE-PRO In this framework, we utilize imitation learning to imitate the Chain-of-Thought (CoT) process which is verified and translated from reasoning trajectories generated by a symbolic Prolog logic engine. This framework proceeds in a self-driven manner, that enables LLMs to formulate rules and statements from given instructions and leverage the symbolic Prolog engine to derive results. Subsequently, LLMs convert Prolog-derived successive reasoning trajectories into natural language CoT for imitation learning. Our empirical findings indicate that our proposed approach substantially enhances the reasoning abilities of LLMs and demonstrates robust generalization across out-of-distribution reasoning tasks.

Xihe Qiu, Haoyu Wang, Xiaoyu Tan et al.

Effective collaboration in multi-agent systems requires communicating goals and intentions between agents. Current agent frameworks often suffer from dependencies on single-agent execution and lack robust inter-module communication, frequently leading to suboptimal multi-agent reinforcement learning (MARL) policies and inadequate task coordination. To address these challenges, we present a framework for training large language models (LLMs) as collaborative agents to enable coordinated behaviors in cooperative MARL. Each agent maintains a private intention consisting of its current goal and associated sub-tasks. Agents broadcast their intentions periodically, allowing other agents to infer coordination tasks. A propagation network transforms broadcast intentions into teammate-specific communication messages, sharing relevant goals with designated teammates. The architecture of our framework is structured into planning, grounding, and execution modules. During execution, multiple agents interact in a downstream environment and communicate intentions to enable coordinated behaviors. The grounding module dynamically adapts comprehension strategies based on emerging coordination patterns, while feedback from execution agents influnces the planning module, enabling the dynamic re-planning of sub-tasks. Results in collaborative environment simulation demonstrate intention propagation reduces miscoordination errors by aligning sub-task dependencies between agents. Agents learn when to communicate intentions and which teammates require task details, resulting in emergent coordinated behaviors. This demonstrates the efficacy of intention sharing for cooperative multi-agent RL based on LLMs.

Xiaoyu Tan, Haoyu Wang, Xihe Qiu et al.

Structured data, rich in logical and relational information, has the potential to enhance the reasoning abilities of large language models (LLMs). Still, its integration poses a challenge due to the risk of overwhelming LLMs with excessive tokens and irrelevant context information. To address this, we propose Struct-X, a novel framework that operates through five key phases: ``read-model-fill-reflect-reason'' efficiently enabling LLMs to utilize structured data. It begins by encoding structured data into a topological space using graph embeddings, followed by filling in missing entity information with knowledge retrieval modules, and filtering out irrelevant tokens via a self-supervised module. The final phase involves constructing a topological network with selected tokens to further reduce the total token length for more effective LLM inference. Additionally, Struct-X includes an Auxiliary Module trained to generate prompts, aiding LLMs in analyzing structured data. Extensive experiments on benchmarks, including the knowledge graph question-answer task and the long document reading comprehension task, show that Struct-X notably improves LLM reasoning, demonstrating the effectiveness of structured data augmentation in improving LLM inference with complex input context.

Junyi An, Xinyu Lu, Yun-Fei Shi et al.

We introduce Suiren-1.0, a family of molecular foundation models for the accurate modeling of diverse organic systems. Suiren-1.0 comprising three specialized variants (Suiren-Base, Suiren-Dimer, and Suiren-ConfAvg) is integrated within an algorithmic framework that bridges the gap between 3D conformational geometry and 2D statistical ensemble spaces. We first pre-train Suiren-Base (1.8B parameters) on a 70M-sample Density Functional Theory dataset using spatial self-supervision and SE(3)-equivariant architectures, achieving robust performance in quantum property prediction. Suiren-Dimer extends this capability through continued pre-training on 13.5M intermolecular interaction samples. To enable efficient downstream application, we propose Conformation Compression Distillation (CCD), a diffusion-based framework that distills complex 3D structural representations into 2D conformation-averaged representations. This yields the lightweight Suiren-ConfAvg, which generates high-fidelity representations from SMILES or molecular graphs. Our extensive evaluations demonstrate that Suiren-1.0 establishes state-of-the-art results across a range of tasks. All models and benchmarks are open-sourced.

Yuchen Liu, Wenbo Zhang, Liling Peng et al.

PET/CT imaging is pivotal in oncology and nuclear medicine, yet summarizing complex findings into precise diagnostic impressions is labor-intensive. While LLMs have shown promise in medical text generation, their capability in the highly specialized domain of PET/CT remains underexplored. We introduce PET-F2I-41K (PET Findings-to-Impression Benchmark), a large-scale benchmark for PET/CT impression generation using LLMs, constructed from over 41k real-world reports. Using PET-F2I-41K, we conduct a comprehensive evaluation of 27 models across proprietary frontier LLMs, open-source generalist models, and medical-domain LLMs, and we develop a domain-adapted 7B model (PET-F2I-7B) fine-tuned from Qwen2.5-7B-Instruct via LoRA. Beyond standard NLG metrics (e.g., BLEU-4, ROUGE-L, BERTScore), we propose three clinically grounded metrics - Entity Coverage Rate (ECR), Uncovered Entity Rate (UER), and Factual Consistency Rate (FCR) - to assess diagnostic completeness and factual reliability. Experiments reveal that neither frontier nor medical-domain LLMs perform adequately in zero-shot settings. In contrast, PET-F2I-7B achieves substantial gains (e.g., 0.708 BLEU-4) and a 3.0x improvement in entity coverage over the strongest baseline, while offering advantages in cost, latency, and privacy. Beyond this modeling contribution, PET-F2I-41K establishes a standardized evaluation framework to accelerate the development of reliable and clinically deployable reporting systems for PET/CT.

