arXiv subjects

Zhi Yang

Publications and source records attributed to Zhi Yang.

At least 37 records · Page 2Linked to original sources

arXiv2026

Property-driven Protein Inverse Folding With Multi-Objective Preference Alignment

Protein sequence design must balance designability, defined as the ability to recover a target backbone, with multiple, often competing, developability properties such as solubility, thermostability, and expression. Existing approaches address these properties through post hoc mutation, inference-time biasing, or retraining on property-specific subsets, yet they are target dependent and demand substantial domain expertise or careful hyperparameter tuning. In this paper, we introduce ProtAlign, a multi-objective preference alignment framework that fine-tunes pretrained inverse folding models to satisfy diverse developability objectives while preserving structural fidelity. ProtAlign employs a semi-online Direct Preference Optimization strategy with a flexible preference margin to mitigate conflicts among competing objectives and constructs preference pairs using in silico property predictors. Applied to the widely used ProteinMPNN backbone, the resulting model MoMPNN enhances developability without compromising designability across tasks including sequence design for CATH 4.3 crystal structures, de novo generated backbones, and real-world binder design scenarios, making it an appealing framework for practical protein sequence design.

cs.LG↗

arXiv2026

General Hamiltonian Approach to the $\mathbf{N}$-Body Finite-Volume Formalism: Extracting the $\mathbfω$ Resonance Parameters from Lattice QCD

We present a nonperturbative Hamiltonian framework (NPHF) to address the general $N$-body problem. This framework rigorously connects finite-volume spectra from lattice QCD to scattering observables from experiment. To demonstrate its applicability, we extract the resonance parameters of the $ω$ meson by simultaneously analyzing the isoscalar $3π$ and isovector $2π$ systems. The Hamiltonian unifies single-particle $ω$, two-particle $ρπ$, and three-particle $πππ$ dynamics within a single unitary formalism. Using leading lattice QCD spectra from the Chinese Lattice QCD Collaboration at $m_π$ = 208 and 305 MeV, we perform a fit in the isovector and isoscalar channels, accurately describe the lattice spectra and obtain robust determinations of the $ρ$ and $ω$ pole positions. This work establishes a foundational approach for extracting resonance dynamics from finite-volume spectra. Given the ubiquity of three-body dynamics in exotic hadrons, halo nuclei, and neutron star matter, this general formalism holds broad relevance across particle, nuclear, and astrophysical physics.

hep-lat↗

arXiv2026

Autonomous Algorithm Discovery for Ptychography via Evolutionary LLM Reasoning

Ptychography is a computational imaging technique widely used for high-resolution materials characterization, but high-quality reconstructions often require the use of regularization functions that largely remain manually designed. We introduce Ptychi-Evolve, an autonomous framework that uses large language models (LLMs) to discover and evolve novel regularization algorithms. The framework combines LLM-driven code generation with evolutionary mechanisms, including semantically-guided crossover and mutation. Experiments on three challenging datasets (X-ray integrated circuits, low-dose electron microscopy of apoferritin, and multislice imaging with crosstalk artifacts) demonstrate that discovered regularizers outperform conventional reconstructions, achieving up to +0.26 SSIM and +8.3~dB PSNR improvements. Besides, Ptychi-Evolve records algorithm lineage and evolution metadata, enabling interpretable and reproducible analysis of discovered regularizers.

cs.CE↗

arXiv2026

Spider-Sense: Intrinsic Risk Sensing for Efficient Agent Defense with Hierarchical Adaptive Screening

