arXiv subjects

Yanbing Zhou

Publications and source records attributed to Yanbing Zhou.

13 recordsLinked to original sources

arXiv2026

LogiScope-VQA: Benchmarking Vision-Language Models for Logistics Hazard Identification in Industrial Scenarios

Large Multimodal Models (LMMs) large-scale deployment in industrial warehouse settings specifically necessitates that models exhibit human-expert-level hazard-oriented perception, understanding, and reasoning capabilities. However, the scarcity of real industrial data, tightly coupled to commercial terms, significantly hampers further advancement. To bridge this gap, we curate LogiScope-VQA to investigate the practical applicability of mainstream LMMs in real-world logistics operations. LogiScope-VQA comprises 2,476 images and 2,918 videos primarily sourced from real-world logistics parks, along with 10,274 VQAs meticulously curated and validated by human annotators. Grounded in 18 core objects and 20 risk types, we devise 39 subtasks aligned with three principal themes: industrial element perception, warehouse knowledge understanding, and potential risk reasoning. Furthermore, we incorporate dynamic thinking-budget configurations and dual-dimensional risk bias analyses to elucidate the properties of LMMs. Extensive experiments unveil that even powerful proprietary models, including GPT-5.5, Gemini-3.1-Pro, and Claude-Opus-4.7, exhibit a significant gap relative to human performance. The unique challenge of jointly integrating perception, understanding, and reasoning for hazard identification poses substantial headroom for further improvement on LogiScope-VQA. We additionally reveal the pervasive security bias issue that impedes LLMs' practical deployment in real-world settings. The industrial dataset is publicly available under the CC BY-NC-SA 4.0 license.

cs.CV↗

arXiv2025

Quantum Algorithms for Photoreactivity in Cancer-Targeted Photosensitizers

Photodynamic therapy (PDT) is a targeted cancer treatment that uses light-activated photosensitizers to generate reactive oxygen species that selectively destroy tumor cells, generally causing less collateral damage than conventional treatments. However, its clinical success hinges on the availability of photosensitizers with strong optical sensitivity and high efficiency in generating reactive oxygen species. While classical computational methods have provided useful insights into photosensitizer design, they struggle to scale and often lack the accuracy needed for these simulations. In this work, we show how fault-tolerant quantum algorithms can be used to identify promising photosensitizer candidates for PDT. To predict photosensitizer performance, we assess two computational properties. First, we quantify light sensitivity by calculating the cumulative absorption in the therapeutic window with a threshold projection algorithm. Second, we determine the efficiency of reactive oxygen generation by estimating intersystem crossing (ISC) rates using the evolution-proxy approach, complemented by a vibronic dynamic treatment where appropriate. We apply these algorithms to a clinically relevant and actively pursued class of photosensitizers, BODIPY derivatives, including heavy-atom and transition-metal-substituted systems that are challenging for classical methods. Our resource estimates, obtained with PennyLane, suggest that systems with active spaces ranging from 11 to 45 spatial orbitals can be simulated using $180$-$350$ logical qubits and Toffoli gate depths between $10^7$ and $10^9$, placing our algorithms within reach of realistic fault-tolerant quantum devices. This paves the way to an efficient quantum-based workflow for designing photosensitizers that can accelerate the discovery of new PDT agents.

quant-ph↗

arXiv2025

Assessing Finite Scalability in Early Fault-Tolerant Quantum Computing for Homogeneous Catalysts

As quantum hardware advances toward fault-tolerant operation, an intermediate stage known as early fault-tolerant quantum computing (EFTQC) is emerging, where partial error correction enables meaningful computation. In this regime, the ability of quantum processors to scale in size and depth has become a crucial factor shaping their achievable performance. This study investigates how finite scalability influences resource requirements for simulating open-shell catalytic systems using Quantum Phase Estimation (QPE). The analysis compares hardware archetypes distinguished by fidelity or operation speed under two representative scalability models. Finite scalability increases qubit and runtime demands yet leaves overall scaling behavior intact, with high-fidelity architectures requiring lower minimum scalability to solve equally sized problems. These effects are largely independent of the chosen scalability model. Extending this framework, we examine runtime competitiveness across hardware and code configurations, incorporating surface-code and quantum Low-Density Parity-Check (LDPC)-based fault tolerance under finite scalability. The results identify operating regimes where high-fidelity architectures remain competitive despite slower gate speeds and show that LDPC codes further expand this regime by reducing space-time overhead. Together, these findings highlight the central role of scalability in quantifying performance and guiding the design of next-generation quantum hardware. Continued progress in scalable architectures will be essential for extending quantum computing to increasingly complex scientific and industrial applications.

quant-ph↗

arXiv2025

Quantum algorithms to detect ODMR-active defects for quantum sensing applications

