arXiv subjects

Junwen Duan

Publications and source records attributed to Junwen Duan.

16 recordsLinked to original sources

arXiv2026

High-Pressure Crystal Structure Database

High-pressure research is a productive route to new structures and emergent properties. However, crucial high-pressure structural information remains highly fragmented across individual publications and heterogeneous computational repositories. This fragmentation creates a major bottleneck for data-driven materials design. To bridge this gap, we introduce the High-Pressure Crystal Structure Database (HPCSD), a traceable, pressure-resolved repository that integrates experimental and theoretical high-pressure structures. HPCSD is constructed from two complementary data streams: elemental high-pressure phases and a searchable configuration space of stable and metastable phases generated via CALYPSO crystal structure prediction. To ensure rigorous comparability, all retained structures underwent re-optimization under a unified density functional theory (DFT) framework , with continuous enthalpy curves systematically generated specifically for the elemental phases across their stability fields. The initial release encompasses 77,346 consistently evaluated structural entries spanning 89 elements. An analysis reveals that pressure-induced polymorphism is ubiquitous and exhibits pronounced family-dependent trends. Structural diversity is strongly influenced by an element's electronic adaptability , with the greatest structural complexity emerging at intermediate rather than highest pressures. By providing standardized, reusable, and rigorously evaluated high-pressure structural data, HPCSD establishes a robust infrastructure to accelerate experimental phase identification, facilitate cross-study thermodynamic comparisons, and support the development of machine-learning interatomic potentials and generative models for high-pressure systems.

cond-mat.mtrl-sci↗

arXiv2026

Interface-dependent Phase Transitions and Ultrafast Hydrogen Superionic Diffusion of H2O Ice

High-pressure experiments using diamond anvils have revealed novel properties and phase behavior of H2O under extreme conditions. When contained in diamond-anvil cells, the H2O samples are usually in direct contact with the diamond anvil. However, the extent to which this interface affects measured pressure-induced properties and behavior, including coexistence lines of ice phases, remains unknown. Combining artificial neural network methods and active learning schemes with large-scale molecular dynamics simulations, we elucidate the interfacial effects on various properties of high-pressure ice phases, including superionic states, solid-solid phase transitions, and melting. The results reveal that the presence of this interface can significantly lower the hydrogen superionic transition temperature. Remarkably, the interface can also induce a spontaneous transition from bcc- to fcc-based ice following the inverse Bain mechanism. Further, we redefined a stability field of bcc and fcc ice below the melting line and predicted the existence of fcc ice at much lower pressures than previously thought. More broadly, the results emphasize the importance of interface effects in understanding a wide range of phenomena reported in experimental studies of ice under pressure, including inconsistencies between theoretical and experimental results of this fundamental system.

cond-mat.mtrl-sci↗

arXiv2025

ICA-RAG: Information Completeness Guided Adaptive Retrieval-Augmented Generation for Disease Diagnosis

Retrieval-Augmented Large Language Models (LLMs), which integrate external knowledge, have shown remarkable performance in medical domains, including clinical diagnosis. However, existing RAG methods often struggle to tailor retrieval strategies to diagnostic difficulty and input sample informativeness. This limitation leads to excessive and often unnecessary retrieval, impairing computational efficiency and increasing the risk of introducing noise that can degrade diagnostic accuracy. To address this, we propose ICA-RAG (\textbf{I}nformation \textbf{C}ompleteness Guided \textbf{A}daptive \textbf{R}etrieval-\textbf{A}ugmented \textbf{G}eneration), a novel framework for enhancing RAG reliability in disease diagnosis. ICA-RAG utilizes an adaptive control module to assess the necessity of retrieval based on the input's information completeness. By optimizing retrieval and incorporating knowledge filtering, ICA-RAG better aligns retrieval operations with clinical requirements. Experiments on three Chinese electronic medical record datasets demonstrate that ICA-RAG significantly outperforms baseline methods, highlighting its effectiveness in clinical diagnosis.

cs.CL↗

arXiv2025

DDO: Dual-Decision Optimization for LLM-Based Medical Consultation via Multi-Agent Collaboration

Large Language Models (LLMs) demonstrate strong generalization and reasoning abilities, making them well-suited for complex decision-making tasks such as medical consultation (MC). However, existing LLM-based methods often fail to capture the dual nature of MC, which entails two distinct sub-tasks: symptom inquiry, a sequential decision-making process, and disease diagnosis, a classification problem. This mismatch often results in ineffective symptom inquiry and unreliable disease diagnosis. To address this, we propose \textbf{DDO}, a novel LLM-based framework that performs \textbf{D}ual-\textbf{D}ecision \textbf{O}ptimization by decoupling the two sub-tasks and optimizing them with distinct objectives through a collaborative multi-agent workflow. Experiments on three real-world MC datasets show that DDO consistently outperforms existing LLM-based approaches and achieves competitive performance with state-of-the-art generation-based methods, demonstrating its effectiveness in the MC task. The code is available at https://github.com/zh-jia/DDO.

