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Piotr Białas

Publications and source records attributed to Piotr Białas.

11 recordsLinked to original sources

Variational Autoregressive Networks with probability priors

Monte Carlo methods are essential across diverse scientific fields, yet their efficiency is frequently hampered by critical slowing down-a sharp increase in autocorrelation times near phase transitions. Although deep learning approaches, such as neural-network-based samplers, have been proposed to alleviate this issue, they face another serious problem: the difficulty of training the models. This difficulty partially stems from the overly general nature of original machine-learning architectures, which often ignore underlying physical symmetries and force networks to relearn them from scratch. In this paper, we demonstrate that incorporating physical priors into the model significantly enhances performance. Building upon existing strategies that integrate spin-spin interactions, we propose a framework that utilizes a prior probability distribution as a starting point for training. Our results for the Ising model, as well as for the Edwards-Anderson spin glass model, suggest that moving away from `blank slate' models in favor of physics-informed priors reduces the training burden and facilitates the simulation of larger system sizes in discrete spin models.

cs.LG↗

Sampling two-dimensional spin systems with transformers

Autoregressive Neural Networks based on dense or convolutional layers have recently been shown to be a viable strategy for generating classical spin systems. Unlike these methods, sampling with transformers is commonly considered to be computationally inefficient. In this work, we propose a novel approach to transformer-based neural samplers in which we generate not a single spin per step but groups of spins. As an additional improvement, we construct a model of approximated probabilities, further improving the efficiency of the algorithm. Despite our approach being computationally heavier than dense networks or CNN-based approaches, we were able to sample larger systems of up to $180 \times 180$ spins in case of the Ising model. The Effective Sample Size of our sampler is $\sim 20$ times larger than that of the previous state-of-the-art neural sampler when trained for the $128 \times 128$ Ising model at critical temperature. Finally, we also test our algorithm on the 2D Edwards-Anderson model, where we train $64\times 64$ spin systems.

cond-mat.dis-nn↗

Hierarchical autoregressive neural networks in three-dimensional statistical system

Autoregressive Neural Networks (ANN) have been recently proposed as a mechanism to improve the efficiency of Monte Carlo algorithms for several spin systems. The idea relies on the fact that the total probability of a configuration can be factorized into conditional probabilities of each spin, which in turn can be approximated by a neural network. Once trained, the ANNs can be used to sample configurations from the approximated probability distribution and to explicitly evaluate this probability for a given configuration. It has also been observed that such conditional probabilities give access to information-theoretic observables such as mutual information or entanglement entropy. In this paper, we describe the hierarchical autoregressive network (HAN) algorithm in three spatial dimensions and study its performance using the example of the Ising model. We compare HAN with three other autoregressive architectures and the classical Wolff cluster algorithm. Finally, we provide estimates of thermodynamic observables for the three-dimensional Ising model, such as entropy and free energy, in a range of temperatures across the phase transition.

cond-mat.stat-mech↗

Estimation of the reduced density matrix and entanglement entropies using autoregressive networks

We present an application of autoregressive neural networks to Monte Carlo simulations of quantum spin chains using the correspondence with classical two-dimensional spin systems. We use a hierarchy of neural networks capable of estimating conditional probabilities of consecutive spins to evaluate elements of reduced density matrices directly. Using the Ising chain as an example, we calculate the continuum limit of the ground state's von Neumann and Rényi bipartite entanglement entropies of an interval built of up to 5 spins. We demonstrate that our architecture is able to estimate all the needed matrix elements with just a single training for a fixed time discretization and lattice volume. Our method can be applied to other types of spin chains, possibly with defects, as well as to estimating entanglement entropies of thermal states at non-zero temperature.

quant-ph↗

Rényi entanglement entropy of spin chain with Generative Neural Networks

We describe a method to estimate Rényi entanglement entropy of a spin system, which is based on the replica trick and generative neural networks with explicit probability estimation. It can be extended to any spin system or lattice field theory. We demonstrate our method on a one-dimensional quantum Ising spin chain. As the generative model, we use a hierarchy of autoregressive networks, allowing us to simulate up to 32 spins. We calculate the second Rényi entropy and its derivative and cross-check our results with the numerical evaluation of entropy and results available in the literature.

cond-mat.stat-mech↗

Mutual information of spin systems from autoregressive neural networks

We describe a new direct method to estimate bipartite mutual information of a classical spin system based on Monte Carlo sampling enhanced by autoregressive neural networks. It allows studying arbitrary geometries of subsystems and can be generalized to classical field theories. We demonstrate it on the Ising model for four partitionings, including a multiply-connected even-odd division. We show that the area law is satisfied for temperatures away from the critical temperature: the constant term is universal, whereas the proportionality coefficient is different for the even-odd partitioning.

