arXiv subjects

Yuan Qi

Publications and source records attributed to Yuan Qi.

At least 73 records · Page 4Linked to original sources

arXiv2025

SemiSAM+: Rethinking Semi-Supervised Medical Image Segmentation in the Era of Foundation Models

Deep learning-based medical image segmentation typically requires large amount of labeled data for training, making it less applicable in clinical settings due to high annotation cost. Semi-supervised learning (SSL) has emerged as an appealing strategy due to its less dependence on acquiring abundant annotations from experts compared to fully supervised methods. Beyond existing model-centric advancements of SSL by designing novel regularization strategies, we anticipate a paradigmatic shift due to the emergence of promptable segmentation foundation models with universal segmentation capabilities using positional prompts represented by Segment Anything Model (SAM). In this paper, we present SemiSAM+, a foundation model-driven SSL framework to efficiently learn from limited labeled data for medical image segmentation. SemiSAM+ consists of one or multiple promptable foundation models as generalist models, and a trainable task-specific segmentation model as specialist model. For a given new segmentation task, the training is based on the specialist-generalist collaborative learning procedure, where the trainable specialist model delivers positional prompts to interact with the frozen generalist models to acquire pseudo-labels, and then the generalist model output provides the specialist model with informative and efficient supervision which benefits the automatic segmentation and prompt generation in turn. Extensive experiments on two public datasets and one in-house clinical dataset demonstrate that SemiSAM+ achieves significant performance improvement, especially under extremely limited annotation scenarios, and shows strong efficiency as a plug-and-play strategy that can be easily adapted to different specialist and generalist models.

eess.IV↗

arXiv2025

ChemHTS: Hierarchical Tool Stacking for Enhancing Chemical Agents

Large Language Models (LLMs) have demonstrated remarkable potential in scientific research, particularly in chemistry-related tasks such as molecular design, reaction prediction, and property estimation. While tool-augmented LLMs have been introduced to enhance reasoning and computation in these domains, existing approaches suffer from tool invocation errors and lack effective collaboration among diverse tools, limiting their overall performance. To address these challenges, we propose ChemHTS (Chemical Hierarchical Tool Stacking), a novel method that optimizes tool invocation pathways through a hierarchical stacking strategy. ChemHTS consists of two key stages: tool self-stacking warmup and multi-layer decision optimization, enabling LLMs to refine tool usage dynamically. We evaluate ChemHTS across four classical chemistry tasks and demonstrate its superiority over strong baselines, including GPT-4o, DeepSeek-R1, and chemistry-specific models, including ChemDFM. Furthermore, we define four distinct tool-stacking behaviors to enhance interpretability, providing insights into the effectiveness of tool collaboration. Our dataset and code are publicly available at \url{https://github.com/Chang-pw/ChemHTS}.

cs.CE↗

arXiv2025

AURORA:Automated Training Framework of Universal Process Reward Models via Ensemble Prompting and Reverse Verification

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.

cs.CL↗

arXiv2025

Aneumo: A Large-Scale Comprehensive Synthetic Dataset of Aneurysm Hemodynamics

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.

cs.CV↗

arXiv2024

An Attentive Dual-Encoder Framework Leveraging Multimodal Visual and Semantic Information for Automatic OSAHS Diagnosis

Obstructive sleep apnea-hypopnea syndrome (OSAHS) is a common sleep disorder caused by upper airway blockage, leading to oxygen deprivation and disrupted sleep. Traditional diagnosis using polysomnography (PSG) is expensive, time-consuming, and uncomfortable. Existing deep learning methods using facial image analysis lack accuracy due to poor facial feature capture and limited sample sizes. To address this, we propose a multimodal dual encoder model that integrates visual and language inputs for automated OSAHS diagnosis. The model balances data using randomOverSampler, extracts key facial features with attention grids, and converts physiological data into meaningful text. Cross-attention combines image and text data for better feature extraction, and ordered regression loss ensures stable learning. Our approach improves diagnostic efficiency and accuracy, achieving 91.3% top-1 accuracy in a four-class severity classification task, demonstrating state-of-the-art performance. Code will be released upon acceptance.

cs.CV↗

arXiv2024

AlphaFolding: 4D Diffusion for Dynamic Protein Structure Prediction with Reference and Motion Guidance

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/#/

cs.LG↗

arXiv2024

FuXi Weather: A data-to-forecast machine learning system for global weather

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.

cs.LG↗

arXiv2024

FedCVD: The First Real-World Federated Learning Benchmark on Cardiovascular Disease Data