Yichi Zhang, Shiyao Hu, Sijie Ren et al.

The Segment Anything Model (SAM) has recently emerged as a groundbreaking foundation model for prompt-driven image segmentation tasks. However, both the original SAM and its medical variants require slice-by-slice manual prompting of target structures, which directly increase the burden for applications. Despite attempts of auto-prompting to turn SAM into a fully automatic manner, it still exhibits subpar performance and lacks of reliability especially in the field of medical imaging. In this paper, we propose UR-SAM, an uncertainty rectified SAM framework to enhance the reliability for auto-prompting medical image segmentation. Building upon a localization framework for automatic prompt generation, our method incorporates a prompt augmentation module to obtain a series of input prompts for SAM for uncertainty estimation and an uncertainty-based rectification module to further utilize the distribution of estimated uncertainty to improve the segmentation performance. Extensive experiments on two public 3D medical datasets covering the segmentation of 35 organs demonstrate that without supplementary training or fine-tuning, our method further improves the segmentation performance with up to 10.7 % and 13.8 % in dice similarity coefficient, demonstrating efficiency and broad capabilities for medical image segmentation without manual prompting.

Yongxin Deng, Xihe Qiu, Xiaoyu Tan et al.

Large language models (LLMs) are trained on extensive text corpora, which inevitably include biased information. Although techniques such as Affective Alignment can mitigate some negative impacts of these biases, existing prompt-based attack methods can still extract these biases from the model's weights. Moreover, these biases frequently appear subtly when LLMs are prompted to perform identical tasks across different demographic groups, thereby camouflaging their presence. To address this issue, we have formally defined the implicit bias problem and developed an innovative framework for bias removal based on Bayesian theory, Bayesian-Theory based Bias Removal (BTBR). BTBR employs likelihood ratio screening to pinpoint data entries within publicly accessible biased datasets that represent biases inadvertently incorporated during the LLM training phase. It then automatically constructs relevant knowledge triples and expunges bias information from LLMs using model editing techniques. Through extensive experimentation, we have confirmed the presence of the implicit bias problem in LLMs and demonstrated the effectiveness of our BTBR approach.

Dakuan Lu, Xiaoyu Tan, Rui Xu et al.

Recent breakthroughs in large language models (LLMs) exemplified by the impressive mathematical and scientific reasoning capabilities of the o1 model have spotlighted the critical importance of high-quality training data in advancing LLM performance across STEM disciplines. While the mathematics community has benefited from a growing body of curated datasets, the scientific domain at the higher education level has long suffered from a scarcity of comparable resources. To address this gap, we present SCP-116K, a new large-scale dataset of 116,756 high-quality problem-solution pairs, automatically extracted from heterogeneous sources using a streamlined and highly generalizable pipeline. Our approach involves stringent filtering to ensure the scientific rigor and educational level of the extracted materials, while maintaining adaptability for future expansions or domain transfers. By openly releasing both the dataset and the extraction pipeline, we seek to foster research on scientific reasoning, enable comprehensive performance evaluations of new LLMs, and lower the barrier to replicating the successes of advanced models like o1 in the broader science community. We believe SCP-116K will serve as a critical resource, catalyzing progress in high-level scientific reasoning tasks and promoting further innovations in LLM development. The dataset and code are publicly available at https://github.com/AQA6666/SCP-116K-open.

Long Li, Zhijian Zhou, Tianyi Wang et al.

While Reinforcement Learning (RL) enhances Large Language Model reasoning, on-policy algorithms like GRPO are sample-inefficient as they discard past rollouts. Existing experience replay methods address this by reusing accurate samples for direct policy updates, but this often incurs high computational costs and causes mode collapse via overfitting. We argue that historical data should prioritize sustaining diversity rather than simply reinforcing accuracy. To this end, we propose Dynamic Jensen-Shannon Replay (DyJR), a simple yet effective regularization framework using a dynamic reference distribution from recent trajectories. DyJR introduces two innovations: (1) A Time-Sensitive Dynamic Buffer that uses FIFO and adaptive sizing to retain only temporally proximal samples, synchronizing with model evolution; and (2) Jensen-Shannon Divergence Regularization, which replaces direct gradient updates with a distributional constraint to prevent diversity collapse. Experiments on mathematical reasoning and Text-to-SQL benchmarks demonstrate that DyJR significantly outperforms GRPO as well as baselines such as RLEP and Ex-GRPO, while maintaining training efficiency comparable to the original GRPO. Furthermore, from the perspective of Rank-$k$ token probability evolution, we show that DyJR enhances diversity and mitigates over-reliance on Rank-1 tokens, elucidating how specific sub-modules of DyJR influence the training dynamics.