cond-mat.stat-mech↗

Simulating first-order phase transition with hierarchical autoregressive networks

We apply the Hierarchical Autoregressive Neural (HAN) network sampling algorithm to the two-dimensional $Q$-state Potts model and perform simulations around the phase transition at $Q=12$. We quantify the performance of the approach in the vicinity of the first-order phase transition and compare it with that of the Wolff cluster algorithm. We find a significant improvement as far as the statistical uncertainty is concerned at a similar numerical effort. In order to efficiently train large neural networks we introduce the technique of pre-training. It allows to train some neural networks using smaller system sizes and then employing them as starting configurations for larger system sizes. This is possible due to the recursive construction of our hierarchical approach. Our results serve as a demonstration of the performance of the hierarchical approach for systems exhibiting bimodal distributions. Additionally, we provide estimates of the free energy and entropy in the vicinity of the phase transition with statistical uncertainties of the order of $10^{-7}$ for the former and $10^{-3}$ for the latter based on a statistics of $10^6$ configurations.

cond-mat.stat-mech↗

Analysis of autocorrelation times in Neural Markov Chain Monte Carlo simulations

We provide a deepened study of autocorrelations in Neural Markov Chain Monte Carlo (NMCMC) simulations, a version of the traditional Metropolis algorithm which employs neural networks to provide independent proposals. We illustrate our ideas using the two-dimensional Ising model. We discuss several estimates of autocorrelation times in the context of NMCMC, some inspired by analytical results derived for the Metropolized Independent Sampler (MIS). We check their reliability by estimating them on a small system where analytical results can also be obtained. Based on the analytical results for MIS we propose a new loss function and study its impact on the autocorelation times. Although, this function's performance is a bit inferior to the traditional Kullback-Leibler divergence, it offers two training algorithms which in some situations may be beneficial. By studying a small, $4 \times 4$, system we gain access to the dynamics of the training process which we visualize using several observables. Furthermore, we quantitatively investigate the impact of imposing global discrete symmetries of the system in the neural network training process on the autocorrelation times. Eventually, we propose a scheme which incorporates partial heat-bath updates which considerably improves the quality of the training. The impact of the above enhancements is discussed for a $16 \times 16$ spin system. The summary of our findings may serve as a guidance to the implementation of Neural Markov Chain Monte Carlo simulations for more complicated models.

cond-mat.stat-mech↗

Hierarchical autoregressive neural networks for statistical systems

It was recently proposed that neural networks could be used to approximate many-dimensional probability distributions that appear e.g. in lattice field theories or statistical mechanics. Subsequently they can be used as variational approximators to asses extensive properties of statistical systems, like free energy, and also as neural samplers used in Monte Carlo simulations. The practical application of this approach is unfortunately limited by its unfavorable scaling both of the numerical cost required for training, and the memory requirements with the system size. This is due to the fact that the original proposition involved a neural network of width which scaled with the total number of degrees of freedom, e.g. $L^2$ in case of a two dimensional $L\times L$ lattice. In this work we propose a hierarchical association of physical degrees of freedom, for instance spins, to neurons which replaces it with the scaling with the linear extent $L$ of the system. We demonstrate our approach on the two-dimensional Ising model by simulating lattices of various sizes up to $128 \times 128$ spins, with time benchmarks reaching lattices of size $512 \times 512$. We observe that our proposal improves the quality of neural network training, i.e. the approximated probability distribution is closer to the target that could be previously achieved. As a consequence, the variational free energy reaches a value closer to its theoretical expectation and, if applied in a Markov Chain Monte Carlo algorithm, the resulting autocorrelation time is smaller. Finally, the replacement of a single neural network by a hierarchy of smaller networks considerably reduces the memory requirements.

cond-mat.stat-mech↗

3D PET image reconstruction based on Maximum Likelihood Estimation Method (MLEM) algorithm

Positron emission tomographs (PET) do not measure an image directly. Instead, they measure at the boundary of the field-of-view (FOV) of PET tomograph a sinogram that consists of measurements of the sums of all the counts along the lines connecting two detectors. As there is a multitude of detectors build-in typical PET tomograph structure, there are many possible detector pairs that pertain to the measurement. The problem is how to turn this measurement into an image (this is called imaging). Decisive improvement in PET image quality was reached with the introduction of iterative reconstruction techniques. This stage was reached already twenty years ago (with the advent of new powerful computing processors). However, three dimensional (3D) imaging remains still a challenge. The purpose of the image reconstruction algorithm is to process this imperfect count data for a large number (many millions) of lines-of-responce (LOR) and millions of detected photons to produce an image showing the distribution of the labeled molecules in space.

physics.med-ph↗