arXiv subjects

Cong Liu

Publications and source records attributed to Cong Liu.

At least 73 records · Page 4Linked to original sources

arXiv2025

Frame-based Equivariant Diffusion Models for 3D Molecular Generation

Recent methods for molecular generation face a trade-off: they either enforce strict equivariance with costly architectures or relax it to gain scalability and flexibility. We propose a frame-based diffusion paradigm that achieves deterministic E(3)-equivariance while decoupling symmetry handling from the backbone. Building on this paradigm, we investigate three variants: Global Frame Diffusion (GFD), which assigns a shared molecular frame; Local Frame Diffusion (LFD), which constructs node-specific frames and benefits from additional alignment constraints; and Invariant Frame Diffusion (IFD), which relies on pre-canonicalized invariant representations. To enhance expressivity, we further utilize EdgeDiT, a Diffusion Transformer with edge-aware attention. On the QM9 dataset, GFD with EdgeDiT achieves state-of-the-art performance, with a test NLL of -137.97 at standard scale and -141.85 at double scale, alongside atom stability of 98.98%, and molecular stability of 90.51%. These results surpass all equivariant baselines while maintaining high validity and uniqueness and nearly 2x faster sampling compared to EDM. Altogether, our study establishes frame-based diffusion as a scalable, flexible, and physically grounded paradigm for molecular generation, highlighting the critical role of global structure preservation.

cs.LG↗

arXiv2025

MACE: A Hybrid LLM Serving System with Colocated SLO-aware Continuous Retraining Alignment

Large language models (LLMs) deployed on edge servers are increasingly used in latency-sensitive applications such as personalized assistants, recommendation, and content moderation. However, the non-stationary nature of user data necessitates frequent retraining, which introduces a fundamental tension between inference latency and model accuracy under constrained GPU resources. Existing retraining strategies either delay model updates, over-commit resources to retraining, or overlook iteration-level retraining granularity. In this paper, we identify that iteration-level scheduling is crucial for adapting retraining frequency to model drift without violating service-level objectives (SLOs). We propose MACE, a hybrid LLM system that colocates concurrent inference (prefill, decode) and fine-tuning, with intelligent memory management to maximize task performance while promising inference throughput. MACE leverages the insight that not all model updates equally affect output alignment and allocates GPU cycles accordingly to balance throughput, latency, and update freshness. Our trace-driven evaluation shows that MACE matches or exceeds continuous retraining while reducing inference latency by up to 63% and maintaining throughput under resource constraints. Compared to periodic retraining, MACE improves latency breakdown across prefill, decode, and finetune stages, and sustains GPU utilization above 85% in NVIDIA AGX Orin. These results demonstrate that iteration-level hybrid scheduling is a promising direction for deploying LLMs with continual learning capabilities on edge platforms.

cs.LG↗

arXiv2025

Stabilization of Ferroelectric Hafnia and Zirconia through Y2O3 doping

We investigate the possible stabilization of ferroelectricity in bulk Y2O3-doped hafnia and zirconia. We use density functional theory (DFT) with large random supercells of hafnia and zirconia and study the relative phase stability of the centrosymmetric cubic and monoclinic phases compared with the polar orthorhombic phase. We find that Y2O3-doping stabilizes the polar ferroelectric phase over the monoclinic baddeleyite phase in both hafnia and zirconia.

