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Yuxin Yang

Publications and source records attributed to Yuxin Yang.

At least 37 records · Page 2Linked to original sources

Foundational Correction of Z-Transform Theory: Restoring Mathematical Completeness in Sampled-Data Systems

This paper revisits the classical formulation of the Z-transform and its relationship to the inverse Laplace transform (L-1), originally developed by Ragazzini in sampled-data theory. It identifies a longstanding mathematical oversight in standard derivations, which typically neglect the contribution from the infinite arc in the complex plane during inverse Laplace evaluation. This omission leads to inconsistencies, especially at discontinuities such as t = 0. By incorporating the full Bromwich contour, including all boundary contributions, we restore internal consistency between L-1 and the Z-transform, aligning the corrected L-1 with results from Discrete-Time Fourier Transform (DTFT) aliasing theory. Consequently, this necessitates a structural revision of the Z-transform, inverse Laplace transform, and the behavior of the Heaviside step function at discontinuities, providing a more accurate foundation for modeling and analysis of sampled-data systems.

eess.SY↗

A Quantum Framework for Protein Binding-Site Structure Prediction on Utility-Level Quantum Processors

Accurate prediction of protein active-site structures remains a central challenge in structural biology, particularly for short and flexible peptide fragments where conventional and simulation-based methods often fail. Here, we present a quantum computing framework specifically developed for utility-level quantum processors to address this problem. Starting from an amino acid sequence, we formulate structure prediction as a ground-state energy minimization problem using the Variational Quantum Eigensolver (VQE). Amino acid connectivity is encoded on a tetrahedral lattice model, and structural constraints-including steric, geometric, and chirality terms-are mapped into a problem-specific Hamiltonian represented as sparse Pauli operators. Optimization is performed with a two-stage architecture that separates energy estimation from measurement decoding, enabling noise mitigation under realistic device conditions. We evaluate the framework on 23 randomly selected protein fragments from the PDBbind dataset and 7 fragments from therapeutically relevant proteins, and execute experiments on the IBM-Cleveland Clinic quantum processor. Predictions are benchmarked against AlphaFold 3 (AF3) and classical simulation-based approaches using identical postprocessing and docking procedures. Our method outperforms both AF3 and classical baselines in RMSD (root-mean-square deviation) and docking efficacy. These results demonstrate an end-to-end, hardware-executable pipeline for biologically relevant structure prediction on real quantum processors, highlighting its engineering feasibility and practical advantages over existing classical and deep learning approaches.

cs.ET↗

SPARC-RAG: Adaptive Sequential-Parallel Scaling with Context Management for Retrieval-Augmented Generation

Retrieval-Augmented Generation (RAG) grounds large language model outputs in external evidence, but remains challenged on multi-hop question answering that requires long reasoning. Recent works scale RAG at inference time along two complementary dimensions: sequential depth for iterative refinement and parallel width for coverage expansion. However, naive scaling causes context contamination and scaling inefficiency, leading to diminishing or negative returns despite increased computation. To address these limitations, we propose SPARC-RAG, a multi-agent framework that coordinates sequential and parallel inference-time scaling under a unified context management mechanism. SPARC-RAG employs specialized agents that maintain a shared global context and provide explicit control over the scaling process. It generates targeted, complementary sub-queries for each branch to enable diverse parallel exploration, and explicitly regulates exiting decisions based on answer correctness and evidence grounding. To optimize scaling behavior, we further introduce a lightweight fine-tuning method with process-level verifiable preferences, which improves the efficiency of sequential scaling and effectiveness of parallel scaling. Across single- and multi-hop QA benchmarks, SPARC-RAG consistently outperforms previous RAG baselines, yielding an average +6.2 F1 improvement under lower inference cost.

cs.IR↗

Intelligent Nano-Fingerprinting: An Efficient and Precise Approach for Liquid Biopsy

Biological matrices are rich in information related to life processes, serving as invaluable media for assessing an individual's overall physiological status and its dynamic fluctuations, as well as crucial foundations for disease diagnosis. However, the inherent complexity of these matrices, coupled with our incomplete understanding of their full composition, presents significant challenges for comprehensive analysis and accurate diagnostic interpretation. The advent of single-molecule technologies has revolutionized biomedical research, enabling the direct observation of life processes at the molecular scale. We have proposed an Intelligent Nano-Fingerprinting strategy based on single-molecule nanopore technology, designed to capture the global molecular fingerprints of complex plasma matrices. Furthermore, we developed an intelligent algorithmic model capable of achieving precise classification of plasma samples. This approach is characterized by its simplicity, efficiency, and considerable potential for large-scale adoption and transferable applications.

