arXiv subjects

Andrey Y. Lokhov

Publications and source records attributed to Andrey Y. Lokhov.

At least 19 recordsLinked to original sources

arXiv2026

Operator Score Matching for Learning Quantum Hamiltonians

Learning quantum Hamiltonians from low-temperature thermal state measurements is a fundamental problem in quantum physics. Scalability of existing methods is limited by the complexity of semidefinite optimization problems or partition function computation. Here, we develop a quantum analog of classical score matching method that exploits generalized notions of derivatives and integration by parts in operator algebras. We introduce a new \emph{Operator Score Matching} loss function that recovers Hamiltonian parameters by a simple gradient descent without the need to compute intractable normalization constants. Numerical experiments on the Gibbs states of the transverse-field Ising model, XXZ spin chain, Fermi-Hubbard model, and lattice $ϕ^4$ theory demonstrate efficient parameter recovery using finite-depth truncations of nested commutator expansions. Our results establish Operator Score Matching as a practical, partition-function-free framework for quantum Hamiltonian learning.

quant-ph↗

arXiv2026

Discrete Diffusion with Sample-Efficient Estimators for Conditionals

We study a discrete denoising diffusion framework that integrates a sample-efficient estimator of single-site conditionals with round-robin noising and denoising dynamics for generative modeling over discrete state spaces. Rather than approximating a discrete analog of a score function, our formulation treats single-site conditional probabilities as the fundamental objects that parameterize the reverse diffusion process. We employ a sample-efficient method known as Neural Interaction Screening Estimator (NeurISE) to estimate these conditionals in the diffusion dynamics. Controlled experiments on synthetic Ising models, MNIST, and scientific data sets produced by a D-Wave quantum annealer, synthetic Potts model and one dimensional quantum systems demonstrate the proposed approach. On the binary data sets, these experiments demonstrate that the proposed approach outperforms popular existing methods including ratio-based approaches, achieving improved performance in total variation, cross-correlations, and kernel density estimation metrics.

cs.LG↗

arXiv2026

Discrete distributions are learnable from metastable samples

Physically motivated stochastic dynamics are widely used to sample from high-dimensional distributions. However, such samplers often get trapped in metastable states, approximately sampling from a distribution that differs significantly from the desired stationary state. We rigorously show that for multivariable discrete distributions, the true stationary model can nevertheless be recovered from these metastable samples. This relies on a fundamental observation: for distributions satisfying a strong metastability condition, their single-variable conditional probabilities are on average extremely close to those of the true stationary distribution. This remains true even when the two distributions are far apart under global metrics such as Kullback-Leibler divergence. Consequently, we can effectively learn the true model using a conditional-likelihood estimator even when the samples are drawn from a restricted state space. Extending these general results to Ising models, we prove rigorous parameter and structure learning guarantees. Finally, we demonstrate this phenomenon numerically on higher-alphabet spin glass models.

stat.ML↗

arXiv2026

Symmetric Linear Dynamical Systems are Learnable from Few Observations

We consider the problem of learning the parameters of a $N$-dimensional stochastic linear dynamics under both full and partial observations from a single trajectory of time $T$. We introduce and analyze a new estimator that achieves a small maximum element-wise error on the recovery of symmetric dynamic matrices using only $T=\mathcal{O}(\log N)$ observations, irrespective of whether the matrix is sparse or dense. This estimator is based on the method of moments and does not rely on problem-specific regularization. This is especially important for applications such as structure discovery.