As large language models (LLMs) evolve into autonomous agents, their real-world applicability has expanded significantly, accompanied by new security challenges. Most existing agent defense mechanisms adopt a mandatory checking paradigm, in which security validation is forcibly triggered at predefined stages of the agent lifecycle. In this work, we argue that effective agent security should be intrinsic and selective rather than architecturally decoupled and mandatory. We propose Spider-Sense framework, an event-driven defense framework based on Intrinsic Risk Sensing (IRS), which allows agents to maintain latent vigilance and trigger defenses only upon risk perception. Once triggered, the Spider-Sense invokes a hierarchical defence mechanism that trades off efficiency and precision: it resolves known patterns via lightweight similarity matching while escalating ambiguous cases to deep internal reasoning, thereby eliminating reliance on external models. To facilitate rigorous evaluation, we introduce S$^2$Bench, a lifecycle-aware benchmark featuring realistic tool execution and multi-stage attacks. Extensive experiments demonstrate that Spider-Sense achieves competitive or superior defense performance, attaining the lowest Attack Success Rate (ASR) and False Positive Rate (FPR), with only a marginal latency overhead of 8.3\%.

cs.CR↗

arXiv2026

EvoFSM: Controllable Self-Evolution for Deep Research with Finite State Machines

While LLM-based agents have shown promise for deep research, most existing approaches rely on fixed workflows that struggle to adapt to real-world, open-ended queries. Recent work therefore explores self-evolution by allowing agents to rewrite their own code or prompts to improve problem-solving ability, but unconstrained optimization often triggers instability, hallucinations, and instruction drift. We propose EvoFSM, a structured self-evolving framework that achieves both adaptability and control by evolving an explicit Finite State Machine (FSM) instead of relying on free-form rewriting. EvoFSM decouples the optimization space into macroscopic Flow (state-transition logic) and microscopic Skill (state-specific behaviors), enabling targeted improvements under clear behavioral boundaries. Guided by a critic mechanism, EvoFSM refines the FSM through a small set of constrained operations, and further incorporates a self-evolving memory that distills successful trajectories as reusable priors and failure patterns as constraints for future queries. Extensive evaluations on five multi-hop QA benchmarks demonstrate the effectiveness of EvoFSM. In particular, EvoFSM reaches 58.0% accuracy on the DeepSearch benchmark. Additional results on interactive decision-making tasks further validate its generalization.

cs.AI↗

arXiv2026

BinaryDemoire: Moiré-Aware Binarization for Image Demoiréing

Image demoiréing aims to remove structured moiré artifacts in recaptured imagery, where degradations are highly frequency-dependent and vary across scales and directions. While recent deep networks achieve high-quality restoration, their full-precision designs remain costly for deployment. Binarization offers an extreme compression regime by quantizing both activations and weights to 1-bit. Yet, it has been rarely studied for demoiréing and performs poorly when naively applied. In this work, we propose BinaryDemoire, a binarized demoiréing framework that explicitly accommodates the frequency structure of moiré degradations. First, we introduce a moiré-aware binary gate (MABG) that extracts lightweight frequency descriptors together with activation statistics. It predicts channel-wise gating coefficients to condition the aggregation of binary convolution responses. Second, we design a shuffle-grouped residual adapter (SGRA) that performs structured sparse shortcut alignment. It further integrates interleaved mixing to promote information exchange across different channel partitions. Extensive experiments on four benchmarks demonstrate that the proposed BinaryDemoire surpasses current binarization methods. Code: https://github.com/zhengchen1999/BinaryDemoire.

cs.CV↗

arXiv2026

UniFinEval: Towards Unified Evaluation of Financial Multimodal Models across Text, Images and Videos

Multimodal large language models are playing an increasingly significant role in empowering the financial domain, however, the challenges they face, such as multimodal and high-density information and cross-modal multi-hop reasoning, go beyond the evaluation scope of existing multimodal benchmarks. To address this gap, we propose UniFinEval, the first unified multimodal benchmark designed for high-information-density financial environments, covering text, images, and videos. UniFinEval systematically constructs five core financial scenarios grounded in real-world financial systems: Financial Statement Auditing, Company Fundamental Reasoning, Industry Trend Insights, Financial Risk Sensing, and Asset Allocation Analysis. We manually construct a high-quality dataset consisting of 3,767 question-answer pairs in both chinese and english and systematically evaluate 10 mainstream MLLMs under Zero-Shot and CoT settings. Results show that Gemini-3-pro-preview achieves the best overall performance, yet still exhibits a substantial gap compared to financial experts. Further error analysis reveals systematic deficiencies in current models. UniFinEval aims to provide a systematic assessment of MLLMs' capabilities in fine-grained, high-information-density financial environments, thereby enhancing the robustness of MLLMs applications in real-world financial scenarios. Data and code are available at https://github.com/aifinlab/UniFinEval.

