arXiv subjects

Yanchao Wang

Publications and source records attributed to Yanchao Wang.

At least 19 recordsLinked to original sources

arXiv2026

ProtoHGF-Net: Prototype HyperGraph Fusion with Intra-modal Calibration for RGBT Object Detection

RGB-Thermal (RGBT) object detection enables robust perception in complex scenes by leveraging the complementary strengths of visible textures and thermal cues. However, existing methods mainly rely on dense cross-modal interactions over full-resolution features, which inevitably introduce background interference and hinder the learning of target-relevant representations. In this paper, we propose the Prototype HyperGraph Fusion Network (ProtoHGF-Net), a novel framework that redefines cross-modal fusion as prototype-level semantic interaction rather than the dense cross-modal interaction paradigm. Specifically, we design Prototype HyperGraph Fusion to perform cross-modal interaction in a compact prototype-level semantic space. This design enables more selective fusion among target-relevant prototypes. To support this prototype-level fusion, we propose Teacher-Mask Calibration Distillation, which calibrates modality features before fusion using modality-specific teachers and target-aware masks. This strategy suppresses backgrou- nd-dominant responses and produces more target-focused features. Extensive experiments on DroneVehicle, DVTOD, and FLIR demonstrate that ProtoHGF-Net achieves state-of-the-art performance with 85.9\% $mAP_{50}$, 88.2\% $mAP_{50}$, and 79.1\% $mAP_{50}$, respectively. Our code is available at \href{https://github.com/ZiMo-Chen/ProtoHGF}{GitHub}.

cs.CV↗

arXiv2026

Active Tracking of Marine Pollution Sources: An Uncertainty-Aware Categorical Bayesian Framework for Unmanned Surface Vehicles

This paper presents an uncertainty-aware framework for the active tracking of marine pollution sources using Unmanned Surface Vehicles (USVs). The proposed framework employs an Informative Path Planning (IPP) strategy driven by Bayesian inference, modelling the belief of source location as a categorical distribution. This work presents a high-fidelity simulation pipeline, coupling Computational Fluid Dynamics (CFD) for realistic pollutant dispersion with Gazebo-based hydrodynamics and ArduPilot for USV control. Furthermore, this paper introduces the Smallest Credible Interval (SCI) as a metric to quantify estimation uncertainty and to serve as an autonomous termination criterion. Extensive simulations across diverse wave conditions and source locations demonstrate that the proposed framework achieves a 95.8% success rate, significantly outperforming baseline methods in both localisation accuracy and environmental adaptability. This framework provides a scalable and ROS-compatible foundation for fully autonomous environmental monitoring and rapid incident response.

cs.RO↗

arXiv2026

Boron-assisted synthesis of compositionally complex amorphous oxides via short-range-order-constrained generative design

Engineering short-range atomic order in amorphous materials offers a promising yet still underexplored route to high-performance solids. Here, we establish a boron-assisted amorphization strategy through ApolloX, a theory-guided, short-range-order-constrained generative framework for identifying low-energy amorphous configurations in compositionally complex multimetal BOx systems. Using FeCoNiMoBOx as a representative model platform, ApolloX predicts an ensemble of candidate amorphous configurations across systematically varied boron contents. Ab initio molecular dynamics simulations based on these configurations show that increasing boron content suppresses atomic diffusion and disfavors crystallization, with the stabilization of BO3-centered local motifs emerging as a key structural feature associated with enhanced amorphization propensity. Guided by these predictions, we synthesize three representative FeCoNiMoBOx compositions with distinct boron contents and use synchrotron-based scattering and electron microscopy to verify compositional fidelity, structural homogeneity, and the targeted amorphous features, thereby experimentally validating the boron-regulated structural evolution predicted by theory. Beyond this representative system, the same strategy is extended to a broader library of multimetal BOx amorphous compositions spanning diverse metal combinations and boron loadings, demonstrating that the boron-assisted route is not limited to a single FeCoNiMoBOx family but is broadly transferable across compositionally complex amorphous oxides. Overall, our results establish boron incorporation as a practical design variable for tuning short-range order and amorphization in multicomponent oxides, and provide a general framework for the theory-guided discovery of compositionally complex amorphous materials with tunable properties.

cond-mat.mtrl-sci↗

arXiv2026

Systematic study of one-point kinetic energy density functionals for atomic nuclei