stat.ML↗

arXiv2026

Potential Applications of Quantum Computing at Los Alamos National Laboratory

The emergence of quantum computing technology over the last decade indicates the potential for a transformational impact in the study of quantum mechanical systems. It is natural to presume that such computing technologies would be valuable to large scientific institutions, such as United States national laboratories. However, detailed descriptions of what these institutions would like to use these computers for are limited. To help provide some initial insights into this topic, this report develops detailed use cases of how quantum computing technology could be utilized to enhance a variety of quantum physics research activities at Los Alamos National Laboratory, including quantum magnetic materials, high-temperature superconductivity and nuclear astrophysics simulations. The report discusses how current high-performance computers are used for scientific discovery today and develops detailed descriptions of the types of quantum physics simulations that Los Alamos National Laboratory scientists would like to conduct, if a sufficient computing technology became available. While the report strives to highlight the breadth of potential application areas for quantum computation, this investigation has also indicated that many more use cases exist at Los Alamos National Laboratory, which could be documented in similar detail with sufficient time and effort.

quant-ph↗

arXiv2026

Finite Sample Bounds for Learning with Score Matching

Learning of continuous exponential family distributions with unbounded support remains an important area of research for both theory and applications in high-dimensional statistics. In recent years, score matching has become a widely used method for learning exponential families with continuous variables due to its computational ease when compared against maximum likelihood estimation. However, theoretical understanding of the statistical properties of score matching is still lacking. In this work, we provide a non-asymptotic sample complexity analysis for learning the structure of exponential families of polynomials with score matching. The derived sample bounds show a polynomial dependence on the model dimension. These bounds are the first of its kind, as all prior work has shown only asymptotic bounds on the sample complexity.

cs.LG↗

arXiv2026

Selecting Optimal Variable Order in Autoregressive Ising Models

Autoregressive models enable tractable sampling from learned probability distributions, but their performance critically depends on the variable ordering used in the factorization via complexities of the resulting conditional distributions. We propose to learn the Markov random field describing the underlying data, and use the inferred graphical model structure to construct optimized variable orderings. We illustrate our approach on two-dimensional image-like models where a structure-aware ordering leads to restricted conditioning sets, thereby reducing model complexity. Numerical experiments on Ising models with discrete data demonstrate that graph-informed orderings yield higher-fidelity generated samples compared to naive variable orderings.

stat.ML↗

arXiv2026

Computationally sufficient statistics for Ising models

Learning Gibbs distributions using only sufficient statistics has long been recognized as a computationally hard problem. On the other hand, computationally efficient algorithms for learning Gibbs distributions rely on access to full sample configurations generated from the model. For many systems of interest that arise in physical contexts, expecting a full sample to be observed is not practical, and hence it is important to look for computationally efficient methods that solve the learning problem with access to only a limited set of statistics. We examine the trade-offs between the power of computation and observation within this scenario, employing the Ising model as a paradigmatic example. We demonstrate that it is feasible to reconstruct the model parameters for a model with $\ell_1$ width $γ$ by observing statistics up to an order of $O(γ)$. This approach allows us to infer the model's structure and also learn its couplings and magnetic fields. We also discuss a setting where prior information about structure of the model is available and show that the learning problem can be solved efficiently with even more limited observational power.

cs.LG↗

arXiv2025

Efficient Learning of Lattice Gauge Theories with Fermions

We introduce a learning method for recovering action parameters in lattice field theories. Our method is based on the minimization of a convex loss function constructed using the Schwinger-Dyson relations. We show that score matching, a popular learning method, is a special case of our construction of an infinite family of valid loss functions. Importantly, our general Schwinger-Dyson-based construction applies to gauge theories and models with Grassmann-valued fields used to represent dynamical fermions. In particular, we extend our method to realistic lattice field theories including quantum chromodynamics.

hep-lat↗

arXiv2025

Learning of Statistical Field Theories

Recovering microscopic couplings directly from data provides a route to solving the inverse problem in statistical field theories, one that complements the traditional-often computationally intractable-forward approach of predicting observables from an action or Hamiltonian. Here, we propose an approach for the inverse problem that uniformly accommodates systems with discrete, continuous, and hybrid variables. We demonstrate accurate parameter recovery in several benchmark systems-including Wegner's Ising gauge theory, $ϕ^4$ theory, Schwinger and Sine-Gordon models, and mixed spin-gauge systems, and show how iterating the procedure under coarse-graining reconstructs full non-perturbative renormalization-group flows. This gives direct access to phase boundaries, fixed points, and emergent interactions without relying on perturbation theory. We also address a realistic setting where full gauge configurations may be unavailable, and reformulate learning algorithms for multiple field theories so that they are recovered directly using observables such as correlations from scattering data or quantum simulators. We anticipate that our methodology will find widespread use in practical learning of field theories in strongly coupled regimes where analytical tools might fail.