cond-mat.mtrl-sci↗

arXiv2025

Thinking Before You Speak: A Proactive Test-time Scaling Approach

Large Language Models (LLMs) often exhibit deficiencies with complex reasoning tasks, such as maths, which we attribute to the discrepancy between human reasoning patterns and those presented in the LLMs' training data. When dealing with complex problems, humans tend to think carefully before expressing solutions. However, they often do not articulate their inner thoughts, including their intentions and chosen methodologies. Consequently, critical insights essential for bridging reasoning steps may be absent in training data collected from human sources. To bridge this gap, we proposes inserting \emph{insight}s between consecutive reasoning steps, which review the status and initiate the next reasoning steps. Unlike prior prompting strategies that rely on a single or a workflow of static prompts to facilitate reasoning, \emph{insight}s are \emph{proactively} generated to guide reasoning processes. We implement our idea as a reasoning framework, named \emph{Thinking Before You Speak} (TBYS), and design a pipeline for automatically collecting and filtering in-context examples for the generation of \emph{insight}s, which alleviates human labeling efforts and fine-tuning overheads. Experiments on challenging mathematical datasets verify the effectiveness of TBYS. Project website: https://gitee.com/jswrt/TBYS

cs.CL↗

arXiv2025

Collaborative Medical Triage under Uncertainty: A Multi-Agent Dynamic Matching Approach

The post-pandemic surge in healthcare demand, coupled with critical nursing shortages, has placed unprecedented pressure on medical triage systems, necessitating innovative AI-driven solutions. We present a multi-agent interactive intelligent system for medical triage that addresses three fundamental challenges in current AI-based triage systems: inadequate medical specialization leading to misclassification, heterogeneous department structures across healthcare institutions, and inefficient detail-oriented questioning that impedes rapid triage decisions. Our system employs three specialized agents--RecipientAgent, InquirerAgent, and DepartmentAgent--that collaborate through Inquiry Guidance mechanism and Classification Guidance Mechanism to transform unstructured patient symptoms into accurate department recommendations. To ensure robust evaluation, we constructed a comprehensive Chinese medical triage dataset from "Ai Ai Yi Medical Network", comprising 3,360 real-world cases spanning 9 primary departments and 62 secondary departments. Experimental results demonstrate that our multi-agent system achieves 89.6% accuracy in primary department classification and 74.3% accuracy in secondary department classification after four rounds of patient interaction. The system's dynamic matching based guidance mechanisms enable efficient adaptation to diverse hospital configurations while maintaining high triage accuracy. We successfully developed this multi-agent triage system that not only adapts to organizational heterogeneity across healthcare institutions but also ensures clinically sound decision-making.

cs.AI↗

arXiv2025

Dependence of halo properties on central-satellite magnitude gaps through weak lensing measurements

The magnitude gap between the central and satellite galaxies encodes information about the mass accretion history of a dark matter halo, and serves as a useful observational probe for the mass distribution in a halo. In this work, we perform the first weak lensing test of the connections between the magnitude gap and the halo profile. We measure the halo profiles of isolated central galaxies (ICGs) selected primarily from the SDSS Main Galaxy Sample. Halo mass and concentration are inferred by fitting stacked lensing profiles in bins of central luminosity, $L_\mathrm{c}$, and the central-satellite magnitude gap, $L_\mathrm{gap}$. We detect dependence on the magnitude gap in both halo properties. The dependence is the strongest in the ICG luminosity range of $10^{10.3}<L_\mathrm{c}[h^{-2}L_\odot]\leq 10^{10.7}$, where halos with smaller gaps have higher masses and lower concentrations. When $10^{10.7} <L_c[h^{-2}L_\odot] \leq 10^{11.1}$, however, no significant gap dependence is detected. In the range of $10^{9.9}<L_\mathrm{c}[h^{-2}L_\odot] \leq 10^{10.3}$, a disordering of the gap dependence is marginally observable. We compare the observational results with predictions by two lightcone catalogs built from the Illustris TNG300 and the Millennium simulations. The gap dependence in the two mock samples show overall consistency with observations, but neither matches them in all $L_\mathrm{c}$ bins to a quantitative level. We also compare the significance of the gap dependence on halo mass and concentration and find that our measurement prefers gap dependence in both parameters, while the halo mass dependence is preferred over the concentration if only one of the two dependencies is allowed.