Spin defects in two-dimensional materials are a promising platform for quantum sensing. Simulating the defect's optical response and optically detected magnetic resonance (ODMR) contrast is key to identifying suitable candidates. However, existing simulation methods are typically unable to supply the required accuracy. Here, we propose two quantum algorithms to detect an imbalance in the triplet-to-singlet intersystem crossing (ISC) rates between excited states with the same and different spin projections -- a necessary condition for nonzero ODMR response. The lowest-cost approach evaluates whether the evolution of an $S=0$ state under the spin-orbit coupling induces ISC to $S=1$, and also whether there is an imbalance in its intensity depending on the final state spin projection. The second approach works by comparing the emission spectrum of a spin defect with and without the spin-orbit coupling operator, inferring ISC intensity for different spin transition channels from spectrum intensity changes. Additionally, we present an improved scheme to evaluate the defect's optical response, building upon previous work. We study these quantum algorithms in the context of the negatively charged boron vacancy in hexagonal boron nitride. We generate an embedded active space of 18 spatial orbitals using quantum defect embedding theory (QDET) and show that the ISC rate imbalance can be detected with as few as 105 logical qubits and $4.41 \times 10^8$ Toffoli gates. By avoiding direct and costly rate calculations, our methods enable faster screening of candidate defects for ODMR activity, advancing the prospect of using quantum simulations to aid the development of high-performing sensing devices.

quant-ph↗

arXiv2025

QB Ground State Energy Estimation Benchmark

Ground State Energy Estimation (GSEE) is a central problem in quantum chemistry and condensed matter physics, demanding efficient algorithms to solve complex electronic structure calculations. This work introduces a structured benchmarking framework for evaluating the performance of both classical and quantum solvers on diverse GSEE problem instances. We assess three prominent methods -- Semistochastic Heat-Bath Configuration Interaction (SHCI), Density Matrix Renormalization Group (DMRG), and Double-Factorized Quantum Phase Estimation (DF QPE) -- ighlighting their respective strengths and limitations. Our results show that fully optimized SHCI achieves near-universal solvability on the benchmark set, DMRG excels for low-entanglement systems, and DF QPE is currently constrained by hardware and algorithmic limitations. However, we observe that many benchmark Hamiltonians are drawn from datasets tailored to SHCI and related approaches, introducing a bias that favors classical solvers. To mitigate this, we propose expanding the benchmark suite to include more challenging, strongly correlated systems to enable a more balanced and forward-looking evaluation of solver capabilities. As quantum hardware and algorithms improve, this benchmarking framework will serve as a vital tool for tracking progress and identifying domains where quantum methods may surpass classical techniques. The QB-GSEE benchmark repository is openly available at https://github.com/isi-usc-edu/qb-gsee-benchmark [1]. By maintaining a scalable and open resource, we aim to accelerate innovation in computational quantum chemistry and quantum computing.

quant-ph↗

arXiv2025

HtFLlib: A Comprehensive Heterogeneous Federated Learning Library and Benchmark

As AI evolves, collaboration among heterogeneous models helps overcome data scarcity by enabling knowledge transfer across institutions and devices. Traditional Federated Learning (FL) only supports homogeneous models, limiting collaboration among clients with heterogeneous model architectures. To address this, Heterogeneous Federated Learning (HtFL) methods are developed to enable collaboration across diverse heterogeneous models while tackling the data heterogeneity issue at the same time. However, a comprehensive benchmark for standardized evaluation and analysis of the rapidly growing HtFL methods is lacking. Firstly, the highly varied datasets, model heterogeneity scenarios, and different method implementations become hurdles to making easy and fair comparisons among HtFL methods. Secondly, the effectiveness and robustness of HtFL methods are under-explored in various scenarios, such as the medical domain and sensor signal modality. To fill this gap, we introduce the first Heterogeneous Federated Learning Library (HtFLlib), an easy-to-use and extensible framework that integrates multiple datasets and model heterogeneity scenarios, offering a robust benchmark for research and practical applications. Specifically, HtFLlib integrates (1) 12 datasets spanning various domains, modalities, and data heterogeneity scenarios; (2) 40 model architectures, ranging from small to large, across three modalities; (3) a modularized and easy-to-extend HtFL codebase with implementations of 10 representative HtFL methods; and (4) systematic evaluations in terms of accuracy, convergence, computation costs, and communication costs. We emphasize the advantages and potential of state-of-the-art HtFL methods and hope that HtFLlib will catalyze advancing HtFL research and enable its broader applications. The code is released at https://github.com/TsingZ0/HtFLlib.