Xiaoyu Tan, Tianchu Yao, Chao Qu et al.

The reasoning capabilities of advanced large language models (LLMs) like o1 have revolutionized artificial intelligence applications. Nevertheless, evaluating and optimizing complex reasoning processes remain significant challenges due to diverse policy distributions and the inherent limitations of human effort and accuracy. In this paper, we present AURORA, a novel automated framework for training universal process reward models (PRMs) using ensemble prompting and reverse verification. The framework employs a two-phase approach: First, it uses diverse prompting strategies and ensemble methods to perform automated annotation and evaluation of processes, ensuring robust assessments for reward learning. Second, it leverages practical reference answers for reverse verification, enhancing the model's ability to validate outputs and improving training accuracy. To assess the framework's performance, we extend beyond the existing ProcessBench benchmark by introducing UniversalBench, which evaluates reward predictions across full trajectories under diverse policy distribtion with long Chain-of-Thought (CoT) outputs. Experimental results demonstrate that AURORA enhances process evaluation accuracy, improves PRMs' accuracy for diverse policy distributions and long-CoT responses. The project will be open-sourced at https://auroraprm.github.io/. The Universal-PRM-7B is available at https://huggingface.co/infly/Universal-PRM-7B.

Yinghao Ai, Yukai Zhou, Ruoxi Jiang et al.

Spatiotemporal forecasting is critical for real-world applications like traffic management, yet capturing reliable interactions remains challenging under noisy and non-stationary conditions. Existing methods primarily rely on historical spatial priors, often failing to account for evolving temporal correlations and suffering from systematic errors. In this work, we propose a nested forecasting framework that couples future macro-level regional trends with micro-level historical observations, enabling top-down guidance from abstract future representations for fine-grained forecasting. Specifically, we employ a spectral clustering-based approach to construct semantically coherent regions, providing both theoretical and empirical evidence that this representation effectively filters systematic noise while preserving essential trends. Building on this, we develop a progressive coarse-to-fine predictor to integrate these representative features into the inference process. This enables the model to leverage trend predictions to anticipate dynamic anomalies, such as periodic offsets, in advance. Furthermore, extensive experiments on multiple high-dimensional datasets demonstrate that our method consistently outperforms state-of-the-art baselines, validating the effectiveness of future macro-guided nested forecasting.

Ce Liu, Jun Wang, Zhiqiang Cai et al.

Despite significant progress in static protein structure collection and prediction, the dynamic behavior of proteins, one of their most vital characteristics, has been largely overlooked in prior research. This oversight can be attributed to the limited availability, diversity, and heterogeneity of dynamic protein datasets. To address this gap, we propose to enhance existing prestigious static 3D protein structural databases, such as the Protein Data Bank (PDB), by integrating dynamic data and additional physical properties. Specifically, we introduce a large-scale dataset, Dynamic PDB, encompassing approximately 12.6K proteins, each subjected to all-atom molecular dynamics (MD) simulations lasting 1 microsecond to capture conformational changes. Furthermore, we provide a comprehensive suite of physical properties, including atomic velocities and forces, potential and kinetic energies of proteins, and the temperature of the simulation environment, recorded at 1 picosecond intervals throughout the simulations. For benchmarking purposes, we evaluate state-of-the-art methods on the proposed dataset for the task of trajectory prediction. To demonstrate the value of integrating richer physical properties in the study of protein dynamics and related model design, we base our approach on the SE(3) diffusion model and incorporate these physical properties into the trajectory prediction process. Preliminary results indicate that this straightforward extension of the SE(3) model yields improved accuracy, as measured by MAE and RMSD, when the proposed physical properties are taken into consideration. https://fudan-generative-vision.github.io/dynamicPDB/ .

Yukun Zhang, Guanzhong Chen, Zenglin Xu et al.

Cardiovascular diseases (CVDs) are currently the leading cause of death worldwide, highlighting the critical need for early diagnosis and treatment. Machine learning (ML) methods can help diagnose CVDs early, but their performance relies on access to substantial data with high quality. However, the sensitive nature of healthcare data often restricts individual clinical institutions from sharing data to train sufficiently generalized and unbiased ML models. Federated Learning (FL) is an emerging approach, which offers a promising solution by enabling collaborative model training across multiple participants without compromising the privacy of the individual data owners. However, to the best of our knowledge, there has been limited prior research applying FL to the cardiovascular disease domain. Moreover, existing FL benchmarks and datasets are typically simulated and may fall short of replicating the complexity of natural heterogeneity found in realistic datasets that challenges current FL algorithms. To address these gaps, this paper presents the first real-world FL benchmark for cardiovascular disease detection, named FedCVD. This benchmark comprises two major tasks: electrocardiogram (ECG) classification and echocardiogram (ECHO) segmentation, based on naturally scattered datasets constructed from the CVD data of seven institutions. Our extensive experiments on these datasets reveal that FL faces new challenges with real-world non-IID and long-tail data. The code and datasets of FedCVD are available https://github.com/SMILELab-FL/FedCVD.

Xin Pang, Zhucong Li, Jiaxiang Chen et al.