astro-ph.CO↗

arXiv2025

LeMix: Unified Scheduling for LLM Training and Inference on Multi-GPU Systems

Modern deployment of large language models (LLMs) frequently involves both inference serving and continuous retraining to stay aligned with evolving data and user feedback. Common practices separate these workloads onto distinct servers in isolated phases, causing substantial inefficiencies (e.g., GPU idleness) and delayed adaptation to new data in distributed settings. Our empirical analysis reveals that these inefficiencies stem from dynamic request arrivals during serving and workload heterogeneity in pipeline-parallel training. To address these challenges, we propose LeMix, a system for co-locating and managing concurrent LLM serving and training workloads. LeMix integrates offline profiling, execution prediction mechanisms, and runtime scheduling to dynamically adapt resource allocation based on workload characteristics and system conditions. By understanding task-specific behaviors and co-execution interference across shared nodes, LeMix improves utilization and serving quality without compromising serving responsiveness. Our evaluation shows that LeMix improves throughput by up to 3.53x, reduces inference loss by up to 0.61x, and delivers up to 2.12x higher response time SLO attainment over traditional separate setups. To our knowledge, this is the first work to uncover and exploit the opportunities of joint LLM inference and training, paving the way for more resource-efficient deployment of LLMs in production environments.

cs.AI↗

arXiv2025

TACOS: Open Tagging and Comparative Scoring for Instruction Fine-Tuning Data Selection

Instruction Fine-Tuning (IFT) is crucial for aligning large language models (LLMs) with human preferences, and selecting a small yet representative subset from massive data significantly facilitates IFT in terms of both efficiency and effectiveness. Nevertheless, existing approaches suffer from two limitations: the use of simple heuristics restricts data diversity, while the singleton data quality evaluation accounts for inconsistent criteria between independent samples. To address the issues, we present TACOS, an innovative method that integrates Open Tagging and Comparative Scoring for IFT data selection. To capture data diversity, we leverage LLMs to assign open-domain tags to human queries, followed by a normalization stage to denoise the open tags and enable efficient clustering. Additionally, we suggest a comparative scoring method that allows the relative quality evaluation of samples within a cluster, avoiding inconsistent criteria seen in singleton-based evaluations. Extensive experiments across diverse datasets and LLM architectures demonstrate that TACOS outperforms existing approaches by a large margin. Notably, it achieves superior instruction-following performance on MT-Bench and ranks 1st among LLaMA2-7B-Based models on AlpacaEval 2.0, illustrating its efficacy for IFT data selection.

cs.CL↗

arXiv2025

The Dependence of Dark Matter Halo Properties on the Morphology of Their Central Galaxies from Weak Lensing

Xu \& Jing reported a monotonic relationship between host halo mass $M_h$ and the morphology of massive central galaxies, characterized by the Sérsic index $n$, at fixed stellar mass, suggesting that morphology could serve as a good secondary proxy for halo mass. Since their results were derived using the indirect abundance matching method, we further investigate the connection between halo properties and central galaxy morphology using weak gravitational lensing. We apply galaxy-galaxy lensing to measure the excess surface density around CMASS central galaxies with stellar masses in the range of $11.3 < \log M_*/{\rm M_\odot} < 11.7$, using the HSC shear catalog processed through the Fourier\_Quad pipeline. By dividing the sample based on $n$, we confirm a positive correlation between $n$ and $M_h$, and observe a possible evidence of the positive correlation of $n$ and halo concentration. After accounting for color, we find that neither color nor morphology alone can determine halo mass, suggesting that a combination of both may serve as a better secondary proxy. In comparison to hydrodynamic simulations, we find that TNG300 produce much weaker correlations between $M_h$ and $n$. Furthermore, using SIMBA simulations with different feedback mode, we find jet-mode active galactic nuclei feedback might be related to the relationship of Sérsic index and halo mass.