cs.LG↗

arXiv2025

Origin of local magnetic exchange interaction in infiite-layer nickelates

Significant magnetic exchange interactions have been observed in infinite-layer nickelates RNiO2 (R = La, Pr, Nd), which exhibit unconventional superconductivity upon hole doping. Despite their structural and Fermi surface similarities to cuprates, infinite-layer nickelates possess a larger charge transfer gap, which influences their magnetic exchange interactions via oxygen. In this work, we performed 17O nuclear magnetic resonance (NMR) measurements on LaNiO2 and Sr-doped LaNiO2, revealing glassy spin dynamics originating from Ni-O planes. This indicates that infinite-layer nickelates are in proximity to magnetic ordering and that magnetic correlations play a crucial role in their physics. More importantly, our analysis of the Knight shift and hyperfine coupling of 17O nuclei revealed that the Ni-Ni superexchange interaction, mediated by the {\sigma} bond between the Ni-dx2-y2 and O-p orbitals, is one order of magnitude weaker than that in cuprates. This alone cannot account for the total magnetic exchange interaction observed in nickelates. First-principles many-body calculations indicate that an interstitial s orbital near the Fermi level, coupled with the Ni-d3z2-r2 orbital, significantly enhances the superexchange interaction. This contrasts with cuprates, where magnetic interactions are predominantly governed by Cu-dx2-y2 superexchange via oxygen. Our findings provide new insights into the distinct magnetic interactions in infinite-layer nickelates and their potential role in unconventional superconductivity.

cond-mat.supr-con↗

arXiv2025

FedSA: A Unified Representation Learning via Semantic Anchors for Prototype-based Federated Learning

Prototype-based federated learning has emerged as a promising approach that shares lightweight prototypes to transfer knowledge among clients with data heterogeneity in a model-agnostic manner. However, existing methods often collect prototypes directly from local models, which inevitably introduce inconsistencies into representation learning due to the biased data distributions and differing model architectures among clients. In this paper, we identify that both statistical and model heterogeneity create a vicious cycle of representation inconsistency, classifier divergence, and skewed prototype alignment, which negatively impacts the performance of clients. To break the vicious cycle, we propose a novel framework named Federated Learning via Semantic Anchors (FedSA) to decouple the generation of prototypes from local representation learning. We introduce a novel perspective that uses simple yet effective semantic anchors serving as prototypes to guide local models in learning consistent representations. By incorporating semantic anchors, we further propose anchor-based regularization with margin-enhanced contrastive learning and anchor-based classifier calibration to correct feature extractors and calibrate classifiers across clients, achieving intra-class compactness and inter-class separability of prototypes while ensuring consistent decision boundaries. We then update the semantic anchors with these consistent and discriminative prototypes, which iteratively encourage clients to collaboratively learn a unified data representation with robust generalization. Extensive experiments under both statistical and model heterogeneity settings show that FedSA significantly outperforms existing prototype-based FL methods on various classification tasks.

cs.LG↗

arXiv2024

Feasibility of accelerating homogeneous catalyst discovery with fault-tolerant quantum computers

The industrial manufacturing of chemicals consumes a significant amount of energy and raw materials. In principle, the development of new catalysts could greatly improve the efficiency of chemical production. However, the discovery of viable catalysts can be exceedingly challenging because it is difficult to know the efficacy of a candidate without experimentally synthesizing and characterizing it. This study explores the feasibility of using fault-tolerant quantum computers to accelerate the discovery of homogeneous catalysts for nitrogen fixation, an industrially important chemical process. It introduces a set of ground-state energy estimation problems representative of calculations needed for the discovery of homogeneous catalysts and analyzes them on three dimensions: economic utility, classical hardness, and quantum resource requirements. For the highest utility problem considered, two steps of a catalytic cycle for the generation of cyanate anion from dinitrogen, the economic utility of running these computations is estimated to be $200,000, and the required runtime for double-factorized phase estimation on a fault-tolerant superconducting device is estimated under conservative assumptions to be 139,000 QPU-hours. The computational cost of an equivalent DMRG calculation is estimated to be about 400,000 CPU-hours. These results suggest that, with continued development, it will be feasible for fault-tolerant quantum computers to accelerate the discovery of homogeneous catalysts.

quant-ph↗

arXiv2024

Pressure-enhanced spin-density-wave transition in double-layer nickelate $La_{3}Ni_{2}O_{7-\delta}$