We introduce AI2Apps, a Visual Integrated Development Environment (Visual IDE) with full-cycle capabilities that accelerates developers to build deployable LLM-based AI agent Applications. This Visual IDE prioritizes both the Integrity of its development tools and the Visuality of its components, ensuring a smooth and efficient building experience.On one hand, AI2Apps integrates a comprehensive development toolkit ranging from a prototyping canvas and AI-assisted code editor to agent debugger, management system, and deployment tools all within a web-based graphical user interface. On the other hand, AI2Apps visualizes reusable front-end and back-end code as intuitive drag-and-drop components. Furthermore, a plugin system named AI2Apps Extension (AAE) is designed for Extensibility, showcasing how a new plugin with 20 components enables web agent to mimic human-like browsing behavior. Our case study demonstrates substantial efficiency improvements, with AI2Apps reducing token consumption and API calls when debugging a specific sophisticated multimodal agent by approximately 90% and 80%, respectively. The AI2Apps, including an online demo, open-source code, and a screencast video, is now publicly accessible.

Xigui Li, Hongwei Zhang, Ruoxi Jiang et al.

Learning-based models for fluid dynamics often operate in unconstrained function spaces, leading to physically inadmissible, unstable simulations. While penalty-based methods offer soft regularization, they provide no structural guarantees, resulting in spurious divergence and long-term collapse. In this work, we introduce a unified framework that enforces the incompressible continuity equation as a hard, intrinsic constraint for both deterministic and generative modeling. First, to project deterministic models onto the divergence-free subspace, we integrate a differentiable spectral Leray projection grounded in the Helmholtz-Hodge decomposition, which restricts the regression hypothesis space to physically admissible velocity fields. Second, to generate physically consistent distributions, we show that simply projecting model outputs is insufficient when the prior is incompatible. To address this, we construct a divergence-free Gaussian reference measure via a curl-based pushforward, ensuring the entire probability flow remains subspace-consistent by construction. Experiments on 2D Navier-Stokes equations demonstrate exact incompressibility up to discretization error and substantially improved stability and physical consistency.

Baode Wang, Biao Wu, Weizhen Li et al.

Document parsing from scanned images into structured formats remains a significant challenge due to its complexly intertwined elements such as text paragraphs, figures, formulas, and tables. Existing supervised fine-tuning methods often struggle to generalize across diverse document types, leading to poor performance, particularly on out-of-distribution data. This issue is further exacerbated by the limited availability of high-quality training data for layout-aware parsing tasks. To address these challenges, we introduce LayoutRL, a reinforcement learning framework that optimizes layout understanding through composite rewards integrating normalized edit distance, paragraph count accuracy, and reading order preservation. To support this training, we construct the Infinity-Doc-400K dataset, which we use to train Infinity-Parser, a vision-language model demonstrating robust generalization across various domains. Extensive evaluations on benchmarks including OmniDocBench, olmOCR-Bench, PubTabNet, and FinTabNet show that Infinity-Parser consistently achieves state-of-the-art performance across a broad range of document types, languages, and structural complexities, substantially outperforming both specialized document parsing systems and general-purpose vision-language models. We will release our code, dataset, and model to facilitate reproducible research in document parsing.

Baode Wang, Biao Wu, Weizhen Li et al.

Automated parsing of scanned documents into richly structured, machine-readable formats remains a critical bottleneck in Document AI, as traditional multi-stage pipelines suffer from error propagation and limited adaptability to diverse layouts. We introduce layoutRL, an end-to-end reinforcement learning framework that trains models to be explicitly layout-aware by optimizing a composite reward of normalized edit distance, paragraph count accuracy, and reading order preservation. Leveraging our newly released dataset, Infinity-Doc-55K, which combines 55K high-fidelity synthetic scanned document parsing data with expert-filtered real-world documents, we instantiate layoutRL in a vision-language-model-based parser called Infinity-Parser. Evaluated on English and Chinese benchmarks for OCR, table and formula extraction, and reading order detection, Infinity-Parser achieves new state-of-the-art performance in both accuracy and structural fidelity, outpacing specialist pipelines and general-purpose vision-language models. We will publicly release our code and dataset to accelerate progress in robust document understanding.

Imagen-Team-Google, Jason Baldridge, Jakob Bauer et al.

We introduce Imagen 3, a latent diffusion model that generates high quality images from text prompts. We describe our quality and responsibility evaluations. Imagen 3 is preferred over other state-of-the-art (SOTA) models at the time of evaluation. In addition, we discuss issues around safety and representation, as well as methods we used to minimize the potential harm of our models.

Yichi Zhang, Le Xue, Wenbo Zhang et al.

Positron emission tomography (PET) is a key nuclear medicine imaging modality that visualizes radiotracer distributions to quantify in vivo physiological and metabolic processes, playing an irreplaceable role in disease management. Despite its clinical importance, the development of deep learning models for quantitative PET image analysis remains severely limited, driven by both the inherent segmentation challenge from PET's paucity of anatomical contrast and the high costs of data acquisition and annotation. To bridge this gap, we develop generalist foundational models for universal segmentation from 3D whole-body PET imaging. We first build the largest and most comprehensive PET dataset to date, comprising 11041 3D whole-body PET scans with 59831 segmentation masks for model development. Based on this dataset, we present SegAnyPET, an innovative foundational model with general-purpose applicability to diverse segmentation tasks. Built on a 3D architecture with a prompt engineering strategy for mask generation, SegAnyPET enables universal and scalable organ and lesion segmentation, supports efficient human correction with minimal effort, and enables a clinical human-in-the-loop workflow. Extensive evaluations on multi-center, multi-tracer, multi-disease datasets demonstrate that SegAnyPET achieves strong zero-shot performance across a wide range of segmentation tasks, highlighting its potential to advance the clinical applications of molecular imaging.