q-fin.GN↗

arXiv2025

RLinf: Flexible and Efficient Large-scale Reinforcement Learning via Macro-to-Micro Flow Transformation

Reinforcement learning (RL) has demonstrated immense potential in advancing artificial general intelligence, agentic intelligence, and embodied intelligence. However, the inherent heterogeneity and dynamicity of RL workflows often lead to low hardware utilization and slow training on existing systems. In this paper, we present RLinf, a high-performance RL training system based on our key observation that the major roadblock to efficient RL training lies in system flexibility. To maximize flexibility and efficiency, RLinf is built atop a novel RL system design paradigm called macro-to-micro flow transformation (M2Flow), which automatically breaks down high-level, easy-to-compose RL workflows at both the temporal and spatial dimensions, and recomposes them into optimized execution flows. Supported by RLinf worker's adaptive communication capability, we devise context switching and elastic pipelining to realize M2Flow transformation, and a profiling-guided scheduling policy to generate optimal execution plans. Extensive evaluations on both reasoning RL and embodied RL tasks demonstrate that RLinf consistently outperforms state-of-the-art systems, achieving $1.07\times-2.43\times$ speedup in end-to-end training throughput.

cs.LG↗

arXiv2025

Finite Volume Hamiltonian method for two-particle systems containing long-range potential on the lattice

We propose a systematic method to block-diagonalize the finite volume effective Hamiltonian for two-particle systems with arbitrary spin in both the rest and moving frame. The framework is convenient and efficient for addressing the left-hand cut issue arising from long-range potential, which are challenging in the framework of standard Lüscher formula. Furthermore, the method provides a foundation for further extension to three-particle systems. We first benchmark our method by examining several toy models, demonstrating its consistency with standard Lüscher formula in the absence of long-range potential. In the presence of long-range potential, we investigate and resolve the effects and issues of left-hand cut. As a realistic application, we calculate the finite volume spectra of isoscalar $D\bar{D}^*$ system, where the well-known exotic state $χ_{c1}(3872)$ is observed. The results are qualitatively consistent with the lattice QCD calculation, highlighting the reliability and potential application of our framework to the study of other exotic states in hadron physics.

hep-lat↗

arXiv2025

GCoDE: Efficient Device-Edge Co-Inference for GNNs via Architecture-Mapping Co-Search

Graph Neural Networks (GNNs) have emerged as the state-of-the-art graph learning method. However, achieving efficient GNN inference on edge devices poses significant challenges, limiting their application in real-world edge scenarios. This is due to the high computational cost of GNNs and limited hardware resources on edge devices, which prevent GNN inference from meeting real-time and energy requirements. As an emerging paradigm, device-edge co-inference shows potential for improving inference efficiency and reducing energy consumption on edge devices. Despite its potential, research on GNN device-edge co-inference remains scarce, and our findings show that traditional model partitioning methods are ineffective for GNNs. To address this, we propose GCoDE, the first automatic framework for GNN architecture-mapping Co-design and deployment on Device-Edge hierarchies. By abstracting the device communication process into an explicit operation, GCoDE fuses the architecture and mapping scheme in a unified design space for joint optimization. Additionally, GCoDE's system performance awareness enables effective evaluation of architecture efficiency across diverse heterogeneous systems. By analyzing the energy consumption of various GNN operations, GCoDE introduces an energy prediction method that improves energy assessment accuracy and identifies energy-efficient solutions. Using a constraint-based random search strategy, GCoDE identifies the optimal solution in 1.5 hours, balancing accuracy and efficiency. Moreover, the integrated co-inference engine in GCoDE enables efficient deployment and execution of GNN co-inference. Experimental results show that GCoDE can achieve up to 44.9x speedup and 98.2% energy reduction compared to existing approaches across diverse applications and system configurations.