cond-mat.stat-mech↗

arXiv2025

Autoregressive pairwise Graphical Models efficiently find ground state representations of stoquastic Hamiltonians

We introduce Autoregressive Graphical Models (AGMs) as an Ansatz for modeling the ground states of stoquastic Hamiltonians. Exact learning of these models for smaller systems show the dominance of the pairwise terms in the autoregressive decomposition, which informs our modeling choices when the Ansatz is used to find representations for ground states of larger systems. We find that simple AGMs with pairwise energy functions trained using first-order stochastic gradient methods often outperform more complex non-linear models trained using the more expensive stochastic reconfiguration method. We also test our models on Hamiltonians with frustration and observe that the simpler linear model used here shows faster convergence to the variational minimum in a resource-limited setting.

quant-ph↗

arXiv2025

Learning response functions of analog quantum computers: analysis of neutral-atom and superconducting platforms

Analog quantum computation is an attractive paradigm for the simulation of time-dependent quantum systems. Programmable analog quantum computers have been realized in hardware using a variety of physical principles, including neutral-atom and superconducting technologies. The input parameters of the physical Hamiltonians that are used to program the quantum simulator generally differ from the parameters that characterize the output distribution of data produced under a specified quantum dynamics. The relationship between the input and output parameters is known as the response function of the analog device. Here, we introduce a streaming algorithm for learning the response function of analog quantum computers from arbitrary user inputs, thus not requiring special calibration runs. We use the method to learn and compare the response functions of several generations of analog quantum simulators based on superconducting and neutral-atom programmable arrays.

quant-ph↗

arXiv2024

Universal framework for simultaneous tomography of quantum states and SPAM noise

We present a general denoising algorithm for performing simultaneous tomography of quantum states and measurement noise. This algorithm allows us to fully characterize state preparation and measurement (SPAM) errors present in any quantum system. Our method is based on the analysis of the properties of the linear operator space induced by unitary operations. Given any quantum system with a noisy measurement apparatus, our method can output the quantum state and the noise matrix of the detector up to a single gauge degree of freedom. We show that this gauge freedom is unavoidable in the general case, but this degeneracy can be generally broken using prior knowledge on the state or noise properties, thus fixing the gauge for several types of state-noise combinations with no assumptions about noise strength. Such combinations include pure quantum states with arbitrarily correlated errors, and arbitrary states with block independent errors. This framework can further use available prior information about the setting to systematically reduce the number of observations and measurements required for state and noise detection. Our method effectively generalizes existing approaches to the problem, and includes as special cases common settings considered in the literature requiring an uncorrelated or invertible noise matrix, or specific probe states.

quant-ph↗

arXiv2024

Forced oscillation source localization from generator measurements

Malfunctioning equipment, erroneous operating conditions or periodic load variations can cause periodic disturbances that would persist over time, creating an undesirable transfer of energy across the system -- an effect referred to as forced oscillations. Wide-area oscillations may damage assets, trigger inadvertent tripping or control actions, and be the cause of equipment failure. Unfortunately, for wide-area oscillations, the location, frequency, and amplitude of these forced oscillations may be hard to determine. Recently, a data-driven maximum-likelihood-based method was proposed to perform source localization in transmission grids under wide-area response scenarios. However, this method relies on full PMU coverage and all buses having inertia and damping. Here, we extend this method to realistic scenarios which includes buses without inertia or dumping, such as passive loads and inverter-based generators. Incorporating Kron reduction directly into the maximum likelihood estimator, we are able to identify the location and frequency of forcing applied at both traditional generators and loads.