Xinyu Xiao, Sen Lei, Eryun Liu et al.

Precipitation nowcasting is vital for flood warning, agricultural management, and emergency response, yet two bottlenecks persist: the prohibitive cost of modeling million-scale spatiotemporal tokens from multi-variate atmospheric fields, and the extreme long-tailed rainfall distribution where heavy-to-torrential events -- those of greatest societal impact -- constitute fewer than 0.1% of all samples. We propose the Precipitation-Adaptive Network (PA-Net), a Transformer framework whose computational budget is explicitly governed by rainfall intensity. Its core component, Precipitation-Adaptive MoE (PA-MoE), dynamically scales the number of activated experts per token according to local precipitation magnitude, channeling richer representational capacity toward the rare yet critical heavy-rainfall tail. A Dual-Axis Compressed Latent Attention mechanism factorizes spatiotemporal attention with convolutional reduction to manage massive context lengths, while an intensity-aware training protocol progressively amplifies learning signals from extreme-rainfall samples. Experiment on ERA5 demonstrate consistent improvements over state-of-the-art baselines, with particularly significant gains in heavy-rain and rainstorm regimes.

Kuan Lu, Shuhang Lin, Sai Wu et al.

Large language models (LLMs) are increasingly applied in long-context scenarios such as multi-turn conversations. However, long contexts pose significant challenges for inference efficiency, including high memory overhead from Key-Value (KV) cache and increased latency due to excessive memory accesses. Recent methods for dynamic KV selection struggle with trade-offs: block-level indexing degrades accuracy by retrieving irrelevant KV entries, while token-level indexing incurs high latency from inefficient retrieval mechanisms. In this paper, we propose CTKVR, a novel centroid-then-token KV retrieval scheme that addresses these limitations. CTKVR leverages a key observation: query vectors adjacent in position exhibit high similarity after Rotary Position Embedding (RoPE) and share most of their top-k KV cache entries. Based on this insight, CTKVR employs a two-stage retrieval strategy: lightweight centroids are precomputed during prefilling for centroid-grained indexing, followed by token-level refinement for precise KV retrieval. This approach balances retrieval efficiency and accuracy. To further enhance performance, we implement an optimized system for indexing construction and search using CPU-GPU co-execution. Experimentally, CTKVR achieves superior performance across multiple benchmarks with less than 1% accuracy degradation. Meanwhile, CTKVR delivers 3 times and 4 times throughput speedups on Llama-3-8B and Yi-9B at 96K context length across diverse GPU hardware.

Jiaxiang Chen, Song Wang, Zhucong Li et al.

Currently, prompting techniques can be mainly divided into two categories:1)shot method implicitly inspires the model to answer the question by mimicing the steps in the given example, e.g., the few-shot CoT. 2) Guideline method explicitly instructs the model to reason by following guidelines, which contains succinct and concise task-specific knowledge. Shot method is prone to difficulties in terms of selection of shots type, the number of shots, and the design of the reasoning steps, so a question arises: can we only use guideline instead of shot in the prompt? To this end, we propose the FGT framework to automatically learn task-specific guidelines from dataset consisting of Feedback, Guideline, and Tree-gather agents. First, the feedback agent is designed to evaluate the outcomes, both right and wrong, of each Q&A to gather insights guiding more effective optimization strategies. Next, the guideline agent is tasked with deriving guidelines from each piece of feedback and storing them in local memory. Lastly, the tree-gather agent aggregates all guidelines hierarchically through a tree structure, ultimately obtaining all unduplicated guidelines from a global perspective. In addition, we induce the model to generate intermediate processes to ensure the reasoning consistent with the guidelines. Experimental results demonstrate that our approach achieves superior performance across multiple tasks, thereby highlighting the effectiveness of using the guidelines in prompt.

Kaihui Cheng, Ce Liu, Qingkun Su et al.

Protein structure prediction is pivotal for understanding the structure-function relationship of proteins, advancing biological research, and facilitating pharmaceutical development and experimental design. While deep learning methods and the expanded availability of experimental 3D protein structures have accelerated structure prediction, the dynamic nature of protein structures has received limited attention. This study introduces an innovative 4D diffusion model incorporating molecular dynamics (MD) simulation data to learn dynamic protein structures. Our approach is distinguished by the following components: (1) a unified diffusion model capable of generating dynamic protein structures, including both the backbone and side chains, utilizing atomic grouping and side-chain dihedral angle predictions; (2) a reference network that enhances structural consistency by integrating the latent embeddings of the initial 3D protein structures; and (3) a motion alignment module aimed at improving temporal structural coherence across multiple time steps. To our knowledge, this is the first diffusion-based model aimed at predicting protein trajectories across multiple time steps simultaneously. Validation on benchmark datasets demonstrates that our model exhibits high accuracy in predicting dynamic 3D structures of proteins containing up to 256 amino acids over 32 time steps, effectively capturing both local flexibility in stable states and significant conformational changes. URL: https://fudan-generative-vision.github.io/AlphaFolding/#/

Junyi An, Chao Qu, Yun-Fei Shi et al.

