arXiv subjects

Gia-Wei Chern

Publications and source records attributed to Gia-Wei Chern.

At least 55 records · Page 3Linked to original sources

arXiv2025

Quantum-Annealing Enhanced Machine Learning for Interpretable Phase Classification of High-Entropy Alloys

High entropy alloys (HEAs) offer unprecedented compositional flexibility for designing advanced materials, yet predicting their crystallographic phases remains a key bottleneck due to limited data and complex phase formation behavior. Here, we present a quantum-enhanced machine learning framework that leverages quantum annealing to enhance phase classification in HEAs. Our pipeline integrates Quantum Boosting (QBoost) for interpretable feature selection and classification, with Quantum Support Vector Machines (QSVM) that use quantum-enhanced kernels to capture nonlinear relationships between physical descriptors. By reformulating both models as Quadratic Unconstrained Binary Optimization (QUBO) problems, we exploit the efficient sampling capabilities of quantum annealers to achieve rapid training and robust generalization, demonstrating notable runtime reductions relative to classical baselines in our setup. We target six key phases: FCC, BCC, Sigma, Laves, Heusler, and AlXY B2, and benchmark model performance using both cross-validation and a rigorously curated test set of prior experimentally synthesized HEAs. The results confirm strong alignment between predicted and measured phases. Our findings demonstrate that quantum-enhanced classifiers match or exceed classical models in accuracy and offer insights grounded in interpretable physical descriptors. This work constitutes an important step toward practical quantum acceleration in materials discovery pipelines.

cond-mat.mtrl-sci↗

arXiv2025

Thermal Quench Dynamics of Visons in Gapless Kitaev Spin Liquid

The relaxation dynamics of the Kitaev honeycomb model under a thermal quench is dominated by the quasi-stochastic diffusion and pair annihilation of visions, which are gapped flux excitations of an emergent $\mathbb{Z}_2$ gauge field of the Kitaev spin liquid. Both the diffusion energy barrier as well as the effective interactions between visons are mediated by the Majorana fermions which are fractionalized quasiparticles of the spin liquid. Through extensive kinetic Monte Carlo simulations, we show that the interplay between the thermal diffusion and nonlocal multi-vision interactions leads to a variety of temperature-dependent dynamical behaviors ranging from diffusion-limited and terminal-velocity-limited annihilation to dynamical arresting and freezing. Notably, we show that the freezing phenomenon is intimately related to the formation of metastable $\sqrt{3}\times\sqrt{3}$ vison crystals and a hidden coarsening of super-clusters associated with a broken $\mathbb{Z}_3$ symmetry.

cond-mat.str-el↗

arXiv2025

Generalized Parton Distributions from Symbolic Regression

AI/ML informed Symbolic Regression is the next stage of scientific modeling. We utilize a highly customizable symbolic regression package ``PySR" to model the $x$ and $t$ dependence of the flavor isovector combination $H_{u-d}(x,t,ξ)$ at $ξ=0$. These PySR models were trained on GPD results provided by both Lattice QCD and phenomenological sources GGL, GK, and VGG. We demonstrate, for the first time, the consistency and systematic convergence of Symbolic Regression by quantifying the disparate models through their Taylor expansion coefficients. In addition to PySR penalizing models with higher complexity and mean-squared error, we implement schemes that test specific physics hypotheses, including force-factorized $x$ and $t$ dependence and Regge behavior in PySR GPDs. We show that PySR can identify factorizing GPD sources based on their response to the Force-Factorized model. Knowing the precise behavior of the GPDs, and their uncertainties in a wide range in $x$ and $t$, crucially impacts our ability to concretely and quantitatively predict hadronic spatial distributions and their derived quantities.

hep-ph↗

arXiv2025

Likelihood and Correlation Analysis of Compton Form Factors for Deeply Virtual Exclusive Scattering on the Nucleon