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.

eess.SP↗

arXiv2024

SemiSAM: Enhancing Semi-Supervised Medical Image Segmentation via SAM-Assisted Consistency Regularization

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.

cs.CV↗

arXiv2024

PILLOW: Enhancing Efficient Instruction Fine-tuning via Prompt Matching

Instruction fine-tuning has conventionally been employed to adapt Large Language Models (LLMs) to a variety of tasks. Nonetheless, this technique often necessitates substantial computational resources, making it impractical for deployment by individuals or small-scale entities. Recently, Low-Rank Adaptation (LoRA) has become a promising alternative, offering high capabilities on par with full tuning with reduced resource overhead. However, attaining satisfactory performance through the fine-tuning of LoRA is a non-trivial challenge. In this paper, we propose PILLOW, which aims to improve LoRA's performance by a discrimination-based prompting method, leveraging LLMs' In-Context Learning ability. PILLOW incorporates a matching network that selects prompts from a user-defined prompt pool, concatenates the selected prompts with the user instruction as input, and performs inference using the LoRA-fine-tuned LLMs. Trained with Reinforcement Learning, PILLOW exhibits commensurate performance on various evaluation metrics compared with typical instruction fine-tuning methods, utilizing only consumer-grade GPU resources and exhibiting a large reduction in computational costs.

cs.CL↗

arXiv2024

Dynamic PDB: A New Dataset and a SE(3) Model Extension by Integrating Dynamic Behaviors and Physical Properties in Protein Structures

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/ .

q-bio.BM↗

arXiv2024

Can we only use guideline instead of shot in prompt?

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.

cs.HC↗

arXiv2024

Struct-X: Enhancing Large Language Models Reasoning with Structured Data

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.

cs.CL↗

arXiv2024

Towards Collaborative Intelligence: Propagating Intentions and Reasoning for Multi-Agent Coordination with Large Language Models

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.

cs.CL↗

arXiv2024

FuXi-S2S: A machine learning model that outperforms conventional global subseasonal forecast models

Skillful subseasonal forecasts are crucial for various sectors of society but pose a grand scientific challenge. Recently, machine learning based weather forecasting models outperform the most successful numerical weather predictions generated by the European Centre for Medium-Range Weather Forecasts (ECMWF), but have not yet surpassed conventional models at subseasonal timescales. This paper introduces FuXi Subseasonal-to-Seasonal (FuXi-S2S), a machine learning model that provides global daily mean forecasts up to 42 days, encompassing five upper-air atmospheric variables at 13 pressure levels and 11 surface variables. FuXi-S2S, trained on 72 years of daily statistics from ECMWF ERA5 reanalysis data, outperforms the ECMWF's state-of-the-art Subseasonal-to-Seasonal model in ensemble mean and ensemble forecasts for total precipitation and outgoing longwave radiation, notably enhancing global precipitation forecast. The improved performance of FuXi-S2S can be primarily attributed to its superior capability to capture forecast uncertainty and accurately predict the Madden-Julian Oscillation (MJO), extending the skillful MJO prediction from 30 days to 36 days. Moreover, FuXi-S2S not only captures realistic teleconnections associated with the MJO, but also emerges as a valuable tool for discovering precursor signals, offering researchers insights and potentially establishing a new paradigm in Earth system science research.

physics.ao-ph↗

arXiv2024

Incentive-Aware Recommender Systems in Two-Sided Markets

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.

cs.IR↗

arXiv2024

Sign is Not a Remedy: Multiset-to-Multiset Message Passing for Learning on Heterophilic Graphs

Graph Neural Networks (GNNs) have gained significant attention as a powerful modeling and inference method, especially for homophilic graph-structured data. To empower GNNs in heterophilic graphs, where adjacent nodes exhibit dissimilar labels or features, Signed Message Passing (SMP) has been widely adopted. However, there is a lack of theoretical and empirical analysis regarding the limitations of SMP. In this work, we unveil some potential pitfalls of SMP and their remedies. We first identify two limitations of SMP: undesirable representation update for multi-hop neighbors and vulnerability against oversmoothing issues. To overcome these challenges, we propose a novel message passing function called Multiset to Multiset GNN(M2M-GNN). Our theoretical analyses and extensive experiments demonstrate that M2M-GNN effectively alleviates the aforementioned limitations of SMP, yielding superior performance in comparison

cs.LG↗

arXiv2024

AI2Apps: A Visual IDE for Building LLM-based AI Agent Applications

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.

cs.AI↗