arXiv subjects

Xinhui Wu

Publications and source records attributed to Xinhui Wu.

14 recordsLinked to original sources

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

Non-local orbital-free density functional theory incorporating nuclear shell effects

Incorporating nuclear shell effects within the framework of orbital-free density functional theory (DFT) has remained a longstanding challenge in nuclear physics. While the Hohenberg-Kohn theorem formally guarantees the existence of an orbital-free density functional that is capable of describing all many-body effects, including shell effects, practical attempts since the 1970s have consistently failed to capture such effects. This persistent difficulty has even led to the misconception that the orbital-free DFT is inherently unable to describe nuclear shell effects. Here we develop a {\it non-local} orbital-free DFT approach for atomic nuclei and demonstrate that nuclear shell effects can be successfully incorporated into the orbital-free DFT through the construction of a non-local kinetic energy density functional. In particular, we show that the non-local orbital-free functional yields a nucleon localization function that, as an established indicator of shell effects, exhibits consistent behavior with the exact Kohn-Sham solution.

nucl-th↗

arXiv2026

I-MCTS: Enhancing Agentic AutoML via Introspective Monte Carlo Tree Search

Recent advancements in large language models (LLMs) have shown remarkable potential in automating machine learning tasks. However, existing LLM-based agents often struggle with low-diversity and suboptimal code generation. While recent work has introduced Monte Carlo Tree Search (MCTS) to address these issues, limitations persist in the quality and diversity of thoughts generated, as well as in the scalar value feedback mechanisms used for node selection. In this study, we introduce Introspective Monte Carlo Tree Search (I-MCTS), a novel approach that iteratively expands tree nodes through an introspective process that meticulously analyzes solutions and results from parent and sibling nodes. This facilitates a continuous refinement of the node in the search tree, thereby enhancing the overall decision-making process. Furthermore, we integrate a Large Language Model (LLM)-based value model to facilitate direct evaluation of each node's solution prior to conducting comprehensive computational rollouts. A hybrid rewarding mechanism is implemented to seamlessly transition the Q-value from LLM-estimated scores to actual performance scores. This allows higher-quality nodes to be traversed earlier. Applied to the various ML tasks, our approach demonstrates a 4% absolute improvement in performance compared to the strong open-source AutoML agents, showcasing its effectiveness in enhancing agentic AutoML systems. Resource available at https://github.com/jokieleung/I-MCTS

cs.CL↗

arXiv2026

ThinkRec: Thinking-based recommendation via LLM

Recent advances in large language models (LLMs) have enabled more semantic-aware recommendations through natural language generation. Existing LLM for recommendation (LLM4Rec) methods mostly operate in a System 1-like manner, relying on superficial features to match similar items based on click history, rather than reasoning through deeper behavioral logic. This often leads to superficial and erroneous recommendations. Motivated by this, we propose ThinkRec, a thinking-based framework that shifts LLM4Rec from System 1 to System 2 (rational system). Technically, ThinkRec introduces a thinking activation mechanism that augments item metadata with keyword summarization and injects synthetic reasoning traces, guiding the model to form interpretable reasoning chains that consist of analyzing interaction histories, identifying user preferences, and making decisions based on target items. On top of this, we propose an instance-wise expert fusion mechanism to reduce the reasoning difficulty. By dynamically assigning weights to expert models based on users' latent features, ThinkRec adapts its reasoning path to individual users, thereby enhancing precision and personalization. Extensive experiments on real-world datasets demonstrate that ThinkRec significantly improves the accuracy and interpretability of recommendations. Our implementations are available at https://github.com/Yu-Qi-hang/ThinkRec.

cs.IR↗

arXiv2025

Towards Adaptive ML Benchmarks: Web-Agent-Driven Construction, Domain Expansion, and Metric Optimization

Recent advances in large language models (LLMs) have enabled the emergence of general-purpose agents for automating end-to-end machine learning (ML) workflows, including data analysis, feature engineering, model training, and competition solving. However, existing benchmarks remain limited in task coverage, domain diversity, difficulty modeling, and evaluation rigor, failing to capture the full capabilities of such agents in realistic settings. We present TAM Bench, a diverse, realistic, and structured benchmark for evaluating LLM-based agents on end-to-end ML tasks. TAM Bench features three key innovations: (1) A browser automation and LLM-based task acquisition system that automatically collects and structures ML challenges from platforms such as Kaggle, AIcrowd, and Biendata, spanning multiple task types and data modalities (e.g., tabular, text, image, graph, audio); (2) A leaderboard-driven difficulty modeling mechanism that estimates task complexity using participant counts and score dispersion, enabling scalable and objective task calibration; (3) A multi-dimensional evaluation framework incorporating performance, format compliance, constraint adherence, and task generalization. Based on 150 curated AutoML tasks, we construct three benchmark subsets of different sizes -- Lite, Medium, and Full -- designed for varying evaluation scenarios. The Lite version, with 18 tasks and balanced coverage across modalities and difficulty levels, serves as a practical testbed for daily benchmarking and comparative studies.