cs.CL↗

arXiv2025

OW-CLIP: Data-Efficient Visual Supervision for Open-World Object Detection via Human-AI Collaboration

Open-world object detection (OWOD) extends traditional object detection to identifying both known and unknown object, necessitating continuous model adaptation as new annotations emerge. Current approaches face significant limitations: 1) data-hungry training due to reliance on a large number of crowdsourced annotations, 2) susceptibility to "partial feature overfitting," and 3) limited flexibility due to required model architecture modifications. To tackle these issues, we present OW-CLIP, a visual analytics system that provides curated data and enables data-efficient OWOD model incremental training. OW-CLIP implements plug-and-play multimodal prompt tuning tailored for OWOD settings and introduces a novel "Crop-Smoothing" technique to mitigate partial feature overfitting. To meet the data requirements for the training methodology, we propose dual-modal data refinement methods that leverage large language models and cross-modal similarity for data generation and filtering. Simultaneously, we develope a visualization interface that enables users to explore and deliver high-quality annotations: including class-specific visual feature phrases and fine-grained differentiated images. Quantitative evaluation demonstrates that OW-CLIP achieves competitive performance at 89% of state-of-the-art performance while requiring only 3.8% self-generated data, while outperforming SOTA approach when trained with equivalent data volumes. A case study shows the effectiveness of the developed method and the improved annotation quality of our visualization system.

cs.CV↗

arXiv2025

Computed Tomography Visual Question Answering with Cross-modal Feature Graphing

Visual question answering (VQA) in medical imaging aims to support clinical diagnosis by automatically interpreting complex imaging data in response to natural language queries. Existing studies typically rely on distinct visual and textual encoders to independently extract features from medical images and clinical questions, which are subsequently combined to generate answers. Specifically, in computed tomography (CT), such approaches are similar to the conventional practices in medical image analysis. However, these approaches pay less attention to the spatial continuity and inter-slice correlations in the volumetric CT data, leading to fragmented and imprecise responses. In this paper, we propose a novel large language model (LLM)-based framework enhanced by a graph representation of salient features. Different from conventional multimodal encoding strategies, our approach constructs a cross-modal graph integrating both visual and textual features, treating individual CT slices and question tokens as nodes within the graph. We further leverage an attentive graph convolutional network to dynamically fuse information within this structure. The resulting aggregated graph features then serve as a soft prompt to guide a large language model in generating accurate answers. Extensive experiments on the M3D-VQA benchmark demonstrate that our approach consistently outperforms baselines across multiple evaluation metrics, offering more robust reasoning capabilities.

cs.CV↗

arXiv2025

CheXLearner: Text-Guided Fine-Grained Representation Learning for Progression Detection

Temporal medical image analysis is essential for clinical decision-making, yet existing methods either align images and text at a coarse level - causing potential semantic mismatches - or depend solely on visual information, lacking medical semantic integration. We present CheXLearner, the first end-to-end framework that unifies anatomical region detection, Riemannian manifold-based structure alignment, and fine-grained regional semantic guidance. Our proposed Med-Manifold Alignment Module (Med-MAM) leverages hyperbolic geometry to robustly align anatomical structures and capture pathologically meaningful discrepancies across temporal chest X-rays. By introducing regional progression descriptions as supervision, CheXLearner achieves enhanced cross-modal representation learning and supports dynamic low-level feature optimization. Experiments show that CheXLearner achieves 81.12% (+17.2%) average accuracy and 80.32% (+11.05%) F1-score on anatomical region progression detection - substantially outperforming state-of-the-art baselines, especially in structurally complex regions. Additionally, our model attains a 91.52% average AUC score in downstream disease classification, validating its superior feature representation.

cs.CV↗

arXiv2025

SigChord: Sniffing Wide Non-sparse Multiband Signals for Terrestrial and Non-terrestrial Wireless Networks