eess.SY↗

arXiv2023

Learning of networked spreading models from noisy and incomplete data

Recent years have seen a lot of progress in algorithms for learning parameters of spreading dynamics from both full and partial data. Some of the remaining challenges include model selection under the scenarios of unknown network structure, noisy data, missing observations in time, as well as an efficient incorporation of prior information to minimize the number of samples required for an accurate learning. Here, we introduce a universal learning method based on scalable dynamic message-passing technique that addresses these challenges often encountered in real data. The algorithm leverages available prior knowledge on the model and on the data, and reconstructs both network structure and parameters of a spreading model. We show that a linear computational complexity of the method with the key model parameters makes the algorithm scalable to large network instances.

cs.SI↗

arXiv2023

Locating the source of forced oscillations in transmission power grids

Forced oscillation event in power grids refers to a state where malfunctioning or abnormally operating equipment causes persisting periodic disturbances in the system. While power grids are designed to damp most of perturbations during standard operations, some of them can excite normal modes of the system and cause significant energy transfers across the system, creating large oscillations thousands of miles away from the source. Localization of the source of such disturbances remains an outstanding challenge due to a limited knowledge of the system parameters outside of the zone of responsibility of system operators. Here, we propose a new method for locating the source of forced oscillations which addresses this challenge by performing a simultaneous dynamic model identification using a principled maximum likelihood approach. We illustrate the validity of the algorithm on a variety of examples where forcing leads to resonance conditions in the system dynamics. Our results establish that an accurate knowledge of system parameters is not required for a successful inference of the source and frequency of a forced oscillation. We anticipate that our method will find a broader application in general dynamical systems that can be well-described by their linearized dynamics over short periods of time.

nlin.AO↗

arXiv2023

Learning Energy-Based Representations of Quantum Many-Body States

Efficient representation of quantum many-body states on classical computers is a problem of enormous practical interest. An ideal representation of a quantum state combines a succinct characterization informed by the system's structure and symmetries, along with the ability to predict the physical observables of interest. A number of machine learning approaches have been recently used to construct such classical representations [1-6] which enable predictions of observables [7] and account for physical symmetries [8]. However, the structure of a quantum state gets typically lost unless a specialized ansatz is employed based on prior knowledge of the system [9-12]. Moreover, most such approaches give no information about what states are easier to learn in comparison to others. Here, we propose a new generative energy-based representation of quantum many-body states derived from Gibbs distributions used for modeling the thermal states of classical spin systems. Based on the prior information on a family of quantum states, the energy function can be specified by a small number of parameters using an explicit low-degree polynomial or a generic parametric family such as neural nets, and can naturally include the known symmetries of the system. Our results show that such a representation can be efficiently learned from data using exact algorithms in a form that enables the prediction of expectation values of physical observables. Importantly, the structure of the learned energy function provides a natural explanation for the hardness of learning for a given class of quantum states.

quant-ph↗

arXiv2023

Congruity of genomic and epidemiological data in modeling of local cholera outbreaks

Cholera continues to be a global health threat. Understanding how cholera spreads between locations is fundamental to the rational, evidence-based design of intervention and control efforts. Traditionally, cholera transmission models have utilized cholera case count data. More recently, whole genome sequence data has qualitatively described cholera transmission. Integrating these data streams may provide much more accurate models of cholera spread, however no systematic analyses have been performed so far to compare traditional case-count models to the phylodynamic models from genomic data for cholera transmission. Here, we use high-fidelity case count and whole genome sequencing data from the 1991-1998 cholera epidemic in Argentina to directly compare the epidemiological model parameters estimated from these two data sources. We find that phylodynamic methods applied to cholera genomics data provide comparable estimates that are in line with established methods. Our methodology represents a critical step in building a framework for integrating case-count and genomic data sources for cholera epidemiology and other bacterial pathogens.

q-bio.QM↗