arXiv subjects

Chen Zhao

Publications and source records attributed to Chen Zhao.

At least 163 records · Page 9Linked to original sources

arXiv2025

A Survey of AI for Materials Science: Foundation Models, LLM Agents, Datasets, and Tools

Foundation models (FMs) are catalyzing a transformative shift in materials science (MatSci) by enabling scalable, general-purpose, and multimodal AI systems for scientific discovery. Unlike traditional machine learning models, which are typically narrow in scope and require task-specific engineering, FMs offer cross-domain generalization and exhibit emergent capabilities. Their versatility is especially well-suited to materials science, where research challenges span diverse data types and scales. This survey provides a comprehensive overview of foundation models, agentic systems, datasets, and computational tools supporting this growing field. We introduce a task-driven taxonomy encompassing six broad application areas: data extraction, interpretation and Q\&A; atomistic simulation; property prediction; materials structure, design and discovery; process planning, discovery, and optimization; and multiscale modeling. We discuss recent advances in both unimodal and multimodal FMs, as well as emerging large language model (LLM) agents. Furthermore, we review standardized datasets, open-source tools, and autonomous experimental platforms that collectively fuel the development and integration of FMs into research workflows. We assess the early successes of foundation models and identify persistent limitations, including challenges in generalizability, interpretability, data imbalance, safety concerns, and limited multimodal fusion. Finally, we articulate future research directions centered on scalable pretraining, continual learning, data governance, and trustworthiness.

cs.LG↗

arXiv2025

Fast correlated decoding of transversal logical algorithms

Quantum error correction (QEC) is required for large-scale computation, but incurs a significant resource overhead. Recent advances have shown that by jointly decoding logical qubits in algorithms composed of transversal gates, the number of syndrome extraction rounds can be reduced by a factor of the code distance $d$, at the cost of increased classical decoding complexity. Here, we reformulate the problem of decoding transversal circuits by directly decoding relevant logical operator products as they propagate through the circuit. This procedure transforms the decoding task into one closely resembling that of a single-qubit memory propagating through time. The resulting approach leads to fast decoding and reduced problem size while maintaining high performance. Focusing on the surface code, we prove that this method enables fault-tolerant decoding with minimum-weight perfect matching, and benchmark its performance on example circuits including magic state distillation. We find that the threshold is comparable to that of a single-qubit memory, and that the total decoding run time can be, in fact, less than that of conventional lattice surgery. Our approach enables fast correlated decoding, providing a pathway to directly extend single-qubit QEC techniques to transversal algorithms.

quant-ph↗

arXiv2025

An Uncertainty-Aware Dynamic Decision Framework for Progressive Multi-Omics Integration in Classification Tasks

Background and Objective: High-throughput multi-omics technologies have proven invaluable for elucidating disease mechanisms and enabling early diagnosis. However, the high cost of multi-omics profiling imposes a significant economic burden, with over reliance on full omics data potentially leading to unnecessary resource consumption. To address these issues, we propose an uncertainty-aware, multi-view dynamic decision framework for omics data classification that aims to achieve high diagnostic accuracy while minimizing testing costs. Methodology: At the single-omics level, we refine the activation functions of neural networks to generate Dirichlet distribution parameters, utilizing subjective logic to quantify both the belief masses and uncertainty mass of classification results. Belief mass reflects the support of a specific omics modality for a disease class, while the uncertainty parameter captures limitations in data quality and model discriminability, providing a more trustworthy basis for decision-making. At the multi omics level, we employ a fusion strategy based on Dempster-Shafer theory to integrate heterogeneous modalities, leveraging their complementarity to boost diagnostic accuracy and robustness. A dynamic decision mechanism is then applied that omics data are incrementally introduced for each patient until either all data sources are utilized or the model confidence exceeds a predefined threshold, potentially before all data sources are utilized. Results and Conclusion: We evaluate our approach on four benchmark multi-omics datasets, ROSMAP, LGG, BRCA, and KIPAN. In three datasets, over 50% of cases achieved accurate classification using a single omics modality, effectively reducing redundant testing. Meanwhile, our method maintains diagnostic performance comparable to full-omics models and preserves essential biological insights.