Recently, a signature of high-temperature superconductivity above the liquid nitrogen temperature (77 K) was reported for $La_{3}Ni_{2}O_{7-\delta}$ under pressure. This finding immediately stimulated intense interest in the possible mechanism of high-$T_{c}$ superconductivity in double-layer nickelates. Notably, the pressure-dependent phase diagram inferred from transport measurements indicates that the superconductivity under high pressure emerges from the suppression of density-wave-like order at ambient pressure, which is similar to high-temperature superconductors. Here, nuclear magnetic resonance (NMR) spectroscopy of $^{139}La$ nuclei was performed to study the density-wave-like transition in a single crystal of $La_{3}Ni_{2}O_{7-\delta}$. At high temperatures, two sets of sharp $^{139}La$ NMR peaks are clearly distinguishable from a broad background signals, which are ascribed to La(1) sites from two bilayer Ruddlesden-Popper phases with different oxygen vacancy ${\delta}$. As the temperature decreases, the temperature-dependent $^{139}La$ NMR spectra and nuclear spin-lattice relaxation rate $(1/T_{1}$) for both La(1) sites provide evidence of spin-density-wave (SDW) ordering below the transition temperature ($T_{SDW}$), which is ~ 150 K. The anisotropic splitting in the NMR spectra suggests the formation of a possible double spin stripe with magnetic moments aligned along the c-axis. Furthermore, we studied the pressure-dependent SDW transition up to ~ 2.7 GPa. Surprisingly, the $T_{SDW}$ inferred from NMR measurements of both La(1) sites increases with increasing pressure, which is opposite to the results from previous transport measurements under pressure and suggests an intriguing phase diagram between superconductivity and SDW. All these results will be helpful for building a connection between superconductivity and magnetic interactions in double-layer nickelates.

cond-mat.supr-con↗

arXiv2023

Magnetic-field-induced electronic instability of Weyl-like fermions in compressed black phosphorus

Revealing the role of Coulomb interaction in topological semimetals with Dirac/Weyl-like band dispersion shapes a new frontier in condensed matter physics. Topological node-line semimetals (TNLSMs), anticipated as a fertile ground for exploring electronic correlation effects due to the anisotropy associated with their node-line structure, have recently attracted considerable attention. In this study, we report an experimental observation for correlation effects in TNLSMs realized by black phosphorus (BP) under hydrostatic pressure. By performing a combination of nuclear magnetic resonance measurements and band calculations on compressed BP, a magnetic-field-induced electronic instability of Weyl-like fermions is identified under an external magnetic field parallel to the so-called nodal ring in the reciprocal space. Anomalous spin fluctuations serving as the fingerprint of electronic instability are observed at low temperatures, and they are observed to maximize at approximately 1.0 GPa. This study presents compressed BP as a realistic material platform for exploring the rich physics in strongly coupled Weyl-like fermions.

cond-mat.str-el↗

arXiv2022

Emergent charge order and unconventional superconductivity in pressurized kagome superconductor CsV3Sb5

The discovery of multiple electronic orders in kagome superconductors AV3Sb5 (A = K, Rb, Cs) provides a promising platform for exploring unprecedented emergent physics. Under moderate pressure (< 2.2 GPa), the triple-Q charge density wave (CDW) order is monotonically suppressed by pressure, while the superconductivity displays a two-dome-like behavior, suggesting an unusual interplay between superconductivity and CDW order. Given that time-reversal symmetry breaking and electronic nematicity have been revealed inside the triple-Q CDW phase, understanding this CDW order and its interplay with superconductivity becomes one of the core questions in AV3Sb5. Here, we report the evolution of CDW and superconductivity with pressure in CsV3Sb5 by 51V nuclear magnetic resonance measurements. An emergent CDW phase, ascribed to a possible stripe-like CDW order with a unidirectional 4a0 modulation, is observed between Pc1 ~ 0.58 GPa and Pc2 ~ 2.0 GPa, which explains the two-dome-like superconducting behavior under pressure. Furthermore, the nuclear spin-lattice relaxation measurement reveals evidence for pressure-independent charge fluctuations above the CDW transition temperature and unconventional superconducting pairing above Pc2. Our results not only shed new light on the interplay of superconductivity and CDW but also reveal novel electronic correlation effects in kagome superconductors AV3Sb5.

cond-mat.supr-con↗

arXiv2021

Material specific optimization of Gaussian basis sets against plane wave data

Since in periodic systems, a given element may be present in different spatial arrangements displaying vastly different physical and chemical properties, an elemental basis set that is independent of physical properties of materials may lead to significant simulation inaccuracies. To avoid such a lack of material specificity within a given basis set, we present a material-specific Gaussian basis optimization scheme for solids, which simultaneously minimizes the total energy of the system and optimizes the band energies when compared to the reference plane wave calculation while taking care of the overlap matrix condition number. To assess this basis set optimization scheme, we compare the quality of the Gaussian basis sets generated for diamond, graphite, and silicon via our method against the existing basis sets. The optimization scheme of this work has also been tested on the existing Gaussian basis sets for periodic systems such as MoS$_2$ and NiO yielding improved results.

physics.chem-ph↗