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Numerical Considerations for the Construction of Karhunen-Loève Expansions

Safta, Cosmin, Najm, Habib N.

arXiv.org Machine Learning

This report examines numerical aspects of constructing Karhunen-Loève expansions (KLEs) for second-order stochastic processes. The KLE relies on the spectral decomposition of the covariance operator via the Fredholm integral equation of the second kind, which is then discretized on a computational grid, leading to an eigendecomposition task. We derive the algebraic equivalence between this Fredholm-based eigensolution and the singular value decomposition of the weight-scaled sample matrix, yielding consistent solutions for both model-based and data-driven KLE construction. Analytical eigensolutions for exponential and squared-exponential covariance kernels serve as reference benchmarks to assess numerical consistency and accuracy in 1D settings. The convergence of SVD-based eigenvalue estimates and of the empirical distributions of the KL coefficients to their theoretical $\mathcal{N}(0,1)$ target are characterized as a function of sample count. Higher-dimensional configurations include a two-dimensional irregular domain discretized by unstructured triangular meshes with two refinement levels, and a three-dimensional toroidal domain whose non-simply-connected topology motivates a comparison between Euclidean and shortest interior path distances between the grid points. The numerical results highlight the interplay between the discretization strategy, quadrature rule, and sample count, and their impact on the KLE results.




Learning quantum many-body data locally: A provably scalable framework

Chinzei, Koki, Tran, Quoc Hoan, Matsumoto, Norifumi, Endo, Yasuhiro, Oshima, Hirotaka

arXiv.org Artificial Intelligence

Quantum Laboratory, Fujitsu Research, Fujitsu Limited, 4-1-1 Kawasaki, Kanagawa 211-8588, Japan (Dated: September 18, 2025) Machine learning (ML) holds great promise for extracting insights from complex quantum many-body data obtained in quantum experiments. This approach can efficiently solve certain quantum problems that are classically intractable, suggesting potential advantages of harnessing quantum data. However, addressing large-scale problems still requires significant amounts of data beyond the limited computational resources of near-term quantum devices. We propose a scalable ML framework called Geometrically Local Quantum Kernel (GLQK), designed to efficiently learn quantum many-body experimental data by leveraging the exponential decay of correlations, a phenomenon prevalent in noncritical systems. In the task of learning an unknown polynomial of quantum expectation values, we rigorously prove that GLQK substantially improves polynomial sample complexity in the number of qubits n, compared to the existing shadow kernel, by constructing a feature space from local quantum information at the correlation length scale. This improvement is particularly notable when each term of the target polynomial involves few local subsystems. Remarkably, for translationally symmetric data, GLQK achieves constant sample complexity, independent of n. We numerically demonstrate its high scalability in two learning tasks on quantum many-body phenomena. These results establish new avenues for utilizing experimental data to advance the understanding of quantum many-body physics. Understanding complex quantum many-body phenomena is a pivotal challenge across various fields, including physics, chemistry, and biology. Classical computational approaches often struggle to capture the intricate interplay of interactions in these systems due to the exponential dimensionality of the Hilbert space. Recent advances in experimental control over quantum systems offer a promising avenue for probing these phenomena.


Variational Autoencoder for Generating Broader-Spectrum prior Proposals in Markov chain Monte Carlo Methods

Borges, Marcio, Pereira, Felipe, Tosin, Michel

arXiv.org Machine Learning

This study uses a Variational Autoencoder method to enhance the efficiency and applicability of Markov Chain Monte Carlo (McMC) methods by generating broader-spectrum prior proposals. Traditional approaches, such as the Karhunen-Loève Expansion (KLE), require previous knowledge of the covariance function, often unavailable in practical applications. The VAE framework enables a data-driven approach to flexibly capture a broader range of correlation structures in Bayesian inverse problems, particularly subsurface flow modeling. The methodology is tested on a synthetic groundwater flow inversion problem, where pressure data is used to estimate permeability fields. Numerical experiments demonstrate that the VAE-based parameterization achieves comparable accuracy to KLE when the correlation length is known and outperforms KLE when the assumed correlation length deviates from the true value. Moreover, the VAE approach significantly reduces stochastic dimensionality, improving computational efficiency. The results suggest that leveraging deep generative models in McMC methods can lead to more adaptable and efficient Bayesian inference in high-dimensional problems.


Punch Out Model Synthesis: A Stochastic Algorithm for Constraint Based Tiling Generation

Zzyzek, Zzyv

arXiv.org Artificial Intelligence

As an artistic aid in tiled level design, Constraint Based Tiling Generation (CBTG) algorithms can help to automatically create level realizations from a set of tiles and placement constraints. Merrell's Modify in Blocks Model Synthesis (MMS) and Gumin's Wave Function Collapse (WFC) have been proposed as Constraint Based Tiling Generation (CBTG) algorithms that work well for many scenarios but have limitations in problem size, problem setup and solution biasing. We present Punch Out Model Synthesis (POMS), a Constraint Based Tiling Generation algorithm, that can handle large problem sizes, requires minimal assumptions for setup and can help mitigate solution biasing. POMS attempts to resolve indeterminate grid regions by trying to progressively realize sub-blocks, performing a stochastic boundary erosion on previously resolved regions should sub-block resolution fail. We highlight the results of running a reference implementation on different tile sets and discuss a tile correlation length, implied by the tile constraints, and its role in choosing an appropriate block size to aid POMS in successfully finding grid realizations.