cs.LG↗

arXiv2025

Learning Multi-scale Spatial-frequency Features for Image Denoising

Recent advancements in multi-scale architectures have demonstrated exceptional performance in image denoising tasks. However, existing architectures mainly depends on a fixed single-input single-output Unet architecture, ignoring the multi-scale representations of pixel level. In addition, previous methods treat the frequency domain uniformly, ignoring the different characteristics of high-frequency and low-frequency noise. In this paper, we propose a novel multi-scale adaptive dual-domain network (MADNet) for image denoising. We use image pyramid inputs to restore noise-free results from low-resolution images. In order to realize the interaction of high-frequency and low-frequency information, we design an adaptive spatial-frequency learning unit (ASFU), where a learnable mask is used to separate the information into high-frequency and low-frequency components. In the skip connections, we design a global feature fusion block to enhance the features at different scales. Extensive experiments on both synthetic and real noisy image datasets verify the effectiveness of MADNet compared with current state-of-the-art denoising approaches.

cs.CV↗

arXiv2025

iDiT-HOI: Inpainting-based Hand Object Interaction Reenactment via Video Diffusion Transformer

Digital human video generation is gaining traction in fields like education and e-commerce, driven by advancements in head-body animation and lip-syncing technologies. However, realistic Hand-Object Interaction (HOI) - the complex dynamics between human hands and objects - continues to pose challenges. Generating natural and believable HOI reenactments is difficult due to issues such as occlusion between hands and objects, variations in object shapes and orientations, and the necessity for precise physical interactions, and importantly, the ability to generalize to unseen humans and objects. This paper presents a novel framework iDiT-HOI that enables in-the-wild HOI reenactment generation. Specifically, we propose a unified inpainting-based token process method, called Inp-TPU, with a two-stage video diffusion transformer (DiT) model. The first stage generates a key frame by inserting the designated object into the hand region, providing a reference for subsequent frames. The second stage ensures temporal coherence and fluidity in hand-object interactions. The key contribution of our method is to reuse the pretrained model's context perception capabilities without introducing additional parameters, enabling strong generalization to unseen objects and scenarios, and our proposed paradigm naturally supports long video generation. Comprehensive evaluations demonstrate that our approach outperforms existing methods, particularly in challenging real-world scenes, offering enhanced realism and more seamless hand-object interactions.

cs.GR↗

arXiv2025

QiMeng-Attention: SOTA Attention Operator is generated by SOTA Attention Algorithm

The attention operator remains a critical performance bottleneck in large language models (LLMs), particularly for long-context scenarios. While FlashAttention is the most widely used and effective GPU-aware acceleration algorithm, it must require time-consuming and hardware-specific manual implementation, limiting adaptability across GPU architectures. Existing LLMs have shown a lot of promise in code generation tasks, but struggle to generate high-performance attention code. The key challenge is it cannot comprehend the complex data flow and computation process of the attention operator and utilize low-level primitive to exploit GPU performance. To address the above challenge, we propose an LLM-friendly Thinking Language (LLM-TL) to help LLMs decouple the generation of high-level optimization logic and low-level implementation on GPU, and enhance LLMs' understanding of attention operator. Along with a 2-stage reasoning workflow, TL-Code generation and translation, the LLMs can automatically generate FlashAttention implementation on diverse GPUs, establishing a self-optimizing paradigm for generating high-performance attention operators in attention-centric algorithms. Verified on A100, RTX8000, and T4 GPUs, the performance of our methods significantly outshines that of vanilla LLMs, achieving a speed-up of up to 35.16x. Besides, our method not only surpasses human-optimized libraries (cuDNN and official library) in most scenarios but also extends support to unsupported hardware and data types, reducing development time from months to minutes compared with human experts.

cs.LG↗

arXiv2025

FAD-Net: Frequency-Domain Attention-Guided Diffusion Network for Coronary Artery Segmentation using Invasive Coronary Angiography

Background: Coronary artery disease (CAD) remains one of the leading causes of mortality worldwide. Precise segmentation of coronary arteries from invasive coronary angiography (ICA) is critical for effective clinical decision-making. Objective: This study aims to propose a novel deep learning model based on frequency-domain analysis to enhance the accuracy of coronary artery segmentation and stenosis detection in ICA, thereby offering robust support for the stenosis detection and treatment of CAD. Methods: We propose the Frequency-Domain Attention-Guided Diffusion Network (FAD-Net), which integrates a frequency-domain-based attention mechanism and a cascading diffusion strategy to fully exploit frequency-domain information for improved segmentation accuracy. Specifically, FAD-Net employs a Multi-Level Self-Attention (MLSA) mechanism in the frequency domain, computing the similarity between queries and keys across high- and low-frequency components in ICAs. Furthermore, a Low-Frequency Diffusion Module (LFDM) is incorporated to decompose ICAs into low- and high-frequency components via multi-level wavelet transformation. Subsequently, it refines fine-grained arterial branches and edges by reintegrating high-frequency details via inverse fusion, enabling continuous enhancement of anatomical precision. Results and Conclusions: Extensive experiments demonstrate that FAD-Net achieves a mean Dice coefficient of 0.8717 in coronary artery segmentation, outperforming existing state-of-the-art methods. In addition, it attains a true positive rate of 0.6140 and a positive predictive value of 0.6398 in stenosis detection, underscoring its clinical applicability. These findings suggest that FAD-Net holds significant potential to assist in the accurate diagnosis and treatment planning of CAD.