To explore the applicability of orbital-free density functional theory (OF-DFT) in nuclear physics, we perform a systematic benchmark of 36 one-point kinetic energy density functionals, which are originally developed for electron systems in condensed matter physics. It is found that the direct use of the original parameters for electron systems leads to inconsistent performance, with certain functionals exhibiting physically unacceptable asymptotic behaviors. However, through parameter re-optimization targeting nuclear densities, different mathematical forms of generalized gradient approximation (GGA) functionals converge to a consistent root-mean-square error of approximately 13 MeV. From a physical perspective, this consistent behavior signifies that the optimized semi-local GGAs have successfully captured the macroscopic, liquid-drop-like background of the nucleus, while the residual deviations appear as periodic oscillations at the magic numbers that could reflect the quantum shell effects.

nucl-th↗

arXiv2026

High-Pressure Crystal Structure Database

High-pressure research is a productive route to new structures and emergent properties. However, crucial high-pressure structural information remains highly fragmented across individual publications and heterogeneous computational repositories. This fragmentation creates a major bottleneck for data-driven materials design. To bridge this gap, we introduce the High-Pressure Crystal Structure Database (HPCSD), a traceable, pressure-resolved repository that integrates experimental and theoretical high-pressure structures. HPCSD is constructed from two complementary data streams: elemental high-pressure phases and a searchable configuration space of stable and metastable phases generated via CALYPSO crystal structure prediction. To ensure rigorous comparability, all retained structures underwent re-optimization under a unified density functional theory (DFT) framework , with continuous enthalpy curves systematically generated specifically for the elemental phases across their stability fields. The initial release encompasses 77,346 consistently evaluated structural entries spanning 89 elements. An analysis reveals that pressure-induced polymorphism is ubiquitous and exhibits pronounced family-dependent trends. Structural diversity is strongly influenced by an element's electronic adaptability , with the greatest structural complexity emerging at intermediate rather than highest pressures. By providing standardized, reusable, and rigorously evaluated high-pressure structural data, HPCSD establishes a robust infrastructure to accelerate experimental phase identification, facilitate cross-study thermodynamic comparisons, and support the development of machine-learning interatomic potentials and generative models for high-pressure systems.

cond-mat.mtrl-sci↗

arXiv2026

SAMOFT: Robust Multi-Object Tracking via Region and Flow

Multi-object tracking (MOT) is a fundamental task in computer vision that requires continuously tracking multiple targets while maintaining consistent identities across frames. However, most existing approaches primarily rely on instance-level object features for trajectory association, which often leads to degraded performance under challenging conditions such as object deformation, nonlinear motion, and occlusion. In this work, we propose SAMOFT, a robust tracker that leverages pixel-level cues to improve robustness under complex motion scenarios. Specifically, we introduce a Pixel Motion Matching (PMM) module that integrates the Segment Anything Model (SAM) with dense optical flow to refine Kalman filter-based motion prediction using instantaneous foreground pixel motion. To further enhance robustness under unreliable detections, we design a Centroid Distance Matching (CDM) module that performs flexible mask-based centroid matching for low-confidence or partially occluded observations. Moreover, a Distribution-Based Correction (DBC) module models long-tailed motion patterns in a training-free manner using historical optical flow statistics and dynamically corrects trajectory states online. We also incorporate a Cluster-Aware ReID (CA-ReID) strategy to improve the stability and discriminative power of trajectory appearance features. Extensive experiments on the DanceTrack and MOTChallenge benchmarks demonstrate that SAMOFT consistently improves baseline trackers and achieves competitive performance compared with recent state-of-the-art methods, validating the effectiveness of leveraging pixel-level cues for robust multi-object tracking.

cs.CV↗

arXiv2026

Pressure-tuned double-dome superconductivity in KZnBi with honeycomb lattice

Materials with honeycomb lattice structures exhibit unique electronic properties arising from their distinctive atomic arrangements. Their weakly coupled nature facilitates modulation by external stimuli, which leads to a diverse range of physical phenomena, particularly superconductivity. Here, we report the discovery of a pressure-induced M-shaped double-dome superconducting phase in KZnBi with honeycomb lattice. Under applied pressure, the superconducting transition temperature Tc increases sharply and reaches a maximum value of 7 K at approximately 2.5 GPa. Following a structural phase transition from the ambient-pressure P63/mmc phase to the high-pressure Pnma phase, Tc gradually decreases. Further compression induces an electronic transition near 7 GPa, accompanied by an unexpected reentrant superconducting phase with a higher Tc of 8 K. Our theoretical calculations indicate that KZnBi undergoes a transition from a Dirac band structure to a strong topological semimetal state following the structural phase transition. These findings establish KZnBi as an ideal platform for investigating the diverse structural manifestations and intrinsic phenomena of the honeycomb lattice, demonstrating the fundamental importance of honeycomb structures in advancing superconductivity research.