While unencrypted information inspection in physical layer (e.g., open headers) can provide deep insights for optimizing wireless networks, the state-of-the-art (SOTA) methods heavily depend on full sampling rate (a.k.a Nyquist rate), and high-cost radios, due to terrestrial and non-terrestrial networks densely occupying multiple bands across large bandwidth (e.g., from 4G/5G at 0.4-7 GHz to LEO satellite at 4-40 GHz). To this end, we present SigChord, an efficient physical layer inspection system built on low-cost and sub-Nyquist sampling radios. We first design a deep and rule-based interleaving algorithm based on Transformer network to perform spectrum sensing and signal recovery under sub-Nyquist sampling rate, and second, cascade protocol identifier and decoder based on Transformer neural networks to help physical layer packets analysis. We implement SigChord using software-defined radio platforms, and extensively evaluate it on over-the-air terrestrial and non-terrestrial wireless signals. The experiments demonstrate that SigChord delivers over 99% accuracy in detecting and decoding, while still decreasing 34% sampling rate, compared with the SOTA approaches.

cs.NI↗

arXiv2025

Safe Inputs but Unsafe Output: Benchmarking Cross-modality Safety Alignment of Large Vision-Language Model

As Artificial General Intelligence (AGI) becomes increasingly integrated into various facets of human life, ensuring the safety and ethical alignment of such systems is paramount. Previous studies primarily focus on single-modality threats, which may not suffice given the integrated and complex nature of cross-modality interactions. We introduce a novel safety alignment challenge called Safe Inputs but Unsafe Output (SIUO) to evaluate cross-modality safety alignment. Specifically, it considers cases where single modalities are safe independently but could potentially lead to unsafe or unethical outputs when combined. To empirically investigate this problem, we developed the SIUO, a cross-modality benchmark encompassing 9 critical safety domains, such as self-harm, illegal activities, and privacy violations. Our findings reveal substantial safety vulnerabilities in both closed- and open-source LVLMs, such as GPT-4V and LLaVA, underscoring the inadequacy of current models to reliably interpret and respond to complex, real-world scenarios.

cs.AI↗

arXiv2025

medIKAL: Integrating Knowledge Graphs as Assistants of LLMs for Enhanced Clinical Diagnosis on EMRs

Electronic Medical Records (EMRs), while integral to modern healthcare, present challenges for clinical reasoning and diagnosis due to their complexity and information redundancy. To address this, we proposed medIKAL (Integrating Knowledge Graphs as Assistants of LLMs), a framework that combines Large Language Models (LLMs) with knowledge graphs (KGs) to enhance diagnostic capabilities. medIKAL assigns weighted importance to entities in medical records based on their type, enabling precise localization of candidate diseases within KGs. It innovatively employs a residual network-like approach, allowing initial diagnosis by the LLM to be merged into KG search results. Through a path-based reranking algorithm and a fill-in-the-blank style prompt template, it further refined the diagnostic process. We validated medIKAL's effectiveness through extensive experiments on a newly introduced open-sourced Chinese EMR dataset, demonstrating its potential to improve clinical diagnosis in real-world settings.

cs.CL↗

arXiv2025

RUIE: Retrieval-based Unified Information Extraction using Large Language Model

Unified information extraction (UIE) aims to extract diverse structured information from unstructured text. While large language models (LLMs) have shown promise for UIE, they require significant computational resources and often struggle to generalize to unseen tasks. We propose RUIE (Retrieval-based Unified Information Extraction), a framework that leverages in-context learning for efficient task generalization. RUIE introduces a novel demonstration selection mechanism combining LLM preferences with a keyword-enhanced reward model, and employs a bi-encoder retriever trained through contrastive learning and knowledge distillation. As the first trainable retrieval framework for UIE, RUIE serves as a universal plugin for various LLMs. Experimental results on eight held-out datasets demonstrate RUIE's effectiveness, with average F1-score improvements of 19.22 and 3.22 compared to instruction-tuning methods and other retrievers, respectively.

cs.CL↗

arXiv2024

MARE: Multi-Aspect Rationale Extractor on Unsupervised Rationale Extraction

Unsupervised rationale extraction aims to extract text snippets to support model predictions without explicit rationale annotation. Researchers have made many efforts to solve this task. Previous works often encode each aspect independently, which may limit their ability to capture meaningful internal correlations between aspects. While there has been significant work on mitigating spurious correlations, our approach focuses on leveraging the beneficial internal correlations to improve multi-aspect rationale extraction. In this paper, we propose a Multi-Aspect Rationale Extractor (MARE) to explain and predict multiple aspects simultaneously. Concretely, we propose a Multi-Aspect Multi-Head Attention (MAMHA) mechanism based on hard deletion to encode multiple text chunks simultaneously. Furthermore, multiple special tokens are prepended in front of the text with each corresponding to one certain aspect. Finally, multi-task training is deployed to reduce the training overhead. Experimental results on two unsupervised rationale extraction benchmarks show that MARE achieves state-of-the-art performance. Ablation studies further demonstrate the effectiveness of our method. Our codes have been available at https://github.com/CSU-NLP-Group/MARE.

