arXiv subjects

Shan Jiang

Publications and source records attributed to Shan Jiang.

At least 19 recordsLinked to original sources

arXiv2026

Electron-phonon coupled hydrodynamics in semimetal TaAs_2

Hydrodynamic corrections to diffusive transport can arise when momentum-conserving collisions between quasiparticles become prominent, and they have been documented for both electrons and phonons. An emerging frontier topic is coupled electron-phonon (e-ph) hydrodynamics. Here, through electrical and thermal transport measurements on TaAs2 crystals with different impurity levels, we document the emergence of an e-ph bifluid in the temperature window of 5 to 15 K. Within this range, the lattice thermal conductivity exhibits a faster-than-T^3 temperature dependence, as a consequence of non-monotonic and purity-dependent phonon mean free paths, a signature of phonon Poiseuille flow. However, strong e-ph coupling impedes the emergence of a ballistic regime. This is corroborated by the observation of quantum oscillations in the lattice thermal conductivity. Prominent phonon-mediated momentum exchange between electrons amplifies the violation of the Wiedemann-Franz law and yields a two-order-of-magnitude discrepancy between quantum and transport lifetimes, a signature of electron hydrodynamics in semimetals. Our results imply that in semimetals with optimized e-ph coupling, thanks to matching between the cryogenic phonon wave?length and the Fermi wavelength, momentum and energy flow between the electron and phonon reservoirs as frequently as within each reservoir.

cond-mat.mtrl-sci↗

arXiv2026

LLM-Driven Joint Evolution of Coupled Heuristics Components for Routing Optimization

Heuristic design for combinatorial optimization remains heavily reliant on expert knowledge, while existing large language model (LLM)-enhanced evolutionary methods typically evolve isolated algorithmic components, even when one determines the search state on which another operates. This paper proposes LLM-driven Heuristic Components Joint Generation (LLM-HCJG), a population-based framework that jointly generates and co-evolves interdependent heuristic components under a shared design blueprint. Applied to guided local search (GLS), LLM-HCJG couples solution initialization with penalty construction and embeds the generated pair into an enhanced online search mechanism. The resulting form is further transferred from the traveling salesman problem (TSP) to the capacitated vehicle routing problem (CVRP). Theoretical analysis establishes the non-separable state-transition effects between the two components and the advantage in generation consistency. Across synthetic instances and 41 public TSPLIB/CVRPLIB benchmarks, LLM-HCJG attains consistently low optimality gaps, including best or tied-best results on 28 of 29 TSPLIB instances and all 12 CVRPLIB instances. Ablation and structural analyses further indicate that these gains are associated with cross-component compatibility and alignment rather than isolated-component recombination. These results support effective cross-instance transfer within the evaluated routing settings under limited-sample, modest-cost training.

cs.NE↗

arXiv2026

Recovering Process Variables from Industrial Network Traffic via Search-Based Optimization

Process variables (PVs) provide the process evidence needed for process-aware security monitoring in industrial cyber-physical systems (CPSs). However, existing supervisory infrastructures expose only the subset of PV values recorded by historians, leaving many additional runtime PV values unobserved. To address this incomplete process visibility, we study the problem of recovering PV fields and their semantics directly from raw industrial network traffic through protocol reverse engineering (PRE). In this setting, existing PRE methods face two practical challenges: PV-carrying communication is mixed with heterogeneous runtime traffic, and PV-carrying payloads are often long and deployment-specific. Mixed runtime traffic obscures the PV-carrying communication paths, while long payloads create a vast segmentation space in which early segmentation errors can propagate and corrupt the recovery of later fields under sequential inference. In this paper, we formulate the recovery of PV fields from raw network traffic as a search-based optimization problem. Our key insight is that non-sequentially identifying correct segmentations in such a vast segmentation space can be cast as an optimization problem and addressed by searching for near-optimal solutions. We propose PVParser to approach this goal. PVParser first reduces the search space by identifying the PV-carrying payloads from network traffic via a periodic pattern detection mechanism. It then employs a modified Monte Carlo Tree Search to explore near-optimal segmentations, reducing error propagation from incorrect early boundary decisions. Experiments on three representative industrial CPS datasets demonstrate that PVParser achieves high accuracy and F1-score in PV-carrying payload localization and PV field inference, outperforming six state-of-the-art PRE approaches by a significant margin.