astro-ph.GA↗

arXiv2025

Cool-Fusion: Fuse Large Language Models without Training

We focus on the problem of fusing two or more heterogeneous large language models (LLMs) to leverage their complementary strengths. One of the challenges of model fusion is high computational load, specifically in fine-tuning or aligning vocabularies. To address this, we propose Cool-Fusion, a simple yet effective approach that fuses the knowledge of source LLMs, which does not require training. Unlike ensemble methods, Cool-Fusion is applicable to any set of source LLMs that have different vocabularies. To overcome the vocabulary discrepancies among LLMs, we ensemble LLMs on text level, allowing them to rerank the generated texts by each other with different granularities. Extensive experiments have been conducted across a variety of benchmark datasets. On GSM8K, Cool-Fusion increases accuracy from three strong source LLMs by a significant margin of 17.4\%.

cs.CL↗

arXiv2025

Chain of Methodologies: Scaling Test Time Computation without Training

Large Language Models (LLMs) often struggle with complex reasoning tasks due to insufficient in-depth insights in their training data, which are typically absent in publicly available documents. This paper introduces the Chain of Methodologies (CoM), an innovative and intuitive prompting framework that enhances structured thinking by integrating human methodological insights, enabling LLMs to tackle complex tasks with extended reasoning. CoM leverages the metacognitive abilities of advanced LLMs, activating systematic reasoning throught user-defined methodologies without explicit fine-tuning. Experiments show that CoM surpasses competitive baselines, demonstrating the potential of training-free prompting methods as robust solutions for complex reasoning tasks and bridging the gap toward human-level reasoning through human-like methodological insights.

cs.CL↗

arXiv2025

Understanding and Mitigating Network Latency Effect on Teleoperated-Robot with Extended Reality

Robot teleoperation with extended reality (XR teleoperation) enables intuitive interaction by allowing remote robots to mimic user motions with real-time 3D feedback. However, existing systems face significant motion-to-motion (M2M) latency--the delay between the user's latest motion and the corresponding robot feedback--leading to high teleoperation error and mission completion time. This issue stems from the system's exclusive reliance on network communication, making it highly vulnerable to network degradation. To address these challenges, we introduce TeleXR, the first end-to-end, fully open-sourced XR teleoperation framework that decouples robot control and XR visualization from network dependencies. TeleXR leverages local sensing data to reconstruct delayed or missing information of the counterpart, thereby significantly reducing network-induced issues. This approach allows both the XR and robot to run concurrently with network transmission while maintaining high robot planning accuracy. TeleXR also features contention-aware scheduling to mitigate GPU contention and bandwidth-adaptive point cloud scaling to cope with limited bandwidth.

cs.RO↗

arXiv2025

A Silicon Microstrip Detector for Power-Limited and Large Sensitive Area Applications

A silicon microstrip detector (SSD) has been developed to have state of the art spatial resolution and a large sensitive area under stringent power constraints. The design incorporates three floating strips with their bias resistors inserted between two aluminum readout strips. Beam test measurements with the single sensor confirmed that this configuration achieves a total detection efficiency of $99.8 \, \%$ and spatial resolution $7.6 \, \mathrm{μm}$ for MIPs. A double-$η$ algorithm was developed to optimize hit position reconstruction for this SSD. The design can be adapted for large area silicon detectors.

physics.ins-det↗

arXiv2025

Simulation of radiation damage effect on silicon detectors using RASER

Silicon detectors play a crucial role in high energy physics experiments. In future high energy physics experiments, silicon detectors will be exposed to extremely high fluence environment, which can significantly affect their performance. It is important to understand the electrical behavior of detectors after irradiation. In this study, an irradiation simulation framework is constructed in RASER to simulate leakage current and charge collection effciency. The defect parameters are obtained from the Hamburg penta trap model (HPTM). Based on this work, we predict the similar silicon inner tracker which under a ten-year CEPC Higgs mode run can still maintain over 90% charge collection efficiency.