cs.AI↗

arXiv2024

SEGMENT+: Long Text Processing with Short-Context Language Models

There is a growing interest in expanding the input capacity of language models (LMs) across various domains. However, simply increasing the context window does not guarantee robust performance across diverse long-input processing tasks, such as understanding extensive documents and extracting detailed information from lengthy and noisy data. In response, we introduce SEGMENT+, a general framework that enables LMs to handle extended inputs within limited context windows efficiently. SEGMENT+ utilizes structured notes and a filtering module to manage information flow, resulting in a system that is both controllable and interpretable. Our extensive experiments across various model sizes, focusing on long-document question-answering and Needle-in-a-Haystack tasks, demonstrate the effectiveness of SEGMENT+ in improving performance.

cs.CL↗

arXiv2024

Nuclear mass table in deformed relativistic Hartree-Bogoliubov theory in continuum, II: Even-$Z$ nuclei

The mass table in the deformed relativistic Hartree-Bogoliubov theory in continuum (DRHBc) with the PC-PK1 density functional has been established for even-$Z$ nuclei with $8\le Z\le120$, extended from the previous work for even-even nuclei [Zhang $\it{et.~al.}$ (DRHBc Mass Table Collaboration), At. Data Nucl. Data Tables 144, 101488 (2022)]. The calculated binding energies, two-nucleon and one-neutron separation energies, root-mean-square (rms) radii of neutron, proton, matter, and charge distributions, quadrupole deformations, and neutron and proton Fermi surfaces are tabulated and compared with available experimental data. A total of 4829 even-$Z$ nuclei are predicted to be bound, with an rms deviation of 1.477 MeV from the 1244 mass data. Good agreement with the available experimental odd-even mass differences, $α$ decay energies, and charge radii is also achieved. The description accuracy for nuclear masses and nucleon separation energies as well as the prediction for drip lines is compared with the results obtained from other relativistic and nonrelativistic density functional. The comparison shows that the DRHBc theory with PC-PK1 provides an excellent microscopic description for the masses of even-$Z$ nuclei. The systematics of the nucleon separation energies, odd-even mass differences, pairing energies, two-nucleon gaps, $α$ decay energies, rms radii, quadrupole deformations, potential energy curves, neutron density distributions, and neutron mean-field potentials are discussed.

nucl-th↗

arXiv2024

High order entropy stable schemes for the quasi-one-dimensional shallow water and compressible Euler equations

High order schemes are known to be unstable in the presence of shock discontinuities or under-resolved solution features for nonlinear conservation laws. Entropy stable schemes address this instability by ensuring that physically relevant solutions satisfy a semi-discrete entropy inequality independently of discretization parameters. This work extends high order entropy stable schemes to the quasi-1D shallow water equations and the quasi-1D compressible Euler equations, which model one-dimensional flows through channels or nozzles with varying width. We introduce new non-symmetric entropy conservative finite volume fluxes for both sets of quasi-1D equations, as well as a generalization of the entropy conservation condition to non-symmetric fluxes. When combined with an entropy stable interface flux, the resulting schemes are high order accurate, conservative, and semi-discretely entropy stable. For the quasi-1D shallow water equations, the resulting schemes are also well-balanced.

math.NA↗

arXiv2023

Deformed relativistic Hartree-Bogoliubov theory in continuum with a point-coupling functional. II. Examples of odd Nd isotopes

The aim of this work is to extend the deformed relativistic Hartree-Bogoliubov theory in continuum (DRHBc) based on the point-coupling density functionals to odd-$A$ and odd-odd nuclei and examine its applicability by taking odd-$A$ Nd isotopes as examples. In the DRHBc theory, the densities and potentials with axial deformation are expanded in terms of Legendre polynomials, and the relativistic Hartree-Bogoliubov equations are solved in a Dirac Woods-Saxon basis to include the continuum effects. For an odd-$A$ or odd-odd nucleus, the blocking effect of unpaired nucleon(s) is taken into account with the equal filling approximation. To determine its ground state, an automatic blocking procedure is adopted, in which the orbital with the lowest quasiparticle energy is blocked during the iteration. This procedure is justified by comparing with the results from the orbital-fixed blocking calculations, in which the blocked orbital near the Fermi surface is fixed during the iteration. The ground states for both light and heavy nuclei can be provided by the automatic blocking procedure as the orbital-fixed blocking procedure, but with considerably reduced computational cost. The numerical details for even-even nuclei are found to be valid for odd-$A$ and odd-odd nuclei as well. Taking Nd isotopes including both even-even and odd-$A$ ones as examples, the calculated ground-state properties with PC-PK1 are in good agreement with the available experimental data. This work paves the way to construct the DRHBc mass table including all even-even, odd-$A$ and odd-odd nuclei in the nuclear chart.

nucl-th↗

arXiv2022

Nuclear mass table in deformed relativistic Hartree-Bogoliubov theory in continuum: I. even-even nuclei