eess.IV↗

arXiv2025

Drive Any Mesh: 4D Latent Diffusion for Mesh Deformation from Video

We propose DriveAnyMesh, a method for driving mesh guided by monocular video. Current 4D generation techniques encounter challenges with modern rendering engines. Implicit methods have low rendering efficiency and are unfriendly to rasterization-based engines, while skeletal methods demand significant manual effort and lack cross-category generalization. Animating existing 3D assets, instead of creating 4D assets from scratch, demands a deep understanding of the input's 3D structure. To tackle these challenges, we present a 4D diffusion model that denoises sequences of latent sets, which are then decoded to produce mesh animations from point cloud trajectory sequences. These latent sets leverage a transformer-based variational autoencoder, simultaneously capturing 3D shape and motion information. By employing a spatiotemporal, transformer-based diffusion model, information is exchanged across multiple latent frames, enhancing the efficiency and generalization of the generated results. Our experimental results demonstrate that DriveAnyMesh can rapidly produce high-quality animations for complex motions and is compatible with modern rendering engines. This method holds potential for applications in both the gaming and filming industries.

cs.CV↗

arXiv2025

SUCEA: Reasoning-Intensive Retrieval for Adversarial Fact-checking through Claim Decomposition and Editing

Automatic fact-checking has recently received more attention as a means of combating misinformation. Despite significant advancements, fact-checking systems based on retrieval-augmented language models still struggle to tackle adversarial claims, which are intentionally designed by humans to challenge fact-checking systems. To address these challenges, we propose a training-free method designed to rephrase the original claim, making it easier to locate supporting evidence. Our modular framework, SUCEA, decomposes the task into three steps: 1) Claim Segmentation and Decontextualization that segments adversarial claims into independent sub-claims; 2) Iterative Evidence Retrieval and Claim Editing that iteratively retrieves evidence and edits the subclaim based on the retrieved evidence; 3) Evidence Aggregation and Label Prediction that aggregates all retrieved evidence and predicts the entailment label. Experiments on two challenging fact-checking datasets demonstrate that our framework significantly improves on both retrieval and entailment label accuracy, outperforming four strong claim-decomposition-based baselines.

cs.CL↗

arXiv2025

How to Use Graph Data in the Wild to Help Graph Anomaly Detection?

In recent years, graph anomaly detection has found extensive applications in various domains such as social, financial, and communication networks. However, anomalies in graph-structured data present unique challenges, including label scarcity, ill-defined anomalies, and varying anomaly types, making supervised or semi-supervised methods unreliable. Researchers often adopt unsupervised approaches to address these challenges, assuming that anomalies deviate significantly from the normal data distribution. Yet, when the available data is insufficient, capturing the normal distribution accurately and comprehensively becomes difficult. To overcome this limitation, we propose to utilize external graph data (i.e., graph data in the wild) to help anomaly detection tasks. This naturally raises the question: How can we use external data to help graph anomaly detection tasks? To answer this question, we propose a framework called Wild-GAD. It is built upon a unified database, UniWildGraph, which comprises a large and diverse collection of graph data with broad domain coverage, ample data volume, and a unified feature space. Further, we develop selection criteria based on representativity and diversity to identify the most suitable external data for anomaly detection task. Extensive experiments on six real-world datasets demonstrate the effectiveness of Wild-GAD. Compared to the baseline methods, our framework has an average 18% AUCROC and 32% AUCPR improvement over the best-competing methods.

cs.LG↗

arXiv2025

Inter-Passage Verification for Multi-evidence Multi-answer QA

Multi-answer question answering (QA), where questions can have many valid answers, presents a significant challenge for existing retrieval-augmented generation-based QA systems, as these systems struggle to retrieve and then synthesize a large number of evidence passages. To tackle these challenges, we propose a new multi-answer QA framework -- Retrieval-augmented Independent Reading with Inter-passage Verification (RI$^2$VER). Our framework retrieves a large set of passages and processes each passage individually to generate an initial high-recall but noisy answer set. Then we propose a new inter-passage verification pipeline that validates every candidate answer through (1) Verification Question Generation, (2) Gathering Additional Evidence, and (3) Verification with inter-passage synthesis. Evaluations on the QAMPARI and RoMQA datasets demonstrate that our framework significantly outperforms existing baselines across various model sizes, achieving an average F1 score improvement of 11.17%. Further analysis validates that our inter-passage verification pipeline enables our framework to be particularly beneficial for questions requiring multi-evidence synthesis.