cond-mat.supr-con↗

arXiv2026

Synthesis of Monolayer Ice on a Hydrophobic Metal Surface

Understanding water-metal interactions is central to disciplines spanning catalysis, electrochemistry, and atmospheric science. Monolayer ice phases are well established on hydrophilic surfaces, where strong water-substrate interactions stabilize ordered hydrogen-bond networks. In contrast, their formation on hydrophobic metals has been deemed ther-modynamically unfavourable, with water typically assembling into amorphous films, three-dimensional crystallites, or interlocked bilayer ice. Here, we demonstrate the synthesis of a monolayer ice phase on the hydrophobic Au(111) surface using a low-energy-electron-assisted growth method. Combined experimental characterizations including low-energy electron diffraction, angle-resolved photoemission spectroscopy, and X-ray photoelectron spectroscopy, complemented by first-principles calculations, prove that the monolayer ice phase composes of intact water molecules. This approach provides a generalizable strategy for stabilizing ordered two-dimensional ice on inert substrates and offers new insight into the interplay between water and low-energy electrons at hydrophobic interfaces.

cond-mat.mtrl-sci↗

arXiv2025

Theory of polarization-switchable electrical conductivity anisotropy in nonpolar semiconductors

The anisotropic propagation of particles is a fundamental transport phenomenon in solid state physics. As for crystalline semiconductors, the anisotropic charge transport opens novel designing routes for electronic devices, where the electrical or magnetic manipulation of anisotropic resistance provides essential guarantees. Motivated by the concept of anisotropic magnetoresistance, we develop an original theory on the electrically manipulatable anisotropic electroresistance. We show that piezoelectrics and ferroelectrics may showcase polarization-dependent anisotropic electrical conductivities between two perpendicular directions and the electrical conductivity anisotropy (ECA) is switchable by flipping the polarization. By symmetry analysis, we identify several point groups hosting the polarization-switchable ECA. These point groups simultaneously enable polarization-reversal induced conductivity change along specific directions, akin to the tunnelling electroresistance in ferroelectric tunnel junctions. First-principles-based conductivity calculations predict that piezoelectric AlP and ferroelectric KH$_2$PO$_4$ are two good semiconductors having such exotic charge transport. Our theory can motivate the design of intriguing anisotropic electronic devices (e.g., anisotropic memristor and field effect transistor).

cond-mat.mtrl-sci↗

arXiv2025

A Tilting-Rotor Enhanced Quadcopter Fault-Tolerant Control Based on Non-Linear Model Predictive Control

This paper proposes a fault-tolerant control strategy based on a tilt-rotor quadcopter prototype, utilizing nonlinear model predictive control to maintain both attitude and position stability in the event of rotor failure. The control strategy employs an extended state observer to predict model deviations following a fault and adjusts the original model in the subsequent time step, thereby achieving active fault-tolerant control. The proposed method is evaluated through simulations and compared to both traditional quadcopter and tilt-rotor quadcopter without observer under identical conditions. The results demonstrate that the tilt-rotor quadcopter can maintain position control without sacrificing yaw stability, unlike traditional quadcopters.

eess.SY↗

arXiv2025

Bridging Theory and Experiment in Materials Discovery: Machine-Learning-Assisted Prediction of Synthesizable Structures

Even though thermodynamic energy-based crystal structure prediction (CSP) has revolutionized materials discovery, the energy-driven CSP approaches often struggle to identify experimentally realizable metastable materials synthesized through kinetically controlled pathways, creating a critical gap between theoretical predictions and experimental synthesis. Here, we propose a synthesizability-driven CSP framework that integrates symmetry-guided structure derivation with a Wyckoff encode-based machine-learning model, allowing for the efficient localization of subspaces likely to yield highly synthesizable structures. Within the identified promising subspaces, a structure-based synthesizability evaluation model, fine-tuned using recently synthesized structures to enhance predictive accuracy, is employed in conjunction with ab initio calculations to systematically identify synthesizable candidates. The framework successfully reproduces 13 experimentally known XSe (X = Sc, Ti, Mn, Fe, Ni, Cu, Zn) structures, demonstrating its effectiveness in predicting synthesizable structures. Notably, 92,310 structures are filtered from the 554,054 candidates predicted by GNoME, exhibiting great potential for promising synthesizability. Additionally, eight thermodynamically favorable Hf-X-O (X = Ti, V, and Mn) structures have been identified, among which three HfV$_2$O$_7$ candidates exhibit high synthesizability, presenting viable candidates for experimental realization and potentially associated with experimentally observed temperature-induced phase transitions. This work establishes a data-driven paradigm for machine-learning-assisted inorganic materials synthesis, highlighting its potential to bridge the gap between computational predictions and experimental realization while unlocking new opportunities for the targeted discovery of novel functional materials.