cs.LG↗

arXiv2025

On the Fairness of Privacy Protection: Measuring and Mitigating the Disparity of Group Privacy Risks for Differentially Private Machine Learning

While significant progress has been made in conventional fairness-aware machine learning (ML) and differentially private ML (DPML), the fairness of privacy protection across groups remains underexplored. Existing studies have proposed methods to assess group privacy risks, but these are based on the average-case privacy risks of data records. Such approaches may underestimate the group privacy risks, thereby potentially underestimating the disparity across group privacy risks. Moreover, the current method for assessing the worst-case privacy risks of data records is time-consuming, limiting their practical applicability. To address these limitations, we introduce a novel membership inference game that can efficiently audit the approximate worst-case privacy risks of data records. Experimental results demonstrate that our method provides a more stringent measurement of group privacy risks, yielding a reliable assessment of the disparity in group privacy risks. Furthermore, to promote privacy protection fairness in DPML, we enhance the standard DP-SGD algorithm with an adaptive group-specific gradient clipping strategy, inspired by the design of canaries in differential privacy auditing studies. Extensive experiments confirm that our algorithm effectively reduces the disparity in group privacy risks, thereby enhancing the fairness of privacy protection in DPML.

cs.LG↗

arXiv2025

PsychBench: A comprehensive and professional benchmark for evaluating the performance of LLM-assisted psychiatric clinical practice

The advent of Large Language Models (LLMs) offers potential solutions to address problems such as shortage of medical resources and low diagnostic consistency in psychiatric clinical practice. Despite this potential, a robust and comprehensive benchmarking framework to assess the efficacy of LLMs in authentic psychiatric clinical environments is absent. This has impeded the advancement of specialized LLMs tailored to psychiatric applications. In response to this gap, by incorporating clinical demands in psychiatry and clinical data, we proposed a benchmarking system, PsychBench, to evaluate the practical performance of LLMs in psychiatric clinical settings. We conducted a comprehensive quantitative evaluation of 16 LLMs using PsychBench, and investigated the impact of prompt design, chain-of-thought reasoning, input text length, and domain-specific knowledge fine-tuning on model performance. Through detailed error analysis, we identified strengths and potential limitations of the existing models and suggested directions for improvement. Subsequently, a clinical reader study involving 60 psychiatrists of varying seniority was conducted to further explore the practical benefits of existing LLMs as supportive tools for psychiatrists of varying seniority. Through the quantitative and reader evaluation, we show that while existing models demonstrate significant potential, they are not yet adequate as decision-making tools in psychiatric clinical practice. The reader study further indicates that, as an auxiliary tool, LLM could provide particularly notable support for junior psychiatrists, effectively enhancing their work efficiency and overall clinical quality. To promote research in this area, we will make the dataset and evaluation framework publicly available, with the hope of advancing the application of LLMs in psychiatric clinical settings.

cs.CL↗

arXiv2025

A Survey on Employing Large Language Models for Text-to-SQL Tasks

With the development of the Large Language Models (LLMs), a large range of LLM-based Text-to-SQL(Text2SQL) methods have emerged. This survey provides a comprehensive review of LLM-based Text2SQL studies. We first enumerate classic benchmarks and evaluation metrics. For the two mainstream methods, prompt engineering and finetuning, we introduce a comprehensive taxonomy and offer practical insights into each subcategory. We present an overall analysis of the above methods and various models evaluated on well-known datasets and extract some characteristics. Finally, we discuss the challenges and future directions in this field.

cs.CL↗

arXiv2025

VoxAging: Continuously Tracking Speaker Aging with a Large-Scale Longitudinal Dataset in English and Mandarin

