Authors: Mirko Amico, Andraž Jelinčič, Colin Oscar Nancarrow, Leo Tyrpak, David Roberts, Seth Morton, Dalton Sakthivadivel, Ashwin Gopal, +1 more
Abstract
We present a set of tools for mapping general stochastic programs to thermodynamic hardware designed for energy-efficient stochastic sampling. Given a target stochastic program expressed as a Directed Factor Graph (DFG) of stochastic channels, or equivalently as a Parametrized Stochastic Circuit (PSC), we first introduce a method to approximately compile each factor in the DFG to an Energy-Based Model (EBM) that is native to the hardware. We then analyze how the error of the compiled DFG accumulates from the per-factor errors, and introduce two training refinements, context matching and trajectory-level REINFORCE post-training, which can reduce the residual error left by training each factor in isolation. The \texttt{thermalizers} framework takes a stochastic program expressed in the \texttt{torx} library and replaces its factors with thermodynamic kernels implemented and sampled using the \texttt{thrml} library. We demonstrate it on several example applications, including a market simulator that learns the joint day-to-day dynamics of a panel of financial time series from recorded market history alone, a probabilistic model from mathematical ecology, Gibbs sampling of an EBM the hardware cannot natively express, and a sequential Bayesian design loop over a Gaussian stochastic circuit.
To address the escalating energy and latency demands of machine-learning workloads, we introduce a blueprint for an energy-efficient and fast thermodynamic computing stack that leverages stochastic analog processes in physical hardware. In this work, we focus on energy-based thermodynamic computing where the stochastic process is well described by Langevin dynamics with tunable energy potentials. The implementation of such potentials in physical hardware enables us to generate and sample from basic parameterized energy-based models. We demonstrate how to construct and train popular classes of machine learning models based on these hardware-native energy-based models, using the framework of probabilistic graphical models. We analyze the runtime and energy consumption of different models in this thermodynamic paradigm based on theoretical considerations and numerical studies. As a preliminary experimental realization of such hardware, we present our stochastic analog superconducting circuits driven by thermal noise. Together, these results outline a path toward energy-efficient thermodynamic hardware for probabilistic machine learning.
The growing energy demand for computation is becoming increasingly unsustainable. Thermodynamic computing, which harnesses physical thermal fluctuations as a computational resource rather than suppressing them, offers orders-of-magnitude energy savings for probabilistic and combinatorial tasks. Pharmaceutical R&D, heavily reliant on computational optimization and sampling, is a natural application domain. Here we present what is, to our knowledge, the first concrete pharmaceutical application mapped to thermodynamic hardware with energy estimates grounded in prototype measurements. We reduce mRNA codon optimization, a combinatorial problem routinely solved in drug development, to sampling from an Ising model, making it directly executable on a thermodynamic sampling unit (TSU). Benchmarking three approaches (Potts sampling, Ising sampling, and a genetic algorithm baseline) on the SARS-CoV-2 spike protein, we find that all achieve comparable optimization quality (scores ~234-240), but energy estimates based on validated hardware models indicate that a TSU could solve this problem using approximately 10e6 times less energy than a conventional GPU. All code is released under an open-source license.
Thermodynamic computers are stochastic physical devices designed to perform calculations at the thermal energy scale. Their operation is constrained by the equations of stochastic thermodynamics, among which are a set of bounds, known as speed limits, that relate a thermodynamic computer's run time to its computational progress and the heat it dissipates. Using the Wasserstein speed limit we assess the thermodynamic efficiency of a simulation model of a thermodynamic computer trained to perform a standard machine-learning classification task. On this task the thermodynamic computer is as capable as a simple multilayer perceptron. We show that different inference protocols allow the computer to operate within 40% of the thermodynamic limit of efficiency without loss of accuracy, or to perform inference increasingly rapidly at fixed accuracy and thermodynamic efficiency. These results indicate that a thermodynamic computer designed for a particular task retains considerable freedom in its thermodynamic operation.