cond-mat.mtrl-sci↗

arXiv2025

CrystalFlow: A Flow-Based Generative Model for Crystalline Materials

Deep learning-based generative models have emerged as powerful tools for modeling complex data distributions and generating high-fidelity samples, offering a transformative approach to efficiently explore the configuration space of crystalline materials. In this work, we present CrystalFlow, a flow-based generative model specifically developed for the generation of crystalline materials. CrystalFlow constructs Continuous Normalizing Flows to model lattice parameters, atomic coordinates, and/or atom types, which are trained using Conditional Flow Matching techniques. Through an appropriate choice of data representation and the integration of a graph-based equivariant neural network, the model effectively captures the fundamental symmetries of crystalline materials, which ensures data-efficient learning and enables high-quality sampling. Our experiments demonstrate that CrystalFlow achieves state-of-the-art performance across standard generation benchmarks, and exhibits versatile conditional generation capabilities including producing structures optimized for specific external pressures or desired material properties. These features highlight the model's potential to address realistic crystal structure prediction challenges, offering a robust and efficient framework for advancing data-driven research in condensed matter physics and material science.

cond-mat.mtrl-sci↗

arXiv2025

PD-SORT: Occlusion-Robust Multi-Object Tracking Using Pseudo-Depth Cues

Multi-object tracking (MOT) is a rising topic in video processing technologies and has important application value in consumer electronics. Currently, tracking-by-detection (TBD) is the dominant paradigm for MOT, which performs target detection and association frame by frame. However, the association performance of TBD methods degrades in complex scenes with heavy occlusions, which hinders the application of such methods in real-world scenarios.To this end, we incorporate pseudo-depth cues to enhance the association performance and propose Pseudo-Depth SORT (PD-SORT). First, we extend the Kalman filter state vector with pseudo-depth states. Second, we introduce a novel depth volume IoU (DVIoU) by combining the conventional 2D IoU with pseudo-depth. Furthermore, we develop a quantized pseudo-depth measurement (QPDM) strategy for more robust data association. Besides, we also integrate camera motion compensation (CMC) to handle dynamic camera situations. With the above designs, PD-SORT significantly alleviates the occlusion-induced ambiguous associations and achieves leading performances on DanceTrack, MOT17, and MOT20. Note that the improvement is especially obvious on DanceTrack, where objects show complex motions, similar appearances, and frequent occlusions. The code is available at https://github.com/Wangyc2000/PD_SORT.

cs.CV↗

arXiv2024

Fast and stable tight-binding framework for nonlocal kinetic energy density functional reconstruction in orbital-free density functional calculations

Nonlocal kinetic energy density functionals (KEDFs) with density-dependent kernels are currently the most accurate functionals available for orbital-free density functional theory (OF-DFT) calculations. However, despite advances in numerical techniques and using only (semi)local density-dependent kernels, nonlocal KEDFs still present substantial computational costs in OF-DFT, limiting their application in large-scale material simulations. To address this challenge, we propose an efficient framework for reconstructing nonlocal KEDFs by incorporating the density functional tight-binding approach, in which the energy functionals are simplified through a first-order functional expansion based on the superposition of free-atom electron densities. This strategy allows the computationally expensive nonlocal kinetic energy and potential calculations to be performed only once during the electron density optimization process, significantly reducing computational overhead while maintaining high accuracy. Benchmark tests using advanced nonlocal KEDFs, such as revHC and LDAK-MGPA, on standard structures including Li, Mg, Al, Ga, Si, III-V semiconductors, as well as Mg$_{50}$ and Si$_{50}$ clusters, demonstrate that our method achieves orders-of-magnitude improvements in efficiency, providing a cost-effective balance between accuracy and computational speed. Additionally, the reconstructed functionals exhibit improved numerical stability for both bulk and finite systems, paving the way for developing more sophisticated KEDFs for realistic material simulations using OF-DFT.

cond-mat.mtrl-sci↗

arXiv2024

Location-Based Service (LBS) Data Quality Metrics and Effects on Mobility Inference