cs.CR↗

arXiv2026

ScienceFlow: A long-horizon agent for ML research, scientific discovery and beyond

Enabling LLM agents to sustain productive, stable, and goal-aligned research over extended horizons is a central challenge for autonomous machine learning and scientific discovery, as progress hinges on continuously managing evolving state, exploration decisions, and computational resources. Pioneering autoresearch agents, despite great success, still lack mechanisms for continuity, recovery from dead ends, and value-driven compute allocation, which inherently undermines overall search efficiency, wastes computational resources, and lowers the chance of ultimate success. To bridge this gap, we introduce ScienceFlow, an end-to-end autoresearch agent framework that organizes long-horizon research work into research segments grounded in executable workspaces. It represents research progress as recoverable executable states, enabling efficient exploration, revision, and execution. Transitions between research segments are governed by Executable-State Transition through Re-Anchoring (ESTRA), which selects either the live state or an archived state as the next anchor and determines whether to continue or redirect the research trajectory. An evidence-aware execution controller allocates resources to physical jobs based on resource availability, remaining budget, and validated progress. We evaluate ScienceFlow on tasks spanning machine learning, scientific modeling, and mathematical optimization. Results on diverse long-horizon benchmarks demonstrate its ability to sustain effective research processes, highlighted by a SOTA 70.22 percent Any-Medal score on the full MLE-bench within a 24-hour budget, outperforming prior reported results by 4.92 percentage points. The efficacy of ScienceFlow further demonstrates that efficient state management, adaptive exploration, and objective-aligned execution are critical for scaling autonomous research beyond short-horizon interactions.

cs.AI↗

arXiv2026

Empowering Polymeric Materials Discovery by Artificial Intelligence

Polymeric materials underpin modern technologies spanning energy storage, microelectronics, healthcare and sustainable manufacturing. Yet their rational design remains exceptionally challenging because material performance emerges from complex interactions among molecular composition, chain architecture, processing history and hierarchical structural evolution across multiple length and time scales. Consequently, polymer research has long relied on labor-intensive experimentation and fragmented modeling approaches, limiting both mechanistic understanding and innovation efficiency. Recent advances in data infrastructure, machine learning, large artificial intelligence (AI) models and laboratory automation are beginning to reshape this landscape. Rather than functioning as isolated tools, polymer databases, predictive models, AI agents and automated laboratories are increasingly converging into interconnected discovery ecosystems. As a result, the central challenge is shifting from improving predictive accuracy alone to enabling reliable decision-making, adaptive learning and seamless integration across computation, experimentation and scientific reasoning. We argue that polymer science is entering an era of autonomous discovery, in which data, simulation, reasoning and experimentation operate within self-improving feedback loops that continuously generate hypotheses, design materials, execute experiments and refine predictive models. By unifying molecular design, process optimization, experimental validation and industrial translation, such autonomous ecosystems establish a more predictive, reproducible and scalable paradigm for polymer innovation, fundamentally transforming how polymer research is conducted.

physics.chem-ph↗

arXiv2026

Quantum Algorithms for Triangle Cut Sparsification

Triangles capture higher-order structures in graphs and are fundamental to applications such as clustering and network analysis. To enable efficient use of such structures at scale, we study the problem of triangle cut sparsification, which aims to reduce the graph size while approximately preserving triangle counts across every cut. We investigate quantum algorithms for this problem, using triangle listing as our main technical ingredient. In particular, we present a quantum algorithm for triangle listing that, for a graph with $n$ vertices, $m$ edges, and $t$ triangles, runs in time $T_{\mathrm{q\text{-}list}} =$ $\widetilde{O}\bigl(\min(n^{5/4}t^{7/12} + n^{7/6}t^{7/9}, m + m^{3/4}t^{1/2},$ $n^{3/2}t^{1/2})\bigr)$, improving upon the best known classical bounds over a broad range of parameters. Our algorithm is based on a heavy-light vertex partition and an extension of triangle detection via quantum walks and Grover search. Leveraging this result, we design a quantum algorithm for constructing $\varepsilon$-triangle cut sparsifiers of size $\widetilde{O}(n/\varepsilon^2)$ in time $\widetilde{O}(T_{\mathrm{q\text{-}list}} + \sqrt{mn}/\varepsilon)$. Finally, we demonstrate applications to clustering algorithms based on triangle-related measures and prove a lower bound of $\Omega(n/\varepsilon^2)$ on the size of any $\varepsilon$-triangle cut sparsifiers.

