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Quantum annealing (QA) is a hardware-based heuristic optimization and sampling method applicable to discrete undirected graphical models. While similar to simulated annealing, QA relies on quantum, rather than thermal, effects to explore…

Machine Learning Interatomic Potentials (MLIPs) achieve near ab initio accuracy at a fraction of the cost of quantum-mechanical simulations, yet they remain prone to silent failures on out-of-distribution configurations, making principled…

We propose an expectation-maximization-like(EMlike) method to train Boltzmann machine with unconstrained connectivity. It adopts Monte Carlo approximation in the E-step, and replaces the intractable likelihood objective with efficiently…

Quantum computers (QC) could harbor the potential to significantly advance materials simulations, particularly at the atomistic scale involving strongly correlated fermionic systems where an accurate description of quantum many-body effects…

We propose a new approach to combine Restricted Boltzmann Machines (RBMs) that can be used to solve combinatorial optimization problems. This allows synthesis of larger models from smaller RBMs that have been pretrained, thus effectively…

Autonomous physical learning systems modify their internal parameters and solve computational tasks without relying on external computation. Compared to traditional computers, they enjoy distributed and energy-efficient learning due to…

Machine-learned interatomic potentials (MLIPs) are revolutionizing computational materials science and chemistry by offering an efficient alternative to {\em ab initio} molecular dynamics (MD) simulations. However, fitting high-quality…

Magnetic Random-Access Memory (MRAM) based p-bit neuromorphic computing devices are garnering increasing interest as a means to compactly and efficiently realize machine learning operations in Restricted Boltzmann Machines (RBMs). When…

Predictive coding (PC) is an influential theory in computational neuroscience, which argues that the cortex forms unsupervised world models by implementing a hierarchical process of prediction error minimization. PC networks (PCNs) are…

Strongly correlated materials exhibit complex electronic phenomena that are challenging to capture with traditional theoretical methods, yet understanding these systems is crucial for discovering new quantum materials. Addressing the…

A new approach to maximum likelihood learning of discrete graphical models and RBM in particular is introduced. Our method, Perturb and Descend (PD) is inspired by two ideas (I) perturb and MAP method for sampling (II) learning by…

The evolution of fifth generation (5G) wireless communication networks has led to an increased need for wireless resource management solutions that provide higher data rates, wide coverage, low latency, and power efficiency. Yet, many of…

We propose a novel sampling framework for inference in probabilistic models: an active learning approach that converges more quickly (in wall-clock time) than Markov chain Monte Carlo (MCMC) benchmarks. The central challenge in…

Language models (LMs) trained on vast quantities of unlabelled data have greatly advanced the field of natural language processing (NLP). In this study, we re-visit the widely accepted notion in NLP that continued pre-training LMs on…

An efficient way to learn deep density models that have many layers of latent variables is to learn one layer at a time using a model that has only one layer of latent variables. After learning each layer, samples from the posterior…

Deep-learning models such as Convolutional Neural Networks (CNN) and Long Short-Term Memory (LSTM) have been successfully used for process-mining tasks. They have achieved better performance for different predictive tasks than traditional…

The construction of the Hamiltonian matrix \textbf{H} is an essential, yet computationally expensive step in \textit{ab-initio} device simulations based on density-functional theory (DFT). In homogeneous structures, the fact that a unit…

Gaussian Mixture Models (GMMs) are a standard tool in data analysis. However, they face problems when applied to high-dimensional data (e.g., images) due to the size of the required full covariance matrices (CMs), whereas the use of…

The main difficulty that arises in the analysis of most machine learning algorithms is to handle, analytically and numerically, a large number of interacting random variables. In this Ph.D manuscript, we revisit an approach based on the…

We study Generalised Restricted Boltzmann Machines with generic priors for units and weights, interpolating between Boolean and Gaussian variables. We present a complete analysis of the replica symmetric phase diagram of these systems,…