Ground-state properties of even-even nuclei with $8\le Z\le120$ from the proton drip line to the neutron drip line have been investigated using the deformed relativistic Hartree-Bogoliubov theory in continuum (DRHBc) with the density functional PC-PK1. With the effects of deformation and continuum included simultaneously, 2583 even-even nuclei are predicted to be bound. The calculated binding energies, two-nucleon separation energies, root-mean-square (rms) radii of neutron, proton, matter, and charge distributions, quadrupole deformations, and neutron and proton Fermi surfaces are tabulated and compared with available experimental data. The rms deviation from the 637 mass data is 1.518 MeV, providing one of the best microscopic descriptions for nuclear masses. The drip lines obtained from DRHBc calculations are compared with other calculations, including the spherical relativistic continuum Hartree-Bogoliubov (RCHB) and triaxial relativistic Hartree-Bogoliubov (TRHB) calculations with PC-PK1. The deformation and continuum effects on the limits of the nuclear landscape are discussed. Possible peninsulas consisting of bound nuclei beyond the two-neutron drip line are predicted. The systematics of the two-nucleon separation energies, two-nucleon gaps, rms radii, quadrupole deformations, potential energy curves, neutron densities, neutron mean-field potentials, and pairing energies in the DRHBc calculations are also discussed. In addition, the $α$ decay energies extracted are in good agreement with available data.

nucl-th↗

arXiv2021

Entropy stable discontinuous Galerkin methods for the shallow water equations with subcell positivity preservation

High order schemes are known to be unstable in the presence of shock discontinuities or under-resolved solution features, and have traditionally required additional filtering, limiting, or artificial viscosity to avoid solution blow up. Entropy stable schemes address this instability by ensuring that physically relevant solutions satisfy a semi-discrete entropy inequality independently of discretization parameters. However, additional measures must be taken to ensure that solutions satisfy physical constraints such as positivity. In this work, we present a high order entropy stable discontinuous Galerkin (ESDG) method for the nonlinear shallow water equations (SWE) on two-dimensional (2D) triangular meshes which preserves the positivity of the water heights. The scheme combines a low order positivity preserving method with a high order entropy stable method using convex limiting. This method is entropy stable and well-balanced for fitted meshes with continuous bathymetry profiles.

math.NA↗

arXiv2021

Entropy stable discontinuous Galerkin methods for nonlinear conservation laws on networks and multi-dimensional domains

We present a high-order entropy stable discontinuous Galerkin (ESDG) method for nonlinear conservation laws on both multi-dimensional domains and on networks constructed from one-dimensional domains. These methods utilize treatments of multi-dimensional interfaces and network junctions which retain entropy stability when coupling together entropy stable discretizations. Numerical experiments verify the stability of the proposed schemes, and comparisons with fully 2D implementations demonstrate the accuracy of each type of junction treatment.

math.NA↗

arXiv2020

High-order entropy stable discontinuous Galerkin methods for the shallow water equations: curved triangular meshes and GPU acceleration

We present a high-order entropy stable discontinuous Galerkin (ESDG) method for the two dimensional shallow water equations (SWE) on curved triangular meshes. The presented scheme preserves a semi-discrete entropy inequality and remains well-balanced for continuous bathymetry profiles. We provide numerical experiments which confirm the high-order accuracy and theoretical properties of the scheme, and compare the presented scheme to an entropy stable scheme based on simplicial summation-by-parts (SBP) finite difference operators. Finally, we report the computational performance of an implementation on Graphics Processing Units (GPUs) and provide comparisons to existing GPU-accelerated implementations of high-order DG methods on quadrilateral meshes.

math.NA↗

arXiv2020

Hybrid Graphene/Carbon Nanofiber Wax Emulsion for Paper-based Electronics and Thermal Management

Materials for electronics that function as electrical and/or thermal conductors are often rigid, expensive, difficult to be sourced and sometimes toxic. An electrically and thermally conductive nanocomposite that is lightweight, flexible and eco-friendly could improve the environmental friendliness of the electronics sector and enable new applications. Considering this, we have fabricated electrically and thermally conductive flexible materials by functionalizing paper with nanocarbon conductive inks. Carnauba wax is emulsified in isopropyl alcohol and mixed with graphene nanoplatelets (GNPs) or with hybrids of GNPs and carbon nanofibers (CNFs). The percolation threshold of the hybrid samples is lowered compared with the pure GNPs composites, due to their increased filler aspect ratio. The hybrid samples also exhibit superior bending and folding stability. Densification of the coating to decrease their sheet resistance enables them to achieve as low as ~ 50 Ω sq-1 for the GNP-based paper. The densification procedure improves the bending stability, the abrasion resistance, and the electromagnetic interference shielding of the paper-based conductors. Finally, the compressed samples show an impressive enhancement of their thermal diffusivity. The flexible and multifunctional nanocarbon coated paper is a promising electronic conductor and thermally dissipative material and, at the same time, can increase the environmental sustainability of the electronics sector.

physics.app-ph↗