quant-ph↗

arXiv2026

GlobalDentBench: A Multinational Benchmark for Evaluating LLM Clinical Reasoning in Dentistry with Expert Calibration

While large language models (LLMs) hold transformative potential for medicine, their reasoning robustness and safety in real-world clinical scenarios remain critically underexplored, particularly in dentistry. Here we introduce GlobalDentBench, the first multinational dental benchmark, featuring a taxonomy that encompasses 14 dental specialties across 88 countries and regions spanning six continents. The benchmark comprises 8,978 expert-validated questions across three formats (multiple-choice, short-answer, and case-based questions) and assesses three progressive reasoning levels: knowledge recall (L1), routine reasoning (L2), and individualized reasoning (L3). To ensure data quality, the automated construction framework was calibrated by six senior dentists, achieving expert agreement rates of 99.98% for multiple-choice and short-answer questions and 96.78% for the more complex case-based questions. Evaluation of 12 frontier LLMs on GlobalDentBench revealed a sharp, stepwise performance degradation with increasing reasoning complexity. Specifically, accuracy plummeted from 81.34% on multiple-choice to 64.53% on short-answer and 22.34% on case-based questions, while declining markedly from 74.01% at L1 to 55.64% at L2 and 35.71% at L3. More critically, risk analysis of real-world dental cases demonstrated an alarming overall unsafe rate of 31.01% in LLM-generated clinical recommendations, with 4.51% posing risks of irreversible patient harm and risks particularly pronounced in specialties such as orthodontics. These findings expose fundamental limitations in the medical reasoning and safety of current LLMs. Consequently, GlobalDentBench provides a scalable foundation for trustworthy clinical AI evaluation, underscoring the urgent need for rigorous validation before the safe deployment of these models in healthcare.

cs.AI↗

arXiv2026

Sketch-and-Verify: Structured Inference-Time Scaling via Program Sketching

SKETCHVERIFY is a within-tier cost-performance policy, not a universal accuracy improvement. The operational question: a practitioner stuck with a small, cheap code model (here, Gemini 3.1 Flash Lite) for latency, deployment, or budget reasons -- how should they spend a small amount of extra test-time compute? SKETCHVERIFY factorizes the search space: the LLM enumerates K distinct algorithmic strategies, writes a program sketch for each (a partial program with ?? holes), and fills each sketch M times, producing K x M structurally diverse candidates that are verified by execution and selected by fingerprint clustering. Each extra sketch is guaranteed to explore a different algorithm; each extra flat sample likely duplicates an existing one. Our central evidence is a cost-quality Pareto plot on HumanEval+ across three Gemini tiers (Lite, Flash, Pro), and a reanalysis of the 19 problems where Lite greedy fails. Two findings: (1) Within-tier, sketching dominates flat sampling at matched candidate count. On the hard subset, Lite Sketch K=2, M=5 recovers 11/19 (58%) vs. flat N=10 at 5/19 (26%, +32pp); Lite Sketch K=10, M=10 recovers 15/19 (79%) vs. flat N=100 at 10/19 (53%, +26pp). Flat cannot close the gap even at ~3x the budget: flat N=50 still loses to Sketch K=2, M=5 by +11pp. (2) Cross-tier, sketching does not replace upgrading. Pro greedy (89%) dominates Lite Sketch K=10, M=10 (79%) on both pass@1 and dollar cost. Practitioner rule: if a stronger tier is available, use greedy on it; otherwise sketching is the cost-effective way to spend extra compute. We characterize the K-vs-M trade-off via a Flash Lite scaling sweep, report HumanEval+ saturation on Flash and Pro, and show the method composes cleanly with execution-based selection from the concurrent Semantic Voting line of work.