physics.ins-det↗

arXiv2025

Clifford Group Equivariant Diffusion Models for 3D Molecular Generation

This paper explores leveraging the Clifford algebra's expressive power for $\E(n)$-equivariant diffusion models. We utilize the geometric products between Clifford multivectors and the rich geometric information encoded in Clifford subspaces in \emph{Clifford Diffusion Models} (CDMs). We extend the diffusion process beyond just Clifford one-vectors to incorporate all higher-grade multivector subspaces. The data is embedded in grade-$k$ subspaces, allowing us to apply latent diffusion across complete multivectors. This enables CDMs to capture the joint distribution across different subspaces of the algebra, incorporating richer geometric information through higher-order features. We provide empirical results for unconditional molecular generation on the QM9 dataset, showing that CDMs provide a promising avenue for generative modeling.

cs.LG↗

arXiv2025

Enabling Multireference Calculations on Multi-Metallic Systems with Graphic Processing Units

Modeling multimetallic systems efficiently enables faster prediction of desirable chemical properties and design of new materials. This work describes an initial implementation for performing multireference wave function method localized active space self-consistent field (LASSCF) calculations through the use of multiple graphics processing units (GPUs) to accelerate time-to-solution. Density fitting is leveraged to reduce memory requirements, and we demonstrate the ability to fully utilize multi-GPU compute nodes. Performance improvements of 5-10x in total application runtime were observed in LASSCF calculations for multimetallic catalyst systems up to 1200 AOs and an active space of (22e,40o) using up to four NVIDIA A100 GPUs. Written with performance portability in mind, comparable performance is also observed in early runs on the Aurora exascale system using Intel Max Series GPUs.

physics.comp-ph↗

arXiv2025

Exploring Part-Informed Visual-Language Learning for Person Re-Identification

Recently, visual-language learning (VLL) has shown great potential in enhancing visual-based person re-identification (ReID). Existing VLL-based ReID methods typically focus on image-text feature alignment at the whole-body level, while neglecting supervision on fine-grained part features, thus lacking constraints for local feature semantic consistency. To this end, we propose Part-Informed Visual-language Learning ($π$-VL) to enhance fine-grained visual features with part-informed language supervisions for ReID tasks. Specifically, $π$-VL introduces a human parsing-guided prompt tuning strategy and a hierarchical visual-language alignment paradigm to ensure within-part feature semantic consistency. The former combines both identity labels and human parsing maps to constitute pixel-level text prompts, and the latter fuses multi-scale visual features with a light-weight auxiliary head to perform fine-grained image-text alignment. As a plug-and-play and inference-free solution, our $π$-VL achieves performance comparable to or better than state-of-the-art methods on four commonly used ReID benchmarks. Notably, it reports 91.0% Rank-1 and 76.9% mAP on the challenging MSMT17 database, without bells and whistles.

cs.CV↗

arXiv2025

Dr Genre: Reinforcement Learning from Decoupled LLM Feedback for Generic Text Rewriting

Generic text rewriting is a prevalent large language model (LLM) application that covers diverse real-world tasks, such as style transfer, fact correction, and email editing. These tasks vary in rewriting objectives (e.g., factual consistency vs. semantic preservation), making it challenging to develop a unified model that excels across all dimensions. Existing methods often specialize in either a single task or a specific objective, limiting their generalizability. In this work, we introduce a generic model proficient in factuality, stylistic, and conversational rewriting tasks. To simulate real-world user rewrite requests, we construct a conversational rewrite dataset, ChatRewrite, that presents ``natural''-sounding instructions, from raw emails using LLMs. Combined with other popular rewrite datasets, including LongFact for the factuality rewrite task and RewriteLM for the stylistic rewrite task, this forms a broad benchmark for training and evaluating generic rewrite models. To align with task-specific objectives, we propose Dr Genre, a Decoupled-reward learning framework for Generic rewriting, that utilizes objective-oriented reward models with a task-specific weighting. Evaluation shows that \approach delivers higher-quality rewrites across all targeted tasks, improving objectives including instruction following (agreement), internal consistency (coherence), and minimal unnecessary edits (conciseness).

cs.CL↗