Embedded Nonlocal Operator Regression (ENOR): Quantifying model error in learning nonlocal operators

Fan, Yiming, Najm, Habib, Yu, Yue, Silling, Stewart, D'Elia, Marta

arXiv.org Artificial Intelligence

Nonlocal, integral operators have become an efficient surrogate for bottom-up homogenization, due to their ability to represent long-range dependence and multiscale effects. However, the nonlocal homogenized model has unavoidable discrepancy from the microscale model. Such errors accumulate and propagate in long-term simulations, making the resultant prediction unreliable. To develop a robust and reliable bottom-up homogenization framework, we propose a new framework, which we coin Embedded Nonlocal Operator Regression (ENOR), to learn a nonlocal homogenized surrogate model and its structural model error. This framework provides discrepancy-adaptive uncertainty quantification for homogenized material response predictions in long-term simulations. The method is built on Nonlocal Operator Regression (NOR), an optimization-based nonlocal kernel learning approach, together with an embedded model error term in the trainable kernel. Then, Bayesian inference is employed to infer the model error term parameters together with the kernel parameters. To make the problem computationally feasible, we use a multilevel delayed acceptance Markov chain Monte Carlo (MLDA-MCMC) method, enabling efficient Bayesian model calibration and model error estimation. We apply this technique to predict long-term wave propagation in a heterogeneous one-dimensional bar, and compare its performance with additive noise models. Owing to its ability to capture model error, the learned ENOR achieves improved estimation of posterior predictive uncertainty.


Probing the Latent Hierarchical Structure of Data via Diffusion Models

Sclocchi, Antonio, Favero, Alessandro, Levi, Noam Itzhak, Wyart, Matthieu

arXiv.org Machine Learning

High-dimensional data must be highly structured to be learnable. Although the compositional and hierarchical nature of data is often put forward to explain learnability, quantitative measurements establishing these properties are scarce. Likewise, accessing the latent variables underlying such a data structure remains a challenge. In this work, we show that forward-backward experiments in diffusion-based models, where data is noised and then denoised to generate new samples, are a promising tool to probe the latent structure of data. We predict in simple hierarchical models that, in this process, changes in data occur by correlated chunks, with a length scale that diverges at a noise level where a phase transition is known to take place. Remarkably, we confirm this prediction in both text and image datasets using state-of-the-art diffusion models. Our results show how latent variable changes manifest in the data and establish how to measure these effects in real data using diffusion models.


Opening the Black Box: predicting the trainability of deep neural networks with reconstruction entropy

Thurn, Yanick, Jefferson, Ro, Erdmenger, Johanna

arXiv.org Machine Learning

An important challenge in machine learning is to predict the initial conditions under which a given neural network will be trainable. We present a method for predicting the trainable regime in parameter space for deep feedforward neural networks, based on reconstructing the input from subsequent activation layers via a cascade of single-layer auxiliary networks. For both MNIST and CIFAR10, we show that a single epoch of training of the shallow cascade networks is sufficient to predict the trainability of the deep feedforward network, thereby providing a significant reduction in overall training time. We achieve this by computing the relative entropy between reconstructed images and the original inputs, and show that this probe of information loss is sensitive to the phase behaviour of the network. Our results provide a concrete link between the flow of information and the trainability of deep neural networks, further elucidating the role of criticality in these systems.


Social Dynamics of Consumer Response: A Unified Framework Integrating Statistical Physics and Marketing Dynamics

Marin, Javier

arXiv.org Artificial Intelligence

Comprehending how consumers react to advertising inputs is essential for marketers aiming to optimize advertising strategies and improve campaign effectiveness. This study examines the complex nature of consumer behaviour by applying theoretical frameworks derived from physics and social psychology. We present an innovative equation that captures the relation between spending on advertising and consumer response, using concepts such as symmetries, scaling laws, and phase transitions. By validating our equation against well-known models such as the Michaelis-Menten and Hill equations, we prove its effectiveness in accurately representing the complexity of consumer response dynamics. The analysis emphasizes the importance of key model parameters, such as marketing effectiveness, response sensitivity, and behavioural sensitivity, in influencing consumer behaviour. The work explores the practical implications for advertisers and marketers, as well as discussing the limitations and future research directions. In summary, this study provides a thorough framework for comprehending and forecasting consumer reactions to advertising, which has implications for optimizing advertising strategies and allocating resources.