cs.LG↗

arXiv2026

Semantic Voting: Execution-Grounded Consensus for LLM Code Generation

LLM code-generation pipelines often sample multiple candidates and select one final answer without access to a complete oracle. Existing pipelines mix textual voting, ranking, and execution-based agreement, but the relative contribution of each component remains unclear. We study 18 configurations across different models, thinking levels, and benchmarks, comparing output-pattern majority voting, weighted voting, MBR-Exec, and SemanticVote - a method that clusters candidates by execution fingerprints on LLM-generated inputs. Three findings emerge. (1) The best execution-based selector exceeds output-pattern majority voting by 19-52 percentage points on every configuration, with every execution-based selector exceeding it by at least 18 points. (2) Once candidates are executed on diverse inputs, aggregation rule has limited effect: SemanticVote, weighted voting, and MBR-Exec are statistically indistinguishable across all 18 configurations. The largest factor is input quality: sketch-based input generation consistently outperforms direct LLM generation by 0.6-2.1 pp and random fuzzing by up to 11.3 pp. (3) Thinking level interacts differently with selection families: deeper thinking improves majority voting by 12 pp but execution-based methods stay flat or degrade as candidate diversity falls. These results frame inference-time code selection as a signal-quality problem rather than an aggregation-rule problem: when oracles are unavailable, the behavioral evidence matters more than the aggregation rule.

cs.SE↗

arXiv2026

OmniTrace: A Unified Framework for Generation-Time Attribution in Omni-Modal LLMs

Modern multimodal large language models (MLLMs) generate fluent responses from interleaved text, image, audio, and video inputs. However, identifying which input sources support each generated statement remains an open challenge. Existing attribution methods are primarily designed for classification settings, fixed prediction targets, or single-modality architectures, and do not naturally extend to autoregressive, decoder-only models performing open-ended multimodal generation. We introduce OmniTrace, a lightweight and model-agnostic framework that formalizes attribution as a generation-time tracing problem over the causal decoding process. OmniTrace provides a unified protocol that converts arbitrary token-level signals such as attention weights or gradient-based scores into coherent span-level, cross-modal explanations during decoding. It traces each generated token to multimodal inputs, aggregates signals into semantically meaningful spans, and selects concise supporting sources through confidence-weighted and temporally coherent aggregation, without retraining or supervision. Evaluations on Qwen2.5-Omni and MiniCPM-o-4.5 across visual, audio, and video tasks demonstrate that generation-aware span-level attribution produces more stable and interpretable explanations than naive self-attribution and embedding-based baselines, while remaining robust across multiple underlying attribution signals. Our results suggest that treating attribution as a structured generation-time tracing problem provides a scalable foundation for transparency in omni-modal language models.

cs.CL↗

arXiv2026

Two-Stage Adaptation for Non-Normative Speech Recognition: Revisiting Speaker-Independent Initialization for Personalization

Personalizing automatic speech recognition (ASR) systems for non-normative speech, such as dysarthric and aphasic speech, is challenging. While speaker-specific fine-tuning (SS-FT) is widely used, it is typically initialized directly from a generic pre-trained model. Whether speaker-independent adaptation provides a stronger initialization prior under such mismatch remains unclear. In this work, we propose a two-stage adaptation framework consisting of speaker-independent fine-tuning (SI-FT) on multi-speaker non-normative data followed by SS-FT, and evaluate it through a controlled comparison with direct SS-FT under identical per-speaker conditions. Experiments on AphasiaBank and UA-Speech with Whisper-Large-v3 and Qwen3-ASR, alongside evaluation on typical-speech datasets TED-LIUM v3 and FLEURS, show that two-stage adaptation consistently improves personalization while maintaining manageable out-of-domain (OOD) trade-offs.

cs.SD↗

arXiv2026

Learning to Dock: Geometric Deep Learning for Predicting Supramolecular Host-Guest Complexes