cs.CL↗

arXiv2025

Diffusion vs. Autoregressive Language Models: A Text Embedding Perspective

Large language model (LLM)-based embedding models, benefiting from large scale pre-training and post-training, have begun to surpass BERT and T5-based models on general-purpose text embedding tasks such as document retrieval. However, a fundamental limitation of LLM embeddings lies in the unidirectional attention used during autoregressive pre-training, which misaligns with the bidirectional nature of text embedding tasks. To this end, We propose adopting diffusion language models for text embeddings, motivated by their inherent bidirectional architecture and recent success in matching or surpassing LLMs especially on reasoning tasks. We present the first systematic study of the diffusion language embedding model, which outperforms the LLM-based embedding model by 20% on long-document retrieval, 8% on reasoning-intensive retrieval, 2% on instruction-following retrieval, and achieve competitive performance on traditional text embedding benchmarks. Our analysis verifies that bidirectional attention is crucial for encoding global context in long and complex text.

cs.CL↗

arXiv2025

Resource Analysis of Low-Overhead Transversal Architectures for Reconfigurable Atom Arrays

Neutral atom arrays have recently emerged as a promising platform for fault-tolerant quantum computing. Based on these advances, including dynamically-reconfigurable connectivity and fast transversal operations, we present a low-overhead architecture that supports the layout and resource estimation of large-scale fault-tolerant quantum algorithms. Utilizing recent advances in fault tolerance with transversal gate operations, this architecture achieves a run time speed-up on the order of the code distance $d$, which we find directly translates to run time improvements of large-scale quantum algorithms. Our architecture consists of functional building blocks of key algorithmic subroutines, including magic state factories, quantum arithmetic units, and quantum look-up tables. These building blocks are implemented using efficient transversal operations, and we design space-time efficient versions of them that minimize interaction distance, thereby reducing atom move times and minimizing the volume for correlated decoding. We further propose models to estimate their logical error performance. We perform resource estimation for a large-scale implementation of Shor's factoring algorithm, one of the prototypical benchmarks for large-scale quantum algorithms, finding that 2048-bit RSA factoring can be executed with 19 million qubits in 5.6 days, for 1 ms QEC cycle times. This represents close to 50$\times$ speed-up of the run-time compared to existing estimates with similar assumptions, with no increase in space footprint.

quant-ph↗

arXiv2025

Kollár's package for polystable locally abelian parabolic Higgs bundles

We generalize Kollár's package (including torsion freeness, injectivity theorem, vanishing theorem and decomposition theorem) to polystable locally abelian parabolic Higgs bundles twisted by a multiplier ideal sheaf associated with an $\mathbb{R}$-divisor. This gives a uniform treatment for various kinds of Kollár's package in different topics in complex geometry. As applications, the weakly positivity (in the sense of Viehweg) and the generic vanishing property for higher direct image sheaves are deduced.

math.AG↗

arXiv2025

2D Quon Language: Unifying Framework for Cliffords, Matchgates, and Beyond

Simulating generic quantum states and dynamics is practically intractable using classical computers. However, certain special classes -- namely Clifford and matchgate circuits -- permit efficient computation. They provide invaluable tools for studying many-body physics, quantum chemistry, and quantum computation. While both play foundational roles across multiple disciplines, the origins of their tractability seem disparate, and their relationship remain unclear. A deeper understanding of such tractable classes could expand their scope and enable a wide range of new applications. In this work, we make progress toward the unified understanding of the Clifford and matchgate -- these two classes are, in fact, distinct special cases of a single underlying structure. Specifically, we introduce the 2D Quon language, which combines Majorana worldlines with their underlying spacetime topology to diagrammatically represent quantum processes and tensor networks. In full generality, the 2D Quon language is universal -- capable of representing arbitrary quantum states, dynamics, or tensor networks -- yet they become especially powerful in describing Clifford and matchgate classes. Each class can be efficiently characterized in a visually recognizable manner using the Quon framework. This capability naturally gives rise to several families of efficiently computable tensor networks introduced in this work: punctured matchgates, hybrid Clifford-matchgate-MPS, and ansatze generated from factories of tractable networks. All of these exhibit high non-Cliffordness, high non-matchgateness, and large bipartite entanglement entropy. We discuss a range of applications of our approach, from recovering well-known results such as the Kramers-Wannier duality and the star-triangle relation of the Ising model, to enabling variational optimization with novel ansatz states.