physics.bio-ph↗

Detection of Earth's free oscillations utilizing TianQin

The measurement of Earth's free oscillations plays an important role in studying the Earth's large-scale structure. Space technology development presents a potential method to observe these normal modes by measuring inter-satellite distances. However, the disturbance from the Earth's low-degree gravity field makes it challenging for low Earth orbit gravity measurement satellites such as Gravity Recovery and Climate Experiment (GRACE) and TianQin-2 to extract signals from Earth's free oscillations directly. Here, we propose that by taking advantage of the high Earth orbit, the TianQin satellites can effectively avoid this disturbance, enabling direct measurement of Earth's free oscillations. We derive an analytical waveform to describe the response of Earth's free oscillations in TianQin. Based on this waveform, we use Bayesian analysis to extract the normal modes from numerical simulation data and perform parameter estimation. Our findings reveal that for a magnitude 7.9, Wenchuan-like earthquake, the resulting free oscillations will generate a signal that signal-to-noise ratio (SNR) is 73 in TianQin, and approximately 9 different modes can be distinguished. This result shows TianQin can open a new window to examine the Earth's free oscillations and study the Earth's interior and earthquakes independently from ground-based gravity measurement.

physics.geo-ph↗

Disentangling Task Conflicts in Multi-Task LoRA via Orthogonal Gradient Projection

Multi-Task Learning (MTL) combined with Low-Rank Adaptation (LoRA) has emerged as a promising direction for parameter-efficient deployment of Large Language Models (LLMs). By sharing a single adapter across multiple tasks, one can significantly reduce storage overhead. However, this approach suffers from negative transfer, where conflicting gradient updates from distinct tasks degrade the performance of individual tasks compared to single-task fine-tuning. This problem is exacerbated in LoRA due to the low-rank constraint, which limits the optimization landscape's capacity to accommodate diverse task requirements. In this paper, we propose Ortho-LoRA, a gradient projection method specifically tailored for the bipartite structure of LoRA. Ortho-LoRA dynamically projects conflicting task gradients onto the orthogonal complement of each other within the intrinsic LoRA subspace. Extensive experiments on the GLUE benchmark demonstrate that Ortho-LoRA effectively mitigates task interference, outperforming standard joint training and recovering 95\% of the performance gap between multi-task and single-task baselines with negligible computational overhead.

cs.LG↗

Towards Specialized Generalists: A Multi-Task MoE-LoRA Framework for Domain-Specific LLM Adaptation

The rapid evolution of Large Language Models (LLMs) has shifted focus from general-purpose capabilities to domain-specific expertise. However, adapting LLMs to specialized fields such as medicine presents two challenge: (1) the "Stability-Plasticity Dilemma", where the model must acquire complex clinical knowledge without suffering from catastrophic forgetting of general world knowledge; and (2) "Task Interference", where disparate sub-tasks, such as medical diagnosis, report summarization, and drug-drug interaction prediction, compete for limited low-rank parameter space. In this paper, we propose Med-MoE-LoRA, a novel framework that integrates Mixture-of-Experts (MoE) with Low-Rank Adaptation (LoRA) to enable efficient multi-task domain adaptation, especially for medical scenarios. Drawing inspiration from recent advances, our framework employs an asymmetric expert distribution where deeper layers are equipped with a higher density of LoRA experts to capture complex semantic abstractions. We further introduce a "Knowledge-Preservation Plugin", inspired by LoRA MoE, to isolate and protect general-purpose reasoning. By utilizing soft merging with adaptive routing and rank-wise decoupling, Med-MoE-LoRA achieves superior performance in medical benchmarks while reducing interference. Experimental results demonstrate that our approach consistently outperforms standard LoRA and conventional MoE architectures across multiple clinical NLP tasks while retaining the model's general cognitive capabilities.

cs.LG↗

Competent Discrete Time Modeling For analogue controlled PWM Converter Considering State-Feedback

Ever since R.D.Middlebrook proposed the state space averaging notion. The small signal model has been widely used as a design tool to tune control parameters. As Moore's law is continuing and the AI chip's high demand for power consumption and dynamic response, the control bandwidth needs to be boosted. However, the average model has two basic assumptions: the low-frequency assumption, the small ripple assumption. In high-bandwidth design, these two assumptions are violated. In order to solve this, various methods have been proposed. This paper gives a comprehensive overview of the existing small signal model for PWM converters from the following perspectives: 1. model fidelity, 2. analytical tractability. 3. complexity of the derivation process and result 4.generality.

eess.SY↗

Quantum tunnelling-integrated optoplasmonic nanotrap enables conductance visualisation of individual proteins