Predicting non-covalent host-guest recognition remains challenging due to the complex interplay of electrostatics, dispersion, and steric effects, and the limited transferability of existing docking approaches to synthetic supramolecular systems. Here we present DeepHostGuest, a geometric deep-learning framework that learns generalizable recognition principles directly from experimentally resolved host-guest structures. Hosts are encoded as electrostatic surfaces and guests as molecular graphs, enabling transferable learning across diverse supramolecular systems. DeepHostGuest achieves high-accuracy predictions (RMSD $\leq 2$ Angstrom for 80.8% of test cases), substantially outperforming classical docking without case-specific tuning. Notably, the method generalizes beyond its training domain to crystalline sponge systems, accurately capturing the binding of large amphiphilic molecules within metal-organic cages. Beyond predicting binding conformations, the structures generated by DeepHostGuest serve as a reliable basis for accurate binding free-energy calculations. Density Functional Theory (DFT)-calculated affinities correlate well with experiment, enabling structure-property relationships across 876 host-guest complexes spanning 34 host families. Interpretable feature analysis reveals that binding strength arises from a cooperative interplay of host polarity, guest hydrophobicity, and geometric complementarity, with distinct design regimes across supramolecular classes. Together, these results establish data-driven molecular recognition as a practical route to predictive supramolecular design, enabling high-throughput virtual screening and rational optimization of functional host-guest systems.

physics.chem-ph↗

arXiv2026

Contour-integral based quantum eigenvalue transformation: analysis and applications

Eigenvalue transformations appear ubiquitously in scientific computation, ranging from matrix polynomials to differential equations, and are beyond the reach of the quantum singular value transformation framework. In this work, we study the efficiency of quantum algorithms based on contour integral representation for eigenvalue transformations from both theoretical and practical aspects. Theoretically, we establish a complete complexity analysis of the contour integral approach proposed in [Takahira, Ohashi, Sogabe, and Usuda. Quant. Inf. Comput., 22, 11\&12, 965--979 (2021)]. Moreover, we combine the contour integral approach and the sampling-based linear combination of unitaries to propose a quantum algorithm for estimating observables of eigenvalue transformations using only $3$ additional qubits. Practically, we design contour integral based quantum algorithms for Hamiltonian simulation, matrix polynomials, and solving linear ordinary differential equations, and show that the contour integral algorithm can outperform all the existing quantum algorithms in the case of solving asymptotically stable differential equations.

quant-ph↗

arXiv2025

DentalGPT: Incentivizing Multimodal Complex Reasoning in Dentistry

Reliable interpretation of multimodal data in dentistry is essential for automated oral healthcare, yet current multimodal large language models (MLLMs) struggle to capture fine-grained dental visual details and lack sufficient reasoning ability for precise diagnosis. To address these limitations, we present DentalGPT, a specialized dental MLLM developed through high-quality domain knowledge injection and reinforcement learning. Specifically, the largest annotated multimodal dataset for dentistry to date was constructed by aggregating over 120k dental images paired with detailed descriptions that highlight diagnostically relevant visual features, making it the multimodal dataset with the most extensive collection of dental images to date. Training on this dataset significantly enhances the MLLM's visual understanding of dental conditions, while the subsequent reinforcement learning stage further strengthens its capability for multimodal complex reasoning. Comprehensive evaluations on intraoral and panoramic benchmarks, along with dental subsets of medical VQA benchmarks, show that DentalGPT achieves superior performance in disease classification and dental VQA tasks, outperforming many state-of-the-art MLLMs despite having only 7B parameters. These results demonstrate that high-quality dental data combined with staged adaptation provides an effective pathway for building capable and domain-specialized dental MLLMs.

cs.CV↗

arXiv2025

YOWO: You Only Walk Once to Jointly Map An Indoor Scene and Register Ceiling-mounted Cameras

Using ceiling-mounted cameras (CMCs) for indoor visual capturing opens up a wide range of applications. However, registering CMCs to the target scene layout presents a challenging task. While manual registration with specialized tools is inefficient and costly, automatic registration with visual localization may yield poor results when visual ambiguity exists. To alleviate these issues, we propose a novel solution for jointly mapping an indoor scene and registering CMCs to the scene layout. Our approach involves equipping a mobile agent with a head-mounted RGB-D camera to traverse the entire scene once and synchronize CMCs to capture this mobile agent. The egocentric videos generate world-coordinate agent trajectories and the scene layout, while the videos of CMCs provide pseudo-scale agent trajectories and CMC relative poses. By correlating all the trajectories with their corresponding timestamps, the CMC relative poses can be aligned to the world-coordinate scene layout. Based on this initialization, a factor graph is customized to enable the joint optimization of ego-camera poses, scene layout, and CMC poses. We also develop a new dataset, setting the first benchmark for collaborative scene mapping and CMC registration (https://sites.google.com/view/yowo/home). Experimental results indicate that our method not only effectively accomplishes two tasks within a unified framework, but also jointly enhances their performance. We thus provide a reliable tool to facilitate downstream position-aware applications.