quant-ph↗

arXiv2025

QiMeng-TensorOp: Automatically Generating High-Performance Tensor Operators with Hardware Primitives

Computation-intensive tensor operators constitute over 90\% of the computations in Large Language Models (LLMs) and Deep Neural Networks.Automatically and efficiently generating high-performance tensor operators with hardware primitives is crucial for diverse and ever-evolving hardware architectures like RISC-V, ARM, and GPUs, as manually optimized implementation takes at least months and lacks portability.LLMs excel at generating high-level language codes, but they struggle to fully comprehend hardware characteristics and produce high-performance tensor operators. We introduce a tensor-operator auto-generation framework with a one-line user prompt (QiMeng-TensorOp), which enables LLMs to automatically exploit hardware characteristics to generate tensor operators with hardware primitives, and tune parameters for optimal performance across diverse hardware. Experimental results on various hardware platforms, SOTA LLMs, and typical tensor operators demonstrate that QiMeng-TensorOp effectively unleashes the computing capability of various hardware platforms, and automatically generates tensor operators of superior performance. Compared with vanilla LLMs, QiMeng-TensorOp achieves up to $1291 \times$ performance improvement. Even compared with human experts, QiMeng-TensorOp could reach $251 \%$ of OpenBLAS on RISC-V CPUs, and $124 \%$ of cuBLAS on NVIDIA GPUs. Additionally, QiMeng-TensorOp also significantly reduces development costs by $200 \times$ compared with human experts.

cs.LG↗

arXiv2025

XLD: A Cross-Lane Dataset for Benchmarking Novel Driving View Synthesis

Comprehensive testing of autonomous systems through simulation is essential to ensure the safety of autonomous driving vehicles. This requires the generation of safety-critical scenarios that extend beyond the limitations of real-world data collection, as many of these scenarios are rare or rarely encountered on public roads. However, evaluating most existing novel view synthesis (NVS) methods relies on sporadic sampling of image frames from the training data, comparing the rendered images with ground-truth images. Unfortunately, this evaluation protocol falls short of meeting the actual requirements in closed-loop simulations. Specifically, the true application demands the capability to render novel views that extend beyond the original trajectory (such as cross-lane views), which are challenging to capture in the real world. To address this, this paper presents a synthetic dataset for novel driving view synthesis evaluation, which is specifically designed for autonomous driving simulations. This unique dataset includes testing images captured by deviating from the training trajectory by $1-4$ meters. It comprises six sequences that cover various times and weather conditions. Each sequence contains $450$ training images, $120$ testing images, and their corresponding camera poses and intrinsic parameters. Leveraging this novel dataset, we establish the first realistic benchmark for evaluating existing NVS approaches under front-only and multicamera settings. The experimental findings underscore the significant gap in current approaches, revealing their inadequate ability to fulfill the demanding prerequisites of cross-lane or closed-loop simulation.

cs.CV↗

arXiv2025

OSMamba: Omnidirectional Spectral Mamba with Dual-Domain Prior Generator for Exposure Correction

Exposure correction is a fundamental problem in computer vision and image processing. Recently, frequency domain-based methods have achieved impressive improvement, yet they still struggle with complex real-world scenarios under extreme exposure conditions. This is due to the local convolutional receptive fields failing to model long-range dependencies in the spectrum, and the non-generative learning paradigm being inadequate for retrieving lost details from severely degraded regions. In this paper, we propose Omnidirectional Spectral Mamba (OSMamba), a novel exposure correction network that incorporates the advantages of state space models and generative diffusion models to address these limitations. Specifically, OSMamba introduces an omnidirectional spectral scanning mechanism that adapts Mamba to the frequency domain to capture comprehensive long-range dependencies in both the amplitude and phase spectra of deep image features, hence enhancing illumination correction and structure recovery. Furthermore, we develop a dual-domain prior generator that learns from well-exposed images to generate a degradation-free diffusion prior containing correct information about severely under- and over-exposed regions for better detail restoration. Extensive experiments on multiple-exposure and mixed-exposure datasets demonstrate that the proposed OSMamba achieves state-of-the-art performance both quantitatively and qualitatively.

eess.IV↗