A likelihood analysis of the observables in deeply virtual exclusive photoproduction off a proton target, $ep \rightarrow e' p' γ'$, is presented. Two processes contribute to the reaction: deeply virtual Compton scattering, where the photon is produced at the proton vertex, and the Bether-Heitler process, where the photon is radiated from the electron. We consider the unpolarized process for which the largest amount of data with all the kinematic dependences are available from corresponding datasets with unpolarized beams and unpolarized targets from Jefferson Lab. We provide and use a method which derives a joint likelihood of the Compton form factors, which parametrize the deeply virtual Compton scattering amplitude in QCD, for each observed combination of the kinematic variables defining the reaction. The unpolarized twist-two cross section likelihood fully constrains only three of the Compton form factors (CFFs). The impact of the twist-three corrections to the analysis is also explored. The derived likelihoods are explored using Markov chain Monte Carlo (MCMC) methods. Using our proposed method we derive CFF error bars and covariances. Additionally, we explore methods which may reduce the magnitude of error bars/contours in the future.

hep-ph↗

arXiv2025

Coarsening dynamics of Ising-nematic order in a frustrated Heisenberg antiferromagnet

We study the phase ordering dynamics of the classical antiferromagnetic $J_1$-$J_2$ (nearest-neighbor and next-nearest-neighbor couplings) Heisenberg model on the square lattice in the strong frustration regime ($J_2/J_1 > 1/2$). While thermal fluctuations preclude any long-range magnetic order at finite temperatures, the system exhibits a long-range spin-driven nematic phase at low temperatures. The transition into the nematic phase is further shown to belong to the two-dimensional Ising universality class based on the critical exponents near the phase transition. Our large-scale stochastic Landau-Lifshitz-Gilbert simulations find a two-stage phase ordering when the system is quenched from a high-temperature paramagnetic state into the nematic phase. In the early stage, collinear alignments of spins lead to a locally saturated Ising-nematic order. Once domains of well-defined Ising order are developed, the late-stage relaxation is dominated by curvature-driven domain coarsening, as described by the Allen-Cahn equation. The characteristic size of Ising-nematic domains scales as the square root of time, similar to the kinetic Ising model described by the time-dependent Ginzburg-Landau theory. Our results confirm that the late-stage ordering kinetics of the spin-driven nematic, which is a vestigial order of the frustrated Heisenberg model, belongs to the dynamical universality class of a non-conserved Ising order. Interestingly, the system shows no violation of the superuniversality hypothesis under weak bond disorder. The dynamic scaling invariance is preserved in the presence of weak bond disorder. We also discuss possible applications of our results to materials for which vestigial Ising-nematic order is realized.

cond-mat.str-el↗

arXiv2025

Machine Learning Force-Field Approach for Itinerant Electron Magnets

We review the recent development of machine-learning (ML) force-field frameworks for Landau-Lifshitz-Gilbert (LLG) dynamics simulations of itinerant electron magnets, focusing on the general theory and implementations of symmetry-invariant representations of spin configurations. The crucial properties that such magnetic descriptors must satisfy are differentiability with respect to spin rotations and invariance to both lattice point-group symmetry and internal spin rotation symmetry. We propose an efficient implementation based on the concept of reference irreducible representations, modified from the group-theoretical power-spectrum and bispectrum methods. The ML framework is demonstrated using the s-d models, which are widely applied in spintronics research. We show that LLG simulations based on local fields predicted by the trained ML models successfully reproduce representative non-collinear spin structures, including 120$^\circ$, tetrahedral, and skyrmion crystal orders of the triangular-lattice s-d models. Large-scale thermal quench simulations enabled by ML models further reveal intriguing freezing dynamics and glassy stripe states consisting of skyrmions and bi-merons. Our work highlights the utility of ML force-field approach to dynamical modeling of complex spin orders in itinerant electron magnets.

cond-mat.str-el↗

arXiv2024

Enhanced coarsening of charge density waves induced by electron correlation: Machine-learning enabled large-scale dynamical simulations

