arXiv subjects

Yujie Liu

Publications and source records attributed to Yujie Liu.

At least 37 records · Page 2Linked to original sources

arXiv2026

A 44-minute periodic radio transient in a supernova remnant

Long-period radio transients (LPTs) are a newly discovered class of radio emitters with periods ranging from minutes to hours. The astrophysical nature remains undetermined, particularly of LPTs with no detectable companions. We report the first evidence for a plausible supernova remnant (SNR) association with an LPT (DART J1832-0911, 2656.23+-0.15 s period), which supports a neutron star origin of such objects. The dispersion measure of this LPT, SNR's CO emission and HI absorption, and low probability of chance of alignment with field pulsars are all consistent with such an association. The source displays either phase-locked circular or nearly 100\% linear polarization, indicating its strong and geometrically stable magnetic field. No detectable optical counterpart was found, even with a 10m-class telescope. The SNR association and the stable polarization suggest that DART J1832-0911 most likely originates from a young neutron star, whose spin could have been braked by supernova's fallback materials. This discovery provides critical insights into the nature of ultra-long period transients and their link to stellar remnants.

astro-ph.HE↗

arXiv2026

LLM-driven discovery for carbon allotropes with bond-network entropy

The discovery of novel carbon allotropes with tailored thermal and mechanical properties is critical for advanced thermal management. However, exploring the vast configurational space of carbon using \textit{ab initio} calculations remains computationally prohibitive. Driven by the rich topological landscape of carbon, where the competition between $sp, sp^2,$ and $sp^3$ hybridization states dictates material performance, we establish a closed-loop AI framework to explore this complex configurational space. We introduce a hybridization entropy descriptor to guide the search beyond conventional forms. Here, we establish a closed-loop AI framework that synergizes a Large Language Model (LLM) for structural generation with a Machine Learning Potential (MLP) for accelerated evaluation. Leveraging CrystaLLM to generate candidates and an iteratively refined MLP for high-fidelity validation, we screened thousands of structures to identify several stable allotropes with exotic properties. Specifically, we report ``yne-diamond C$_{12}$'' and ``yne-hex-diamond C$_{8}$'', which exhibit extreme thermal anisotropy and ultralow in-plane shear stiffness arising from their mixed $sp$-$sp^3$ hybridization. Furthermore, we discovered a complex $sp$-$sp^2$-$sp^3$ hybridized C$_{12}$ phase that combines metallic conductivity with an anomalous negative Poisson's ratio. Notably, we identified a superhard phase (C16_3) possessing a calculated Vickers hardness (103.3 GPa) exceeding that of diamond 96 GPa). Microscopic analysis reveals that thermal transport in these materials is governed by the interplay between rigid frameworks and flexible linkers. This work expands the known carbon phase space and demonstrates the efficacy of coupling generative AI with machine learning potentials for the accelerated inverse design of functional materials.

cond-mat.mtrl-sci↗

arXiv2026

Dual-Mapping Sparse Vector Transmission for Short Packet URLLC

Sparse vector coding (SVC) is a promising short-packet transmission method for ultra reliable low latency communication (URLLC) in next generation communication systems. In this paper, a dual-mapping SVC (DM-SVC) based short packet transmission scheme is proposed to further enhance the transmission performance of SVC. The core idea behind the proposed scheme lies in mapping the transmitted information bits onto sparse vectors via block and single-element sparse mappings. The block sparse mapping pattern is able to concentrate the transmit power in a small number of non-zero blocks thus improving the decoding accuracy, while the single-element sparse mapping pattern ensures that the code length does not increase dramatically with the number of transmitted information bits. At the receiver, a two-stage decoding algorithm is proposed to sequentially identify non-zero block indexes and single-element non-zero indexes. Extensive simulation results verify that proposed DM-SVC scheme outperforms the existing SVC schemes in terms of block error rate and spectral efficiency.

eess.SP↗

arXiv2026

SciEvalKit: An Open-source Evaluation Toolkit for Scientific General Intelligence