Graph neural networks (GNNs) have shown considerable promise in computational chemistry. However, the limited availability of molecular data raises concerns regarding GNNs' ability to effectively capture the fundamental principles of physics and chemistry, which constrains their generalization capabilities. To address this challenge, we introduce a novel self-supervised approach termed Equivariant Masked Position Prediction (EMPP), grounded in intramolecular potential and force theory. Unlike conventional attribute masking techniques, EMPP formulates a nuanced position prediction task that is more well-defined and enhances the learning of quantum mechanical features. EMPP also bypasses the approximation of the Gaussian mixture distribution commonly used in denoising methods, allowing for more accurate acquisition of physical properties. Experimental results indicate that EMPP significantly enhances performance of advanced molecular architectures, surpassing state-of-the-art self-supervised approaches. Our code is released in https://github.com/ajy112/EMPP

Xigui Li, Yuanye Zhou, Feiyang Xiao et al.

Intracranial aneurysm (IA) is a common cerebrovascular disease that is usually asymptomatic but may cause severe subarachnoid hemorrhage (SAH) if ruptured. Although clinical practice is usually based on individual factors and morphological features of the aneurysm, its pathophysiology and hemodynamic mechanisms remain controversial. To address the limitations of current research, this study constructed a comprehensive hemodynamic dataset of intracranial aneurysms. The dataset is based on 466 real aneurysm models, and 10,000 synthetic models were generated by resection and deformation operations, including 466 aneurysm-free models and 9,534 deformed aneurysm models. The dataset also provides medical image-like segmentation mask files to support insightful analysis. In addition, the dataset contains hemodynamic data measured at eight steady-state flow rates (0.001 to 0.004 kg/s), including critical parameters such as flow velocity, pressure, and wall shear stress, providing a valuable resource for investigating aneurysm pathogenesis and clinical prediction. This dataset will help advance the understanding of the pathologic features and hemodynamic mechanisms of intracranial aneurysms and support in-depth research in related fields. Dataset hosted at https://github.com/Xigui-Li/Aneumo.

Zihang Zeng, Jiaquan Zhang, Pengze Li et al.

Large Language Models (LLMs) demonstrate potentials for automating scientific code generation but face challenges in reliability, error propagation in multi-agent workflows, and evaluation in domains with ill-defined success metrics. We present a Bayesian adversarial multi-agent framework specifically designed for AI for Science (AI4S) tasks in the form of a Low-code Platform (LCP). Three LLM-based agents are coordinated under the Bayesian framework: a Task Manager that structures user inputs into actionable plans and adaptive test cases, a Code Generator that produces candidate solutions, and an Evaluator providing comprehensive feedback. The framework employs an adversarial loop where the Task Manager iteratively refines test cases to challenge the Code Generator, while prompt distributions are dynamically updated using Bayesian principles by integrating code quality metrics: functional correctness, structural alignment, and static analysis. This co-optimization of tests and code reduces dependence on LLM reliability and addresses evaluation uncertainty inherent to scientific tasks. LCP also streamlines human-AI collaboration by translating non-expert prompts into domain-specific requirements, bypassing the need for manual prompt engineering by practitioners without coding backgrounds. Benchmark evaluations demonstrate LCP's effectiveness in generating robust code while minimizing error propagation. The proposed platform is also tested on an Earth Science cross-disciplinary task and demonstrates strong reliability, outperforming competing models.

Qi Si, Xuyang Liu, Penglei Wang et al.

RNA inverse folding, designing sequences to form specific 3D structures, is critical for therapeutics, gene regulation, and synthetic biology. Current methods, focused on sequence recovery, struggle to address structural objectives like secondary structure consistency (SS), minimum free energy (MFE), and local distance difference test (LDDT), leading to suboptimal structural accuracy. To tackle this, we propose a reinforcement learning (RL) framework integrated with a latent diffusion model (LDM). Drawing inspiration from the success of diffusion models in RNA inverse folding, which adeptly model complex sequence-structure interactions, we develop an LDM incorporating pre-trained RNA-FM embeddings from a large-scale RNA model. These embeddings capture co-evolutionary patterns, markedly improving sequence recovery accuracy. However, existing approaches, including diffusion-based methods, cannot effectively handle non-differentiable structural objectives. By contrast, RL excels in this task by using policy-driven reward optimization to navigate complex, non-gradient-based objectives, offering a significant advantage over traditional methods. In summary, we propose the Step-wise Optimization of Latent Diffusion Model (SOLD), a novel RL framework that optimizes single-step noise without sampling the full diffusion trajectory, achieving efficient refinement of multiple structural objectives. Experimental results demonstrate SOLD surpasses its LDM baseline and state-of-the-art methods across all metrics, establishing a robust framework for RNA inverse folding with profound implications for biotechnological and therapeutic applications.