Biological electron transfer (ET) relies on quantum mechanical tunnelling through a dynamically folded protein. Yet, the spatiotemporal coupling between structural fluctuations and electron flux remains poorly understood, largely due to limitations in existing experimental techniques, such as ensemble averaging and non-physiological operating conditions. Here, we introduce a quantum tunnelling-integrated optoplasmonic nanotrap (QTOP-trap), an optoelectronic platform that combines plasmonic optical trapping with real-time quantum tunnelling measurements. This label-free approach enables single-molecule resolution of protein conductance in physiological electrolytes, achieving sub-3 nm spatial precision and 10-μs temporal resolution. By synchronising optoelectronic measurements, QTOP-trap resolves protein-specific conductance signatures and directly correlates tertiary structure dynamics with conductance using a "protein switch" strategy. This methodology establishes a universal framework for dissecting non-equilibrium ET mechanisms in individual conformational-active proteins, with broad implications for bioenergetics research and biomimetic quantum device design.

physics.bio-ph↗

State-Space Averaging Revisited via Reconstruction Operators

This paper presents an operator-theoretic reconstruction of an equivalent continuous-time LTI model from an exact sampled-data (Poincaré-map) baseline of a piecewise-linear switching system. The rebuilding is explicitly expressed via matrix logarithms. By expanding the logarithm of a product of matrix exponentials using the Baker--Campbell--Hausdorff (BCH) formula, we show that the classical state-space averaging (SSA) model can be interpreted as the leading-order truncation of this exact reconstruction when the switching period is small and the ripple is small. The same view explains why SSA critically relies on low-frequency and small-ripple assumptions, and why the method becomes fragile for converters with more than two subintervals per cycle. Finally, we provide a complexity-reduced, SSA-flavoured implementation strategy for obtaining the required spectral quantities and a real-valued logarithm without explicitly calling eigen-decomposition or complex matrix logarithms, by exploiting $2\times 2$ invariants and a minimal real-lift construction.

eess.SY↗

Training Diverse Graph Experts for Ensembles: A Systematic Empirical Study

Graph Neural Networks (GNNs) have become essential tools for learning on relational data, yet the performance of a single GNN is often limited by the heterogeneity present in real-world graphs. Recent advances in Mixture-of-Experts (MoE) frameworks demonstrate that assembling multiple, explicitly diverse GNNs with distinct generalization patterns can significantly improve performance. In this work, we present the first systematic empirical study of expert-level diversification techniques for GNN ensembles. Evaluating 20 diversification strategies -- including random re-initialization, hyperparameter tuning, architectural variation, directionality modeling, and training data partitioning -- across 14 node classification benchmarks, we construct and analyze over 200 ensemble variants. Our comprehensive evaluation examines each technique in terms of expert diversity, complementarity, and ensemble performance. We also uncovers mechanistic insights into training maximally diverse experts. These findings provide actionable guidance for expert training and the design of effective MoE frameworks on graph data. Our code is available at https://github.com/Hydrapse/bench-gnn-diversification.

cs.LG↗

Contribution from Nonlinear Quasi-normal Modes in GW250114

We report evidence for nonlinear gravitational effects in the ringdown signal of gravitational wave event GW250114. Using Bayesian inference, we find that the inclusion of a nonlinear quasi-normal mode (220Q), a second-order harmonic predicted by general relativity, is statistically favored over the standard linear model (440 mode) when analyzing the post-merger oscillations. Specifically, models incorporating the 220Q mode yield higher Bayes factors than those including only the linear 440 mode, and produce remnant black hole parameters (mass and spin) more consistent with full numerical relativity simulations. This suggests that nonlinear mode coupling contributes significantly to the ringdown phase, opening a new avenue to probe strong-field gravity beyond linear approximations.

gr-qc↗

A Hybrid Quantum-AI Framework for Protein Structure Prediction on NISQ Devices

Variational quantum algorithms provide a direct, physics-based approach to protein structure prediction, but their accuracy is limited by the coarse resolution of the energy landscapes generated on current noisy devices. We propose a hybrid framework that combines quantum computation with deep learning, formulating structure prediction as a problem of energy fusion. Candidate conformations are obtained through the Variational Quantum Eigensolver (VQE) executed on IBM's 127-qubit superconducting processor, which defines a global yet low-resolution quantum energy surface. To refine these basins, secondary structure probabilities and dihedral angle distributions predicted by the NSP3 neural network are incorporated as statistical potentials. These additional terms sharpen the valleys of the quantum landscape, resulting in a fused energy function that enhances effective resolution and better distinguishes native-like structures. Evaluation on 375 conformations from 75 protein fragments shows consistent improvements over AlphaFold3, ColabFold, and quantum-only predictions, achieving a mean RMSD of 4.9 Å with statistical significance (p < 0.001). The findings demonstrate that energy fusion offers a systematic method for combining data-driven models with quantum algorithms, improving the practical applicability of near-term quantum computing to molecular and structural biology.