We introduce SciEvalKit, a unified benchmarking toolkit designed to evaluate AI models for science across a broad range of scientific disciplines and task capabilities. Unlike general-purpose evaluation platforms, SciEvalKit focuses on the core competencies of scientific intelligence, including Scientific Multimodal Perception, Scientific Multimodal Reasoning, Scientific Multimodal Understanding, Scientific Symbolic Reasoning, Scientific Code Generation, Science Hypothesis Generation and Scientific Knowledge Understanding. It supports six major scientific domains, spanning from physics and chemistry to astronomy and materials science. SciEvalKit builds a foundation of expert-grade scientific benchmarks, curated from real-world, domain-specific datasets, ensuring that tasks reflect authentic scientific challenges. The toolkit features a flexible, extensible evaluation pipeline that enables batch evaluation across models and datasets, supports custom model and dataset integration, and provides transparent, reproducible, and comparable results. By bridging capability-based evaluation and disciplinary diversity, SciEvalKit offers a standardized yet customizable infrastructure to benchmark the next generation of scientific foundation models and intelligent agents. The toolkit is open-sourced and actively maintained to foster community-driven development and progress in AI4Science.

cs.AI↗

arXiv2025

Origin of shallow n-type doping in AlN and Al-rich AlGaN

Achieving efficient n-type doping in AlN, a representative ultrawide bandgap (UWBG) semiconductor, remains a longstanding challenge that limits its application in high-power electronics and deep-ultraviolet optoelectronics. Conventional dopants in AlN often introduce deep levels or form compensating complexes, leading to low free-carrier concentrations. In this work, we combine first-principles defect calculations with a structural search method tailored to explore metastable configurations to systematically investigate donor-type defects in AlN. Our results reveal that the aluminum interstitial ($Al_i$) can exhibit shallow-donor behavior in specific metastable configurations that were previously overlooked. This discovery expands the understanding of n-type dopability in AlN, and highlights the critical role of metastable defects in modulating electronic properties.

cond-mat.mtrl-sci↗

arXiv2025

Automating Hardware Design and Verification from Architectural Papers via a Neural-Symbolic Graph Framework

The reproduction of hardware architectures from academic papers remains a significant challenge due to the lack of publicly available source code and the complexity of hardware description languages (HDLs). To this end, we propose \textbf{ArchCraft}, a Framework that converts abstract architectural descriptions from academic papers into synthesizable Verilog projects with register-transfer level (RTL) verification. ArchCraft introduces a structured workflow, which uses formal graphs to capture the Architectural Blueprint and symbols to define the Functional Specification, translating unstructured academic papers into verifiable, hardware-aware designs. The framework then generates RTL and testbench (TB) code decoupled via these symbols to facilitate verification and debugging, ultimately reporting the circuit's Power, Area, and Performance (PPA). Moreover, we propose the first benchmark, \textbf{ArchSynthBench}, for synthesizing hardware from architectural descriptions, with a complete set of evaluation indicators, 50 project-level circuits, and around 600 circuit blocks. We systematically assess ArchCraft on ArchSynthBench, where the experiment results demonstrate the superiority of our proposed method, surpassing direct generation methods and the VerilogCoder framework in both paper understanding and code completion. Furthermore, evaluation and physical implementation of the generated executable RTL code show that these implementations meet all timing constraints without violations, and their performance metrics are consistent with those reported in the original papers.

cs.CL↗

arXiv2025

Machine learning-driven elasticity prediction in advanced inorganic materials via convolutional neural networks

Inorganic crystal materials have broad application potential due to excellent physical and chemical properties, with elastic properties (shear modulus, bulk modulus) crucial for predicting materials' electrical conductivity, thermal conductivity and mechanical properties. Traditional experimental measurement suffers from high cost and low efficiency, while theoretical simulation and graph neural network-based machine learning methods--especially crystal graph convolutional neural networks (CGCNNs)--have become effective alternatives, achieving remarkable results in predicting material elastic properties. This study trained two CGCNN models using shear modulus and bulk modulus data of 10987 materials from the Matbench v0.1 dataset, which exhibit high accuracy (mean absolute error <13, coefficient of determination R-squared close to 1) and good generalization ability. Materials were screened to retain those with band gaps between 0.1-3.0 eV and exclude radioactive element-containing compounds. The final predicted dataset comprises two parts: 54359 crystal structures from the Materials Project database and 26305 crystal structures discovered by Merchant et al. (2023 Nature 624 80). Ultimately, this study completed the prediction of shear modulus and bulk modulus for 80664 inorganic crystals. This work enriches existing material elastic data resources and provides robust support for material design, with all data openly available at https://doi.org/10.57760/sciencedb.j00213.00104.

cond-mat.mtrl-sci↗

arXiv2025

MOOSE-Chem2: Exploring LLM Limits in Fine-Grained Scientific Hypothesis Discovery via Hierarchical Search