The performance of speaker verification systems is adversely affected by speaker aging. However, due to challenges in data collection, particularly the lack of sustained and large-scale longitudinal data for individuals, research on speaker aging remains difficult. In this paper, we present VoxAging, a large-scale longitudinal dataset collected from 293 speakers (226 English speakers and 67 Mandarin speakers) over several years, with the longest time span reaching 17 years (approximately 900 weeks). For each speaker, the data were recorded at weekly intervals. We studied the phenomenon of speaker aging and its effects on advanced speaker verification systems, analyzed individual speaker aging processes, and explored the impact of factors such as age group and gender on speaker aging research.

cs.SD↗

arXiv2025

ExploreGS: a vision-based low overhead framework for 3D scene reconstruction

This paper proposes a low-overhead, vision-based 3D scene reconstruction framework for drones, named ExploreGS. By using RGB images, ExploreGS replaces traditional lidar-based point cloud acquisition process with a vision model, achieving a high-quality reconstruction at a lower cost. The framework integrates scene exploration and model reconstruction, and leverags a Bag-of-Words(BoW) model to enable real-time processing capabilities, therefore, the 3D Gaussian Splatting (3DGS) training can be executed on-board. Comprehensive experiments in both simulation and real-world environments demonstrate the efficiency and applicability of the ExploreGS framework on resource-constrained devices, while maintaining reconstruction quality comparable to state-of-the-art methods.

eess.IV↗

arXiv2025

TileLang: A Composable Tiled Programming Model for AI Systems

Modern AI workloads rely heavily on optimized computing kernels for both training and inference. These AI kernels follow well-defined data-flow patterns, such as moving tiles between DRAM and SRAM and performing a sequence of computations on those tiles. However, writing high-performance kernels remains complex despite the clarity of these patterns. Achieving peak performance requires careful, hardware-centric optimizations to fully leverage modern accelerators. While domain-specific compilers attempt to reduce the burden of writing high-performance kernels, they often struggle with usability and expressiveness gaps. In this paper, we present TileLang, a generalized tiled programming model for more efficient AI Kernel programming. TileLang decouples scheduling space (thread binding, layout, tensorize and pipeline) from dataflow, and encapsulated them as a set of customization annotations and primitives. This approach allows users to focus on the kernel's data-flow itself, while leaving most other optimizations to compilers. We conduct comprehensive experiments on commonly-used devices, across numerous experiments, our evaluation shows that TileLang can achieve state-of-the-art performance in key kernels, demonstrating that its unified block-and-thread paradigm and transparent scheduling capabilities deliver both the power and flexibility demanded by modern AI system development.

cs.LG↗

arXiv2025

AttentionEngine: A Versatile Framework for Efficient Attention Mechanisms on Diverse Hardware Platforms

Transformers and large language models (LLMs) have revolutionized machine learning, with attention mechanisms at the core of their success. As the landscape of attention variants expands, so too do the challenges of optimizing their performance, particularly across different hardware platforms. Current optimization strategies are often narrowly focused, requiring extensive manual intervention to accommodate changes in model configurations or hardware environments. In this paper, we introduce AttentionEngine, a comprehensive framework designed to streamline the optimization of attention mechanisms across heterogeneous hardware backends. By decomposing attention computation into modular operations with customizable components, AttentionEngine enables flexible adaptation to diverse algorithmic requirements. The framework further automates kernel optimization through a combination of programmable templates and a robust cross-platform scheduling strategy. Empirical results reveal performance gains of up to 10x on configurations beyond the reach of existing methods. AttentionEngine offers a scalable, efficient foundation for developing and deploying attention mechanisms with minimal manual tuning. Our code has been open-sourced and is available at https://github.com/microsoft/AttentionEngine.

cs.CL↗

arXiv2025

Data and System Perspectives of Sustainable Artificial Intelligence

Sustainable AI is a subfield of AI for concerning developing and using AI systems in ways of aiming to reduce environmental impact and achieve sustainability. Sustainable AI is increasingly important given that training of and inference with AI models such as large langrage models are consuming a large amount of computing power. In this article, we discuss current issues, opportunities and example solutions for addressing these issues, and future challenges to tackle, from the data and system perspectives, related to data acquisition, data processing, and AI model training and inference.

cs.AI↗