cs.CL↗

arXiv2023

Faster Stochastic Variance Reduction Methods for Compositional MiniMax Optimization

This paper delves into the realm of stochastic optimization for compositional minimax optimization - a pivotal challenge across various machine learning domains, including deep AUC and reinforcement learning policy evaluation. Despite its significance, the problem of compositional minimax optimization is still under-explored. Adding to the complexity, current methods of compositional minimax optimization are plagued by sub-optimal complexities or heavy reliance on sizable batch sizes. To respond to these constraints, this paper introduces a novel method, called Nested STOchastic Recursive Momentum (NSTORM), which can achieve the optimal sample complexity of $O(κ^3 /ε^3 )$ to obtain the $ε$-accuracy solution. We also demonstrate that NSTORM can achieve the same sample complexity under the Polyak-Łojasiewicz (PL)-condition - an insightful extension of its capabilities. Yet, NSTORM encounters an issue with its requirement for low learning rates, potentially constraining its real-world applicability in machine learning. To overcome this hurdle, we present ADAptive NSTORM (ADA-NSTORM) with adaptive learning rates. We demonstrate that ADA-NSTORM can achieve the same sample complexity but the experimental results show its more effectiveness. All the proposed complexities indicate that our proposed methods can match lower bounds to existing minimax optimizations, without requiring a large batch size in each iteration. Extensive experiments support the efficiency of our proposed methods.

cs.LG↗

arXiv2023

You Only Forward Once: Prediction and Rationalization in A Single Forward Pass

Unsupervised rationale extraction aims to extract concise and contiguous text snippets to support model predictions without any annotated rationale. Previous studies have used a two-phase framework known as the Rationalizing Neural Prediction (RNP) framework, which follows a generate-then-predict paradigm. They assumed that the extracted explanation, called rationale, should be sufficient to predict the golden label. However, the assumption above deviates from the original definition and is too strict to perform well. Furthermore, these two-phase models suffer from the interlocking problem and spurious correlations. To solve the above problems, we propose a novel single-phase framework called You Only Forward Once (YOFO), derived from a relaxed version of rationale where rationales aim to support model predictions rather than make predictions. In our framework, A pre-trained language model like BERT is deployed to simultaneously perform prediction and rationalization with less impact from interlocking or spurious correlations. Directly choosing the important tokens in an unsupervised manner is intractable. Instead of directly choosing the important tokens, YOFO gradually removes unimportant tokens during forward propagation. Through experiments on the BeerAdvocate and Hotel Review datasets, we demonstrate that our model is able to extract rationales and make predictions more accurately compared to RNP-based models. We observe an improvement of up to 18.4\% in token-level F1 compared to previous state-of-the-art methods. We also conducted analyses and experiments to explore the extracted rationales and token decay strategies. The results show that YOFO can extract precise and important rationales while removing unimportant tokens in the middle part of the model.

cs.CL↗

arXiv2023

MHLAT: Multi-hop Label-wise Attention Model for Automatic ICD Coding

International Classification of Diseases (ICD) coding is the task of assigning ICD diagnosis codes to clinical notes. This can be challenging given the large quantity of labels (nearly 9,000) and lengthy texts (up to 8,000 tokens). However, unlike the single-pass reading process in previous works, humans tend to read the text and label definitions again to get more confident answers. Moreover, although pretrained language models have been used to address these problems, they suffer from huge memory usage. To address the above problems, we propose a simple but effective model called the Multi-Hop Label-wise ATtention (MHLAT), in which multi-hop label-wise attention is deployed to get more precise and informative representations. Extensive experiments on three benchmark MIMIC datasets indicate that our method achieves significantly better or competitive performance on all seven metrics, with much fewer parameters to optimize.

cs.CL↗

arXiv2020

Event Representation Learning Enhanced with External Commonsense Knowledge

Prior work has proposed effective methods to learn event representations that can capture syntactic and semantic information over text corpus, demonstrating their effectiveness for downstream tasks such as script event prediction. On the other hand, events extracted from raw texts lacks of commonsense knowledge, such as the intents and emotions of the event participants, which are useful for distinguishing event pairs when there are only subtle differences in their surface realizations. To address this issue, this paper proposes to leverage external commonsense knowledge about the intent and sentiment of the event. Experiments on three event-related tasks, i.e., event similarity, script event prediction and stock market prediction, show that our model obtains much better event embeddings for the tasks, achieving 78% improvements on hard similarity task, yielding more precise inferences on subsequent events under given contexts, and better accuracies in predicting the volatilities of the stock market.

cs.AI↗