Large language models (LLMs) have shown promise in automating scientific hypothesis generation, yet existing approaches primarily yield coarse-grained hypotheses lacking critical methodological and experimental details. We introduce and formally define the new task of fine-grained scientific hypothesis discovery, which entails generating detailed, experimentally actionable hypotheses from coarse initial research directions. We frame this as a combinatorial optimization problem and investigate the upper limits of LLMs' capacity to solve it when maximally leveraged. Specifically, we explore four foundational questions: (1) how to best harness an LLM's internal heuristics to formulate the fine-grained hypothesis it itself would judge as the most promising among all the possible hypotheses it might generate, based on its own internal scoring-thus defining a latent reward landscape over the hypothesis space; (2) whether such LLM-judged better hypotheses exhibit stronger alignment with ground-truth hypotheses; (3) whether shaping the reward landscape using an ensemble of diverse LLMs of similar capacity yields better outcomes than defining it with repeated instances of the strongest LLM among them; and (4) whether an ensemble of identical LLMs provides a more reliable reward landscape than a single LLM. To address these questions, we propose a hierarchical search method that incrementally proposes and integrates details into the hypothesis, progressing from general concepts to specific experimental configurations. We show that this hierarchical process smooths the reward landscape and enables more effective optimization. Empirical evaluations on a new benchmark of expert-annotated fine-grained hypotheses from recent literature show that our method consistently outperforms strong baselines.

cs.CL↗

arXiv2025

Can Knowledge-Graph-based Retrieval Augmented Generation Really Retrieve What You Need?

Retrieval-Augmented Generation (RAG) based on knowledge graphs (KGs) enhances large language models (LLMs) by providing structured and interpretable external knowledge. However, existing KG-based RAG methods struggle to retrieve accurate and diverse information from text-rich KGs for complex real-world queries. Process Reward Models (PRMs) offer a way to align the retrieval process of KG-based RAG with query-specific knowledge requirements, but they heavily rely on process-level supervision signals that are expensive and hard to obtain on KGs. To address this challenge, we propose GraphFlow, a framework that efficiently retrieves accurate and diverse knowledge required for real-world queries from text-rich KGs. GraphFlow employs a transition-based flow matching objective to jointly optimize a retrieval policy and a flow estimator. The flow estimator factorizes the reward of the retrieval outcome into the intermediate retrieval states. Such reward factorization guides the retrieval policy to retrieve candidates from KGs in proportion to their reward. This allows GraphFlow to explore high-quality regions of KGs that yield diverse and relevant results. We evaluate GraphFlow on the STaRK benchmark, which includes real-world queries from multiple domains over text-rich KGs. GraphFlow outperforms strong KG-RAG baselines, including GPT-4o, by 10% on average in hit rate and recall. It also shows strong generalization to unseen KGs, demonstrating its effectiveness and robustness.

cs.AI↗

arXiv2025

Isolating Compiler Bugs through Compilation Steps Analysis

Compilers are essential to software systems, and their bugs can propagate to dependent software. Ensuring compiler correctness is critical. However, isolating compiler bugs remains challenging due to the internal complexity of compiler execution. Existing techniques primarily mutate compilation inputs to generate passing and failing tests, but often lack causal analysis of internal steps, limiting their effectiveness. To address this limitation, we propose CompSCAN, a novel compiler bug isolation technique that applies analysis over the sequence of compilation steps. CompSCAN follows a three-stage process: (1) extracting the array of compilation steps that leads to the original failure, (2) identifying bug-causing steps and collecting corresponding compiler code elements, and (3) calculating suspicious scores for each code element and outputting a suspicious ranking list as the bug isolation result. We evaluate CompSCAN on 185 real-world LLVM and GCC bugs. Results show that CompSCAN outperforms state-of-the-art techniques in both effectiveness and efficiency. CompSCAN successfully isolates 50, 85, 100, and 123 bugs within the Top-1/3/5/10 ranks, respectively. Compared with ETEM and ODFL, two state-of-the-art compiler bug isolation techniques, CompSCAN achieves relative improvements of 44.51% / 50.18% / 36.24% / 24.49% over ETEM, and 31.58% / 49.12% / 44.93% / 21.78% over ODFL on those metrics. Moreover, CompSCAN runs faster on average per bug than both baselines.

cs.SE↗

arXiv2025

CPCLDETECTOR: Knowledge Enhancement and Alignment Selection for Chinese Patronizing and Condescending Language Detection

