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One of the central tasks in many-body physics is the determination of phase diagrams. However, mapping out a phase diagram generally requires a great deal of human intuition and understanding. To automate this process, one can frame it as a…
Sampling from high-dimensional and structured probability distributions is a fundamental challenge in computational physics, particularly in the context of lattice field theory (LFT), where generating field configurations efficiently is…
We develop and implement two realizations of quantum graph neural networks (QGNN), applied to the task of particle interaction simulation. The first QGNN is a speculative quantum-classical hybrid learning model that relies on the ability to…
We train deep learning models on thousands of galaxy catalogues from the state-of-the-art hydrodynamic simulations of the CAMELS project to perform regression and inference. We employ Graph Neural Networks (GNNs), architectures designed to…
The Bayesian brain hypothesis, predictive processing and variational free energy minimisation are typically used to describe perceptual processes based on accurate generative models of the world. However, generative models need not be…
The CALICE collaboration has constructed highly granular electromagnetic and hadronic calorimeter prototypes to evaluate technologies for the use in detector systems at a future Linear Collider. The hadron calorimeter uses small…
Early detection of breast cancer in mammography screening via deep-learning based computer-aided detection systems shows promising potential in improving the curability and mortality rates of breast cancer. However, many clinical centres…
Modeling joint probability distributions is an important task in a wide variety of fields. One popular technique for this employs a family of multivariate distributions with uniform marginals called copulas. While the theory of modeling…
We introduce a new class of generative quantum-neural-network-based models called Quantum Hamiltonian-Based Models (QHBMs). In doing so, we establish a paradigmatic approach for quantum-probabilistic hybrid variational learning, where we…
In this paper, we present a general method that can improve the sample quality of pre-trained likelihood based generative models. Our method constructs an energy function on the latent variable space that yields an energy function on…
Stochastic simulation models effectively capture complex system dynamics but are often too slow for real-time decision-making. Traditional metamodeling techniques learn relationships between simulator inputs and a single output summary…
We show that the time evolution of the wave function of a quantum mechanical many particle system can be implemented very efficiently on a quantum computer. The computational cost of such a simulation is comparable to the cost of a…
Generative models, and Generative Adversarial Networks (GAN) in particular, are being studied as possible alternatives to Monte Carlo simulations. It has been proposed that, in certain circumstances, simulation using GANs can be sped-up by…
Particles produced in high energy collisions that are charged under one of the fundamental forces will radiate proportionally to their charge, such as photon radiation from electrons in quantum electrodynamics. At sufficiently high…
Molecular dynamics simulations are an invaluable tool in numerous scientific fields. However, the ubiquitous classical force fields cannot describe reactive systems, and quantum molecular dynamics are too computationally demanding to treat…
Deep learning based generative models such as deepfake have been able to generate amazing images and videos. However, these models may need significant transformation when applied to generate crystal materials structures in which the…
Generative neural samplers offer a complementary approach to Monte Carlo methods for problems in statistical physics and quantum field theory. This work tests the ability of generative neural samplers to estimate observables for real-world…
Gaussian Approximation Potentials are a class of Machine Learned Interatomic Potentials routinely used to model materials and molecular systems on the atomic scale. The software implementation provides the means for both fitting models…
Quantum machine learning with parametrised quantum circuits has attracted significant attention over the past years as an early application for the era of noisy quantum processors. However, the possibility of achieving concrete advantages…
Monte Carlo simulations are a crucial component when analysing the Standard Model and New physics processes at the Large Hadron Collider. This paper aims to explore the performance of generative models for complementing the statistics of…