The phase ordering kinetics of emergent orders in correlated electron systems is a fundamental topic in non-equilibrium physics, yet it remains largely unexplored. The intricate interplay between quasiparticles and emergent order-parameter fields could lead to unusual coarsening dynamics that is beyond the standard theories. However, accurate treatment of both quasiparticles and collective degrees of freedom is a multi-scale challenge in dynamical simulations of correlated electrons. Here we leverage modern machine learning (ML) methods to achieve a linear-scaling algorithm for simulating the coarsening of charge density waves (CDWs), one of the fundamental symmetry breaking phases in functional electron materials. We demonstrate our approach on the square-lattice Hubbard-Holstein model and uncover an intriguing enhancement of CDW coarsening which is related to the screening of on-site potential by electron-electron interactions. Our study provides fresh insights into the role of electron correlations in non-equilibrium dynamics and underscores the promise of ML force-field approaches for advancing multi-scale dynamical modeling of correlated electron systems.

cond-mat.str-el↗

arXiv2024

Echo State network for coarsening dynamics of charge density waves

An echo state network (ESN) is a type of reservoir computer that uses a recurrent neural network with a sparsely connected hidden layer. Compared with other recurrent neural networks, one great advantage of ESN is the simplicity of its training process. Yet, despite the seemingly restricted learnable parameters, ESN has been shown to successfully capture the spatial-temporal dynamics of complex patterns. Here we build an ESN to model the coarsening dynamics of charge-density waves (CDW) in a semi-classical Holstein model, which exhibits a checkerboard electron density modulation at half-filling stabilized by a commensurate lattice distortion. The inputs to the ESN are local CDW order-parameters in a finite neighborhood centered around a given site, while the output is the predicted CDW order of the center site at the next time step. Special care is taken in the design of couplings between hidden layer and input nodes to ensure lattice symmetries are properly incorporated into the ESN model. Since the model predictions depend only on CDW configurations of a finite domain, the ESN is scalable and transferrable in the sense that a model trained on dataset from a small system can be directly applied to dynamical simulations on larger lattices. Our work opens a new avenue for efficient dynamical modeling of pattern formations in functional electron materials.

cond-mat.stat-mech↗

arXiv2024

Ferromagnetic ordering in mazelike stripe liquid of a dipolar six-state clock model

We present a comprehensive numerical study of a six-state clock model with a long-range dipolar type interaction. This model is motivated by the ferroelectric orders in the multiferroic hexagonal manganites. At low temperatures, trimerization of local atomic structures leads to six distinct but energetically degenerate structural distortion, which can be modeled by a six-state clock model. Moreover, the atomic displacements in the trimerized state further produce a local electric polarization whose sign depends on whether the clock variable is even or odd. These induced electric dipoles, which can be modeled by emergent Ising degrees of freedom, interact with each other via long-range dipolar interactions. Extensive Monte Carlo simulations are carried out to investigate low temperature phases resulting from the competing interactions. Upon lowering temperature, the system undergoes two Berezinskii-Kosterlitz-Thouless (BKT) transitions, characteristic of the standard six-state clock model in two dimensions. The dipolar interaction between emergent Ising spins induces a first-order transition into a ground state characterized by a three-fold degenerate stripe order. The intermediate phase between the discontinuous and the second BKT transition corresponds to a maze-like hexagonal liquid with short-range stripe ordering. Moreover, this intermediate phase also exhibits an unusual ferromagnetic order with two adjacent clock variables occupying the two types of stripes of the labyrinthine pattern.

cond-mat.stat-mech↗

arXiv2024

Machine learning force-field model for kinetic Monte Carlo simulations of itinerant Ising magnets

We present a scalable machine learning (ML) framework for large-scale kinetic Monte Carlo (kMC) simulations of itinerant electron Ising systems. As the effective interactions between Ising spins in such itinerant magnets are mediated by conducting electrons, the calculation of energy change due to a local spin update requires solving an electronic structure problem. Such repeated electronic structure calculations could be overwhelmingly prohibitive for large systems. Assuming the locality principle, a convolutional neural network (CNN) model is developed to directly predict the effective local field and the corresponding energy change associated with a given spin update based on Ising configuration in a finite neighborhood. As the kernel size of the CNN is fixed at a constant, the model can be directly scalable to kMC simulations of large lattices. Our approach is reminiscent of the ML force-field models widely used in first-principles molecular dynamics simulations. Applying our ML framework to a square-lattice double-exchange Ising model, we uncover unusual coarsening of ferromagnetic domains at low temperatures. Our work highlights the potential of ML methods for large-scale modeling of similar itinerant systems with discrete dynamical variables.

