Corneel Casert

Stephen Whitelam, Viktor Selin, Ian Benlolo et al.

We examine the zero-temperature Metropolis Monte Carlo algorithm as a tool for training a neural network by minimizing a loss function. We find that, as expected on theoretical grounds and shown empirically by other authors, Metropolis Monte Carlo can train a neural net with an accuracy comparable to that of gradient descent, if not necessarily as quickly. The Metropolis algorithm does not fail automatically when the number of parameters of a neural network is large. It can fail when a neural network's structure or neuron activations are strongly heterogenous, and we introduce an adaptive Monte Carlo algorithm, aMC, to overcome these limitations. The intrinsic stochasticity and numerical stability of the Monte Carlo method allow aMC to train deep neural networks and recurrent neural networks in which the gradient is too small or too large to allow training by gradient descent. Monte Carlo methods offer a complement to gradient-based methods for training neural networks, allowing access to a distinct set of network architectures and principles.

Stephen Whitelam, Corneel Casert

We present the design for a thermodynamic computer that can perform arbitrary nonlinear calculations in or out of equilibrium. Simple thermodynamic circuits, fluctuating degrees of freedom in contact with a thermal bath and confined by a quartic potential, display an activity that is a nonlinear function of their input. Such circuits can therefore be regarded as thermodynamic neurons, and can serve as the building blocks of networked structures that act as thermodynamic neural networks, universal function approximators whose operation is powered by thermal fluctuations. We simulate a digital model of a thermodynamic neural network, and show that its parameters can be adjusted by genetic algorithm to perform nonlinear calculations at specified observation times, regardless of whether the system has attained thermal equilibrium. This work expands the field of thermodynamic computing beyond the regime of thermal equilibrium, enabling fully nonlinear computations, analogous to those performed by classical neural networks, at specified observation times.

Corneel Casert, Isaac Tamblyn, Stephen Whitelam

We show that a neural network originally designed for language processing can learn the dynamical rules of a stochastic system by observation of a single dynamical trajectory of the system, and can accurately predict its emergent behavior under conditions not observed during training. We consider a lattice model of active matter undergoing continuous-time Monte Carlo dynamics, simulated at a density at which its steady state comprises small, dispersed clusters. We train a neural network called a transformer on a single trajectory of the model. The transformer, which we show has the capacity to represent dynamical rules that are numerous and nonlocal, learns that the dynamics of this model consists of a small number of processes. Forward-propagated trajectories of the trained transformer, at densities not encountered during training, exhibit motility-induced phase separation and so predict the existence of a nonequilibrium phase transition. Transformers have the flexibility to learn dynamical rules from observation without explicit enumeration of rates or coarse-graining of configuration space, and so the procedure used here can be applied to a wide range of physical systems, including those with large and complex dynamical generators.

Corneel Casert, Tom Vieijra, Stephen Whitelam et al.

We use a neural network ansatz originally designed for the variational optimization of quantum systems to study dynamical large deviations in classical ones. We obtain the scaled cumulant-generating function for the dynamical activity of the Fredrickson-Andersen model, a prototypical kinetically constrained model, in one and two dimensions, and present the first size-scaling analysis of the dynamical activity in two dimensions. These results provide a new route to the study of dynamical large-deviation functions, and highlight the broad applicability of the neural-network state ansatz across domains in physics.