Zhijian Zhou, Junyi An, Zongkai Liu et al.

Generating physically realistic 3D molecular structures remains a core challenge in molecular generative modeling. While diffusion models equipped with equivariant neural networks have made progress in capturing molecular geometries, they often struggle to produce equilibrium structures that adhere to physical principles such as force field consistency. To bridge this gap, we propose Reinforcement Learning with Physical Feedback (RLPF), a novel framework that extends Denoising Diffusion Policy Optimization to 3D molecular generation. RLPF formulates the task as a Markov decision process and applies proximal policy optimization to fine-tune equivariant diffusion models. Crucially, RLPF introduces reward functions derived from force-field evaluations, providing direct physical feedback to guide the generation toward energetically stable and physically meaningful structures. Experiments on the QM9 and GEOM-drug datasets demonstrate that RLPF significantly improves molecular stability compared to existing methods. These results highlight the value of incorporating physics-based feedback into generative modeling. The code is available at: https://github.com/ZhijianZhou/RLPF/tree/verl_diffusion.

Zhucong Li, Bowei Zhang, Jin Xiao et al.

Large Language Model (LLM)-based agents have demonstrated the ability to improve performance in chemistry-related tasks by selecting appropriate tools. However, their effectiveness remains limited by the inherent prediction errors of chemistry tools. In this paper, we take a step further by exploring how LLMbased agents can, in turn, be leveraged to reduce prediction errors of the tools. To this end, we propose ChemHAS (Chemical Hierarchical Agent Stacking), a simple yet effective method that enhances chemistry tools through optimizing agent-stacking structures from limited data. ChemHAS achieves state-of-the-art performance across four fundamental chemistry tasks, demonstrating that our method can effectively compensate for prediction errors of the tools. Furthermore, we identify and characterize four distinct agent-stacking behaviors, potentially improving interpretability and revealing new possibilities for AI agent applications in scientific research. Our code and dataset are publicly available at https: //anonymous.4open.science/r/ChemHAS-01E4/README.md.

Xigui Li, Yuanye Zhou, Feiyang Xiao et al.

Intracranial aneurysms (IAs) are serious cerebrovascular lesions found in approximately 5\% of the general population. Their rupture may lead to high mortality. Current methods for assessing IA risk focus on morphological and patient-specific factors, but the hemodynamic influences on IA development and rupture remain unclear. While accurate for hemodynamic studies, conventional computational fluid dynamics (CFD) methods are computationally intensive, hindering their deployment in large-scale or real-time clinical applications. To address this challenge, we curated a large-scale, high-fidelity aneurysm CFD dataset to facilitate the development of efficient machine learning algorithms for such applications. Based on 427 real aneurysm geometries, we synthesized 10,660 3D shapes via controlled deformation to simulate aneurysm evolution. The authenticity of these synthetic shapes was confirmed by neurosurgeons. CFD computations were performed on each shape under eight steady-state mass flow conditions, generating a total of 85,280 blood flow dynamics data covering key parameters. Furthermore, the dataset includes segmentation masks, which can support tasks that use images, point clouds or other multimodal data as input. Additionally, we introduced a benchmark for estimating flow parameters to assess current modeling methods. This dataset aims to advance aneurysm research and promote data-driven approaches in biofluids, biomedical engineering, and clinical risk assessment. The code and dataset are available at: https://github.com/Xigui-Li/Aneumo.

Kunlong Chen, Weidi Xu, Xingyi Cheng et al.

Numerical reasoning over texts, such as addition, subtraction, sorting and counting, is a challenging machine reading comprehension task, since it requires both natural language understanding and arithmetic computation. To address this challenge, we propose a heterogeneous graph representation for the context of the passage and question needed for such reasoning, and design a question directed graph attention network to drive multi-step numerical reasoning over this context graph. The code link is at: https://github.com/emnlp2020qdgat/QDGAT

Xingyi Cheng, Weidi Xu, Kunlong Chen et al.

Chinese Spelling Check (CSC) is a task to detect and correct spelling errors in Chinese natural language. Existing methods have made attempts to incorporate the similarity knowledge between Chinese characters. However, they take the similarity knowledge as either an external input resource or just heuristic rules. This paper proposes to incorporate phonological and visual similarity knowledge into language models for CSC via a specialized graph convolutional network (SpellGCN). The model builds a graph over the characters, and SpellGCN is learned to map this graph into a set of inter-dependent character classifiers. These classifiers are applied to the representations extracted by another network, such as BERT, enabling the whole network to be end-to-end trainable. Experiments (The dataset and all code for this paper are available at https://github.com/ACL2020SpellGCN/SpellGCN) are conducted on three human-annotated datasets. Our method achieves superior performance against previous models by a large margin.

Siming Huang, Tianhao Cheng, J. K. Liu et al.