cs.CV↗

arXiv2025

Enhancing Multi-Camera Gymnast Tracking Through Domain Knowledge Integration

We present a robust multi-camera gymnast tracking, which has been applied at international gymnastics championships for gymnastics judging. Despite considerable progress in multi-camera tracking algorithms, tracking gymnasts presents unique challenges: (i) due to space restrictions, only a limited number of cameras can be installed in the gymnastics stadium; and (ii) due to variations in lighting, background, uniforms, and occlusions, multi-camera gymnast detection may fail in certain views and only provide valid detections from two opposing views. These factors complicate the accurate determination of a gymnast's 3D trajectory using conventional multi-camera triangulation. To alleviate this issue, we incorporate gymnastics domain knowledge into our tracking solution. Given that a gymnast's 3D center typically lies within a predefined vertical plane during \revised{much of their} performance, we can apply a ray-plane intersection to generate coplanar 3D trajectory candidates for opposing-view detections. More specifically, we propose a novel cascaded data association (DA) paradigm that employs triangulation to generate 3D trajectory candidates when cross-view detections are sufficient, and resort to the ray-plane intersection when they are insufficient. Consequently, coplanar candidates are used to compensate for uncertain trajectories, thereby minimizing tracking failures. The robustness of our method is validated through extensive experimentation, demonstrating its superiority over existing methods in challenging scenarios. Furthermore, our gymnastics judging system, equipped with this tracking method, has been successfully applied to recent Gymnastics World Championships, earning significant recognition from the International Gymnastics Federation.

cs.CV↗

arXiv2025

Unsupervised Discovery of Long-Term Spatiotemporal Periodic Workflows in Human Activities

Periodic human activities with implicit workflows are common in manufacturing, sports, and daily life. While short-term periodic activities -- characterized by simple structures and high-contrast patterns -- have been widely studied, long-term periodic workflows with low-contrast patterns remain largely underexplored. To bridge this gap, we introduce the first benchmark comprising 580 multimodal human activity sequences featuring long-term periodic workflows. The benchmark supports three evaluation tasks aligned with real-world applications: unsupervised periodic workflow detection, task completion tracking, and procedural anomaly detection. We also propose a lightweight, training-free baseline for modeling diverse periodic workflow patterns. Experiments show that: (i) our benchmark presents significant challenges to both unsupervised periodic detection methods and zero-shot approaches based on powerful large language models (LLMs); (ii) our baseline outperforms competing methods by a substantial margin in all evaluation tasks; and (iii) in real-world applications, our baseline demonstrates deployment advantages on par with traditional supervised workflow detection approaches, eliminating the need for annotation and retraining. Our project page is https://sites.google.com/view/periodicworkflow.

cs.CV↗

arXiv2025

GraphNet: A Large-Scale Computational Graph Dataset for Tensor Compiler Research

We introduce GraphNet, a dataset of 2.7K real-world deep learning computational graphs with rich metadata, spanning six major task categories across multiple deep learning frameworks. To evaluate tensor compiler performance on these samples, we propose the benchmark metric Speedup Score S(t), which jointly considers runtime speedup and execution correctness under tunable tolerance levels, offering a reliable measure of general optimization capability. Furthermore, we extend S(t) to the Error-aware Speedup Score ES(t), which incorporates error information and helps compiler developers identify key performance bottlenecks. In this report, we benchmark the default tensor compilers, CINN for PaddlePaddle and TorchInductor for PyTorch, on computer vision (CV) and natural language processing (NLP) samples to demonstrate the practicality of GraphNet. The full construction pipeline with graph extraction and compiler evaluation tools is available at https://github.com/PaddlePaddle/GraphNet .

cs.LG↗