cond-mat.stat-mech↗

arXiv2024

Gapless dispersive continuum in a modulated quantum kagome antiferromagnet

The pursuit of quantum spin liquid (QSL) states in condensed matter physics has drawn attention to kagome antiferromagnets (AFM) where a two-dimensional corner-sharing network of triangles frustrates conventional magnetic orders. While quantum kagome AFMs based on Cu$^{2+}$ (3d$^9$, $s=\frac{1}{2}$) ions have been extensively studied, there is so far little work beyond copper-based systems. Here we present our bulk magnetization, specific heat and neutron scattering studies on single crystals of a new titanium fluoride Cs$_8$RbK$_3$Ti$_{12}$F$_{48}$ where Ti$^{3+}$ (3d$^1$, $s = \frac{1}{2}$) ions form a modulated quantum kagome antiferromagnet that does not order magnetically down to 1.5 K. Our comprehensive map of the dynamic response function $S(Q,\hbarω)$ acquired at 1.5 K where the heat capacity is T-linear reveals a dispersive continuum emanating from soft lines that extend along (100). The data indicate fractionalized spinon-like excitations with quasi-one-dimensional dispersion within a quasi-two-dimensional spin system.

cond-mat.str-el↗

arXiv2024

Machine Learning Assisted Characterization of Labyrinthine Pattern Transitions

We present a comprehensive approach to characterizing labyrinthine structures that often emerge as a final steady state in pattern forming systems. We employ advanced machine learning based pattern recognition techniques to identify the types and locations of topological defects of the local stripe ordering. Applying this method to single-crystal Bi-substituted Yttrium Iron Garnet films, we uncover a distinct morphological transition between two zero-field labyrinthine structures. Crucially, the pair distribution functions of the topological defects reveal subtle differences between labyrinthine structures which are beyond conventional characterization methods. By systematically analyzing the spatial correlations and geometric properties of these defects, we provide new insights into the athermal dynamics governing the observed morphological transitions. Our work demonstrates that machine learning based recognition techniques enable novel studies of rich and complex labyrinthine type structures universal to many pattern formation systems.

cond-mat.soft↗

arXiv2024

AI for Nuclear Physics: the EXCLAIM project

In overview of the recent activity of the newly funded EXCLusives with AI and Machine learning (EXCLAIM) collaboration is presented. The main goal of the collaboration is to develop a framework to implement AI and machine learning techniques in problems emerging from the phenomenology of high energy exclusive scattering processes from nucleons and nuclei, maximizing the information that can be extracted from various sets of experimental data, while implementing theoretical constraints from lattice QCD. A specific perspective embraced by EXCLAIM is to use the methods of theoretical physics to understand the working of ML, beyond its standardized applications to physics analyses which most often rely on industrially provided tools, in an automated way.

hep-ph↗

arXiv2024

Electronic glasses from a broken gauge symmetry in disorder-free systems

Glass phases can be stabilized by quenched disorders, as in most spin-glass materials, or self-generated through kinetic freezing in disorder-free systems. A canonical example of the latter is structural glasses, which have been extensively studied for many decades. Yet, how the rugged energy landscape of a glass phase is spontaneously generated in disorder-free systems remains one of the key questions in glass physics. Here we present a general electronic mechanism for the emergence of glassy phase using the example of itinerant electrons coupled to XY spins on a lattice. This model can also be be viewed as the mean-field theory of a superconducting system with attractive density-density interactions. Intriguingly, the electron gauge symmetry in the strong pairing limit gives rise to a macroscopic degeneracy of XY spins. In the presence of electron hopping that breaks the gauge symmetry, the lifting of the extensive degeneracy leads to a glass phase with disordered pairings. Our findings highlight a novel scenario in which a glassy state originates from the breaking of quantum gauge symmetry without quenched disorders.

cond-mat.dis-nn↗

arXiv2024

Machine learning approach for vibronically renormalized electronic band structures