Chinese Patronizing and Condescending Language (CPCL) is an implicitly discriminatory toxic speech targeting vulnerable groups on Chinese video platforms. The existing dataset lacks user comments, which are a direct reflection of video content. This undermines the model's understanding of video content and results in the failure to detect some CPLC videos. To make up for this loss, this research reconstructs a new dataset PCLMMPLUS that includes 103k comment entries and expands the dataset size. We also propose the CPCLDetector model with alignment selection and knowledge-enhanced comment content modules. Extensive experiments show the proposed CPCLDetector outperforms the SOTA on PCLMM and achieves higher performance on PCLMMPLUS . CPLC videos are detected more accurately, supporting content governance and protecting vulnerable groups. Code and dataset are available at https://github.com/jiaxunyang256/PCLD.

cs.MM↗

arXiv2025

Same-group element replacement enhances superconductivity in clathrate-like YH4

H3S, LaH10, and hydrogen-based compounds have garnered significant interest due to their high-temperature superconducting properties. However, the requirement for extremely high pressures limits their practical applications. In this study, YH4 is adopted as a base material, with partial substitution of Yttrium (Y) by Scandium (Sc), Lanthanum (La), and Zirconium (Zr). Pure YH4, stable at 120 GPa, exhibits a critical temperature (Tc) of 84-95 K. Substituting half of the Y atoms increases Tc to 124.43 K for (Y,Sc)H4 at 100 GPa but reduces it to 101.24 K for (Y,La)H4 at 120 GPa. In contrast, (Y,Zr)H4 at 200 GPa shows a further suppressed Tc of 69.55 K. The remarkable superconductivity in (Y,Sc)H4 might be related to its unique phonon dispersion without optical-acoustic gap, compressed Y-H bonds, and significant electron delocalization under pressure, collectively boosting electron-phonon interactions. Furthermore, the lowest optical phonons play a crucial role in the superconductivity of these materials. This work suggests that substituting Y with same-group metal elements is an effective strategy to enhance Tc in hydride superconductors.

cond-mat.supr-con↗

arXiv2025

DA-Mamba: Dialogue-aware selective state-space model for multimodal engagement estimation

Human engagement estimation in conversational scenarios is essential for applications such as adaptive tutoring, remote healthcare assessment, and socially aware human--computer interaction. Engagement is a dynamic, multimodal signal conveyed by facial expressions, speech, gestures, and behavioral cues over time. In this work we introduce DA-Mamba, a dialogue-aware multimodal architecture that replaces attention-heavy dialogue encoders with Mamba-based selective state-space processing to achieve linear time and memory complexity while retaining expressive cross-modal reasoning. We design a Mamba dialogue-aware selective state-space model composed of three core modules: a Dialogue-Aware Encoder, and two Mamba-based fusion mechanisms: Modality-Group Fusion and Partner-Group Fusion, these modules achieve expressive dialogue understanding. Extensive experiments on three standard benchmarks (NoXi, NoXi-Add, and MPIIGI) show that DA-Mamba surpasses prior state-of-the-art (SOTA) methods in concordance correlation coefficient (CCC), while reducing training time and peak memory; these gains enable processing much longer sequences and facilitate real-time deployment in resource-constrained, multi-party conversational settings. The source code will be available at: https://github.com/kksssssss-ssda/MMEA.

cs.AI↗

arXiv2025

DFT-s-OFDM with Chirp Modulation

In this paper, a new waveform called discrete Fourier transform spread orthogonal frequency division multiplexing with chirp modulation (DFT-s-OFDM-CM) is proposed for the next generation of wireless communications. The information bits are conveyed by not only Q-ary constellation symbols but also the starting frequency of chirp signal. It could maintain the benefits provided by the chirped discrete Fourier transform spread orthogonal frequency division multiplexing (DFT-s-OFDM), e.g., low peak-to-average power ratio (PAPR), full frequency diversity exploitation, etc. Simulation results confirm that the proposed DFT-s-OFDM-CM could achieve higher spectral efficiency while keeping the similar bit error rate (BER) to that of chirped DFT-s-OFDM. In addition, when maintaining the same spectral efficiency, the proposed DFT-s-OFDM-CM with the splitting of information bits into two streams enables the use of lower-order constellation modulation and offers greater resilience to noise, resulting in a lower BER than the chirped DFT-s-OFDM.

eess.SP↗

arXiv2025

GCL-GCN: Graphormer and Contrastive Learning Enhanced Attributed Graph Clustering Network