Large language models (LLMs) for code have become indispensable in various domains, including code generation, reasoning tasks and agent systems. While open-access code LLMs are increasingly approaching the performance levels of proprietary models, high-quality code LLMs suitable for rigorous scientific investigation, particularly those with reproducible data processing pipelines and transparent training protocols, remain limited. The scarcity is due to various challenges, including resource constraints, ethical considerations, and the competitive advantages of keeping models advanced. To address the gap, we introduce OpenCoder, a top-tier code LLM that not only achieves performance comparable to leading models but also serves as an "open cookbook" for the research community. Unlike most prior efforts, we release not only model weights and inference code, but also the reproducible training data, complete data processing pipeline, rigorous experimental ablation results, and detailed training protocols for open scientific research. Through this comprehensive release, we identify the key ingredients for building a top-tier code LLM: (1) code optimized heuristic rules for data cleaning and methods for data deduplication, (2) recall of text corpus related to code and (3) high-quality synthetic data in both annealing and supervised fine-tuning stages. By offering this level of openness, we aim to broaden access to all aspects of a top-tier code LLM, with OpenCoder serving as both a powerful model and an open foundation to accelerate research, and enable reproducible advancements in code AI.

Junyi An, Chao Qu, Yun-Fei Shi et al.

Recent 3D molecular generation methods primarily use asynchronous auto-regressive or synchronous diffusion models. While auto-regressive models build molecules sequentially, they're limited by a short horizon and a discrepancy between training and inference. Conversely, synchronous diffusion models denoise all atoms at once, offering a molecule-level horizon but failing to capture the causal relationships inherent in hierarchical molecular structures. We introduce Equivariant Asynchronous Diffusion (EAD) to overcome these limitations. EAD is a novel diffusion model that combines the strengths of both approaches: it uses an asynchronous denoising schedule to better capture molecular hierarchy while maintaining a molecule-level horizon. Since these relationships are often complex, we propose a dynamic scheduling mechanism to adaptively determine the denoising timestep. Experimental results show that EAD achieves state-of-the-art performance in 3D molecular generation.

Yichi Zhang, Jin Yang, Yuchen Liu et al.

Semi-supervised learning has attracted much attention due to its less dependence on acquiring abundant annotations from experts compared to fully supervised methods, which is especially important for medical image segmentation which typically requires intensive pixel/voxel-wise labeling by domain experts. Although semi-supervised methods can improve the performance by utilizing unlabeled data, there are still gaps between fully supervised methods under extremely limited annotation scenarios. In this paper, we propose a simple yet efficient strategy to explore the usage of the Segment Anything Model (SAM) for enhancing semi-supervised medical image segmentation. Concretely, the segmentation model trained with domain knowledge provides information for localization and generating input prompts to the SAM. Then the generated pseudo-labels of SAM are utilized as additional supervision to assist in the learning procedure of the semi-supervised framework. Extensive experiments demonstrate that SemiSAM significantly improves the performance of existing semi-supervised frameworks when only one or a few labeled images are available and shows strong efficiency as a plug-and-play strategy for semi-supervised medical image segmentation.

Weiqi Liu, Fenglei Cao, Yuan Qi et al.

With the rise of data-driven reaction prediction models, effective reaction descriptors are crucial for bridging the gap between real-world chemistry and digital representations. However, general-purpose, reaction-wise descriptors remain scarce. This study introduces RXNEmb, a novel reaction-level descriptor derived from RXNGraphormer, a model pre-trained to distinguish real reactions from fictitious ones with erroneous bond changes, thereby learning intrinsic bond formation and cleavage patterns. We demonstrate its utility by data-driven re-clustering of the USPTO-50k dataset, yielding a classification that more directly reflects bond-change similarities than rule-based categories. Combined with dimensionality reduction, RXNEmb enables visualization of reaction space diversity. Furthermore, attention weight analysis reveals the model's focus on chemically critical sites, providing mechanistic insight. RXNEmb serves as a powerful, interpretable tool for reaction fingerprinting and analysis, paving the way for more data-centric approaches in reaction analysis and discovery.

Yichi Zhang, Le Xue, Bichun Xu et al.

Semi-supervised learning (SSL) has become a promising solution to alleviate the annotation burden of deep learning-based medical image segmentation models. While recent advances in foundation model-driven SSL have pushed the boundary to extremely limited annotation scenarios, they fail to maintain robust competitive performance in complex imaging modalities. In this paper, we propose SemiSAM-O1, an annotation-efficient framework using only one annotated template image for segmentation. SemiSAM-O1 extends the specialist-generalist collaborative learning framework to the extreme one-label setting by fully exploiting the foundation model's feature representation capability beyond its prompting interface. SemiSAM-O1 operates in two stages. In the first stage, the foundation model's encoder extracts dense features from all volumes, and class prototypes derived from the single annotated template are propagated to the unlabeled pool via feature similarity to produce coarse initial pseudo-labels. In the second stage, an iterative training-and-refinement loop progressively improves both the segmentation model and the pseudo-labels over multiple rounds, where each round trains the model from scratch on current pseudo-labels and generates updated predictions with voxel-wise uncertainty estimates. An uncertainty-guided refinement step further leverages the foundation model's global feature space to correct high-uncertainty regions by aggregating labels from their most similar confident neighbors, establishing a virtuous cycle of mutual improvement. Extensive experiments on a wide range of segmentation tasks across different modalities and anatomical targets demonstrate that SemiSAM-O1 significantly narrows the performance gap between one-label semi-supervised learning and full supervision, while significantly reducing the computational overhead of online foundation model inference.