Today, GPS-equipped mobile devices are ubiquitous, and they generate Location-Based Service (LBS) data, which has become a critical resource for understanding human mobility. However, inherent limitations in LBS datasets, primarily characterized by discontinuity and sparsity, may introduce significant biases in representing individual movement patterns. This study develops data quality metrics for LBS data, examines their disparities among different populations, and quantifies their effects on inferred individual movement, stays in particular, in the Boston Metropolitan Area. We find that data from higher-income, more educated, and predominantly white census block groups (CBGs) show higher sampling rates but paradoxically lower data quality. This contradiction may stem from greater privacy awareness in these communities. Additionally, we propose a new framework to resample LBS data and quantitatively evaluate the inferential biases associated with data of varying quality. This versatile framework can analyze the impacts originating from different data processing workflows with LBS data. Using linear regression models with clustered standard error, we assess the impact of data quality metrics on inferring the number of stay points. The results show that better data quality, characterized by the number of observations and temporal occupancy, can significantly reduce the bias when calculating the stay points of an individual. The introduction of additional data quality metrics into the regression model can further explain the bias. Overall, this study provides insights into how data quality can influence our understanding of human mobility patterns, highlighting the importance of carefully handling LBS data in research.

cs.CE↗

arXiv2024

Deep learning generative model for crystal structure prediction

Recent advances in deep learning generative models (GMs) have created high capabilities in accessing and assessing complex high-dimensional data, allowing superior efficiency in navigating vast material configuration space in search of viable structures. Coupling such capabilities with physically significant data to construct trained models for materials discovery is crucial to moving this emerging field forward. Here, we present a universal GM for crystal structure prediction (CSP) via a conditional crystal diffusion variational autoencoder (Cond-CDVAE) approach, which is tailored to allow user-defined material and physical parameters such as composition and pressure. This model is trained on an expansive dataset containing over 670,000 local minimum structures, including a rich spectrum of high-pressure structures, along with ambient-pressure structures in Materials Project database. We demonstrate that the Cond-CDVAE model can generate physically plausible structures with high fidelity under diverse pressure conditions without necessitating local optimization, accurately predicting 59.3% of the 3,547 unseen ambient-pressure experimental structures within 800 structure samplings, with the accuracy rate climbing to 83.2% for structures comprising fewer than 20 atoms per unit cell. These results meet or exceed those achieved via conventional CSP methods based on global optimization. The present findings showcase substantial potential of GMs in the realm of CSP.

cond-mat.mtrl-sci↗

arXiv2024

Pretrained Mobility Transformer: A Foundation Model for Human Mobility

Ubiquitous mobile devices are generating vast amounts of location-based service data that reveal how individuals navigate and utilize urban spaces in detail. In this study, we utilize these extensive, unlabeled sequences of user trajectories to develop a foundation model for understanding urban space and human mobility. We introduce the \textbf{P}retrained \textbf{M}obility \textbf{T}ransformer (PMT), which leverages the transformer architecture to process user trajectories in an autoregressive manner, converting geographical areas into tokens and embedding spatial and temporal information within these representations. Experiments conducted in three U.S. metropolitan areas over a two-month period demonstrate PMT's ability to capture underlying geographic and socio-demographic characteristics of regions. The proposed PMT excels across various downstream tasks, including next-location prediction, trajectory imputation, and trajectory generation. These results support PMT's capability and effectiveness in decoding complex patterns of human mobility, offering new insights into urban spatial functionality and individual mobility preferences.

cs.LG↗

arXiv2024

Nonlocal free-energy density functional for warm dense matter

Finite-temperature orbital-free density functional theory (FT-OFDFT) holds significant promise for simulating warm dense matter due to its favorable scaling with both system size and temperature. However, the lack of the numerically accurate and transferable noninteracting free energy functionals results in a limit on the application of FT-OFDFT for warm dense matter simulations. Here, a nonlocal free energy functional, named XWMF, was derived by line integrals for FT-OFDFT simulations. Particularly, a designed integral path, wherein the electronic density varies from uniform to inhomogeneous, was employed to accurately describe deviations in response behavior from the uniform electron gas. The XWMF has been benchmarked by a range of warm dense matter systems including the Si, Al, H, He, and H-He mixture. The simulated results demonstrate that FT-OFDFT within XWMF achieves remarkable performance for accuracy and numerical stability. It is worth noting that XWMF exhibits a low computational cost for large-scale ab~initio simulations, offering exciting opportunities for the realistic simulations of warm dense matter systems covering a broad range of temperatures and pressures.

physics.comp-ph↗