Attributed graph clustering holds significant importance in modern data analysis. However, due to the complexity of graph data and the heterogeneity of node attributes, leveraging graph information for clustering remains challenging. To address this, we propose a novel deep graph clustering model, GCL-GCN, specifically designed to address the limitations of existing models in capturing local dependencies and complex structures when dealing with sparse and heterogeneous graph data. GCL-GCN introduces an innovative Graphormer module that combines centrality encoding and spatial relationships, effectively capturing both global and local information between nodes, thereby enhancing the quality of node representations. Additionally, we propose a novel contrastive learning module that significantly enhances the discriminative power of feature representations. In the pre-training phase, this module increases feature distinction through contrastive learning on the original feature matrix, ensuring more identifiable initial representations for subsequent graph convolution and clustering tasks. Extensive experimental results on six datasets demonstrate that GCL-GCN outperforms 14 advanced methods in terms of clustering quality and robustness. Specifically, on the Cora dataset, it improves ACC, NMI, and ARI by 4.94%, 13.01%, and 10.97%, respectively, compared to the primary comparison method MBN.

cs.LG↗

arXiv2025

Attributed Graph Clustering with Multi-Scale Weight-Based Pairwise Coarsening and Contrastive Learning

This study introduces the Multi-Scale Weight-Based Pairwise Coarsening and Contrastive Learning (MPCCL) model, a novel approach for attributed graph clustering that effectively bridges critical gaps in existing methods, including long-range dependency, feature collapse, and information loss. Traditional methods often struggle to capture high-order graph features due to their reliance on low-order attribute information, while contrastive learning techniques face limitations in feature diversity by overemphasizing local neighborhood structures. Similarly, conventional graph coarsening methods, though reducing graph scale, frequently lose fine-grained structural details. MPCCL addresses these challenges through an innovative multi-scale coarsening strategy, which progressively condenses the graph while prioritizing the merging of key edges based on global node similarity to preserve essential structural information. It further introduces a one-to-many contrastive learning paradigm, integrating node embeddings with augmented graph views and cluster centroids to enhance feature diversity, while mitigating feature masking issues caused by the accumulation of high-frequency node weights during multi-scale coarsening. By incorporating a graph reconstruction loss and KL divergence into its self-supervised learning framework, MPCCL ensures cross-scale consistency of node representations. Experimental evaluations reveal that MPCCL achieves a significant improvement in clustering performance, including a remarkable 15.24% increase in NMI on the ACM dataset and notable robust gains on smaller-scale datasets such as Citeseer, Cora and DBLP.

cs.LG↗

arXiv2025

Multimodal-Guided Dynamic Dataset Pruning for Robust and Efficient Data-Centric Learning

Modern deep models are trained on large real-world datasets, where data quality varies and redundancy is common. Data-centric approaches such as dataset pruning have shown promise in improving training efficiency and model performance. However, most existing methods rely on static heuristics or task-specific metrics, limiting their robustness and generalizability across domains. In this work, we introduce a dynamic dataset pruning framework that adaptively selects training samples based on both task-driven difficulty and cross-modality semantic consistency. By incorporating supervision from pretrained multimodal foundation models, our approach captures training dynamics while effectively filtering out uninformative samples. Our work highlights the potential of integrating cross-modality alignment for robust sample selection, advancing data-centric learning toward more efficient and robust practices across application domains.

cs.LG↗

arXiv2025

Electronic structure and defect properties of Bi-doped GaN: origins of photoluminescence and optical absorption

Extreme lattice-mismatched III-V nitrides, such as Bi-incorporated GaN, have been realized experimentally thanks to recent advances in epitaxial growth and characterization techniques. However, theoretical insights into defect-related optical absorption and emission phenomena in these materials remain scarce. Here, we apply hybrid density functional theory to systematically explore the role of substitutional bismuth atoms on both cationic $\mathrm{Bi_{Ga}}$ and anionic $\mathrm{Bi_{N}}$ sites in Bi-incorporated GaN, as well as their complexes with native vacancies. Our calculations reveal that the charge-compensated defect complexes $(\mathrm{Bi_{N}} + \mathrm{V_{Ga}})^{3-}$ and $(\mathrm{Bi_{N}} + \mathrm{V_{Ga}})^{3+}$ stabilize anionic bismuth incorporation, accounting for the experimentally observed absorption peaks at ~1.11 eV and ~3.17 eV. We further uncover the origins of the reported band-edge emissions near 2.0 eV and 2.5 eV by examining various charge states of $\mathrm{Bi_{Ga}}$ and $\mathrm{Bi_{N}}$ centers. Our findings elucidate the defect-level physics of Bi-doped GaN and provide practical guidelines for controlling the incorporation of Bi into GaN.

cond-mat.mtrl-sci↗