cs.ET↗

GraspVLA: a Grasping Foundation Model Pre-trained on Billion-scale Synthetic Action Data

Embodied foundation models are gaining increasing attention for their zero-shot generalization, scalability, and adaptability to new tasks through few-shot post-training. However, existing models rely heavily on real-world data, which is costly and labor-intensive to collect. Synthetic data offers a cost-effective alternative, yet its potential remains largely underexplored. To bridge this gap, we explore the feasibility of training Vision-Language-Action models entirely with large-scale synthetic action data. We curate SynGrasp-1B, a billion-frame robotic grasping dataset generated in simulation with photorealistic rendering and extensive domain randomization. Building on this, we present GraspVLA, a VLA model pretrained on large-scale synthetic action data as a foundational model for grasping tasks. GraspVLA integrates autoregressive perception tasks and flow-matching-based action generation into a unified Chain-of-Thought process, enabling joint training on synthetic action data and Internet semantics data. This design helps mitigate sim-to-real gaps and facilitates the transfer of learned actions to a broader range of Internet-covered objects, achieving open-vocabulary generalization in grasping. Extensive evaluations across real-world and simulation benchmarks demonstrate GraspVLA's advanced zero-shot generalizability and few-shot adaptability to specific human preferences. We will release SynGrasp-1B dataset and pre-trained weights to benefit the community.

cs.RO↗

Multi-view biomedical foundation models for molecule-target and property prediction

Quality molecular representations are key to foundation model development in bio-medical research. Previous efforts have typically focused on a single representation or molecular view, which may have strengths or weaknesses on a given task. We develop Multi-view Molecular Embedding with Late Fusion (MMELON), an approach that integrates graph, image and text views in a foundation model setting and may be readily extended to additional representations. Single-view foundation models are each pre-trained on a dataset of up to 200M molecules. The multi-view model performs robustly, matching the performance of the highest-ranked single-view. It is validated on over 120 tasks, including molecular solubility, ADME properties, and activity against G Protein-Coupled receptors (GPCRs). We identify 33 GPCRs that are related to Alzheimer's disease and employ the multi-view model to select strong binders from a compound screen. Predictions are validated through structure-based modeling and identification of key binding motifs.

q-bio.BM↗

QDockBank: A Dataset for Ligand Docking on Protein Fragments Predicted on Utility-Level Quantum Computers

Protein structure prediction is a core challenge in computational biology, particularly for fragments within ligand-binding regions, where accurate modeling is still difficult. Quantum computing offers a novel first-principles modeling paradigm, but its application is currently limited by hardware constraints, high computational cost, and the lack of a standardized benchmarking dataset. In this work, we present QDockBank-the first large-scale protein fragment structure dataset generated entirely using utility-level quantum computers, specifically designed for protein-ligand docking tasks. QDockBank comprises 55 protein fragments extracted from ligand-binding pockets. The dataset was generated through tens of hours of execution on superconducting quantum processors, making it the first quantum-based protein structure dataset with a total computational cost exceeding one million USD. Experimental evaluations demonstrate that structures predicted by QDockBank outperform those predicted by AlphaFold2 and AlphaFold3 in terms of both RMSD and docking affinity scores. QDockBank serves as a new benchmark for evaluating quantum-based protein structure prediction.

cs.ET↗

DaDu-Corki: Algorithm-Architecture Co-Design for Embodied AI-powered Robotic Manipulation

Embodied AI robots have the potential to fundamentally improve the way human beings live and manufacture. Continued progress in the burgeoning field of using large language models to control robots depends critically on an efficient computing substrate, and this trend is strongly evident in manipulation tasks. In particular, today's computing systems for embodied AI robots for manipulation tasks are designed purely based on the interest of algorithm developers, where robot actions are divided into a discrete frame basis. Such an execution pipeline creates high latency and energy consumption. This paper proposes \textsc{Corki}\xspace, an algorithm-architecture co-design framework for real-time embodied AI-powered robotic manipulation applications. We aim to decouple LLM inference, robotic control, and data communication in the embodied AI robots' compute pipeline. Instead of predicting action for one single frame, \textsc{Corki}\xspace predicts the trajectory for the near future to reduce the frequency of LLM inference. The algorithm is coupled with a hardware that accelerates transforming trajectory into actual torque signals used to control robots and an execution pipeline that parallels data communication with computation. \textsc{Corki}\xspace largely reduces LLM inference frequency by up to $5.1\times$, resulting in up to $5.9\times$ speed up. The success rate improvement can be up to 13.9\%.

cs.AR↗