We present a machine learning (ML) method for efficient computation of vibrational thermal expectation values of physical properties from first principles. Our approach is based on the non-perturbative frozen phonon formulation in which stochastic Monte Carlo algorithm is employed to sample configurations of nuclei in a supercell at finite temperatures based on a first-principles phonon model. A deep-learning neural network is trained to accurately predict physical properties associated with sampled phonon configurations, thus bypassing the time-consuming {\em ab initio} calculations. To incorporate the point-group symmetry of the electronic system into the ML model, group-theoretical methods are used to develop a symmetry-invariant descriptor for phonon configurations in the supercell. We apply our ML approach to compute the temperature dependent electronic energy gap of silicon based on density functional theory (DFT). We show that, with less than a hundred DFT calculations for training the neural network model, an order of magnitude larger number of sampling can be achieved for the computation of the vibrational thermal expectation values. Our work highlights the promising potential of ML techniques for finite temperature first-principles electronic structure methods.

cond-mat.mtrl-sci↗

arXiv2024

Variational autoencoder inverse mapper for extraction of Compton form factors: Benchmarks and conditional learning

Deeply virtual exclusive scattering processes (DVES) serve as precise probes of nucleon quark and gluon distributions in coordinate space. These distributions are derived from generalized parton distributions (GPDs) via Fourier transform relative to proton momentum transfer. QCD factorization theorems enable DVES to be parameterized by Compton form factors (CFFs), which are convolutions of GPDs with perturbatively calculable kernels. Accurate extraction of CFFs from DVCS, benefiting from interference with the Bethe-Heitler (BH) process and a simpler final state structure, is essential for inferring GPDs. This paper focuses on extracting CFFs from DVCS data using a variational autoencoder inverse mapper (VAIM) and its constrained variant (C-VAIM). VAIM is shown to be consistent with Markov Chain Monte Carlo (MCMC) methods in extracting multiple CFF solutions for given kinematics, while C-VAIM effectively captures correlations among CFFs across different kinematic values, providing more constrained solutions. This study represents a crucial first step towards a comprehensive analysis pipeline towards the extraction of GPDs.

hep-ph↗

arXiv2024

Provably Efficient Adiabatic Learning for Quantum-Classical Dynamics

Quantum-classical hybrid dynamics is crucial for accurately simulating complex systems where both quantum and classical behaviors need to be considered. However, coupling between classical and quantum degrees of freedom and the exponential growth of the Hilbert space present significant challenges. Current machine learning approaches for predicting such dynamics, while promising, remain unknown in their error bounds, sample complexity, and generalizability. In this work, we establish a generic theoretical framework for analyzing quantum-classical adiabatic dynamics with learning algorithms. Based on quantum information theory, we develop a provably efficient adiabatic learning (PEAL) algorithm with logarithmic system size sampling complexity and favorable time scaling properties. We benchmark PEAL on the Holstein model, and demonstrate its accuracy in predicting single-path dynamics and ensemble dynamics observables as well as transfer learning over a family of Hamiltonians. Our framework and algorithm open up new avenues for reliable and efficient learning of quantum-classical dynamics.

quant-ph↗

arXiv2024

Photo-induced pattern formations and melting of charge-density-wave order

We investigate the out-of-equilibrium dynamics of a photo-excited charge-density-wave (CDW) state in the square-lattice Holstein model, in a setup similar to a pump-probe experiment. At half-filling, the ground state of this system is characterized by a checkerboard modulation of particle densities, accompanied by a concomitant lattice distortion. An efficient real-space dynamics method integrating the von~Neumann equation for electron density matrix and Newton equation for classical lattice dynamics is developed to simulate the dynamical evolution of a photo-excited Holstein system. We find that the energy injected by a short pump pulse results in the reduction of the CDW order and the generation of coherent phonons. At strong photoexcitations, while the CDW order is melted in the sense that the time-averaged order parameter vanishes, a dynamical CDW state is self-sustained by the strong coherent phonon oscillations. Our large-scale simulations further uncover a dynamical regime of intermediate fluence where complex pattern formation is induced by the pump pulse. The emergent spatial textures are characterized by super density modulations on top of the short-range checkerboard CDW order. Our demonstration of pattern formation highlights the significance of dynamical inhomogeneity in quantum many-body systems in pump-probe experiments.

cond-mat.str-el↗