#01Jul 17, 2026
cs.LG
A Blueprint for Equilibrium-Based Differentiable Continuous-Variable Thermodynamic Computing
Owen Lockwood, Jérémy Béjanin, Joost Bus and 4 more
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.
#02Jul 17, 2026
hep-ph
Learning Standard Model structure from LHC data with Riemannian flow matching
Midori Kato, Kevin A. Urquía-Calderón, Inar Timiryasov and 1 more
In this work we demonstrate that a single transformer-based generative model can capture Standard Model structure spanning five decades of invariant mass, from the sub-GeV regime to the TeV continuum, a range that no single Monte Carlo sample covers. To achieve this we design \textsc{ShellFlow}, a Riemannian conditional flow matching model that, given the recorded event composition, generates each particle on its on-shell manifold. Its only physics priors are the on-shell condition and the invariant-mass formula. The model is trained on $\sim 10^{9}$ real $pp$ collision events from the ATLAS Open Data 13~TeV release and told nothing else. From a single training run, the model learns to reproduce all of the following: intra-particle kinematics, the dilepton resonances ($J/ψ$, $Υ$, $Z$) at their PDG positions, the leptonic Weinberg angle, the $W$ and top-quark masses, and inter-particle correlations that enter no training objective. A substantial fraction of the Standard Model is thus learnable directly from recorded collision data.
#03Jul 17, 2026
eess.SY
Pick-to-Learn Calibration of an MPC Policy for an Origin-to-Destination Flight Problem
Marco C. Campi, Simone Garatti
This paper illustrates the Pick-to-Learn methodology applied to the calibration of a Model Predictive Control policy. While developed around a specific example, the presentation is meant to highlight a methodology of broad applicability. The example concerns an aircraft traveling from an origin point to a destination point in the presence of uncertain crosswinds and a low-connectivity zone that should be avoided. The MPC policy is parameterized by two hyperparameters, which are selected from data by the P2L procedure. Starting from a dataset of 400 wind realizations, also called scenarios, P2L identifies a final compression set containing only two informative scenarios. The resulting MPC policy avoids the low-connectivity zone on all available scenarios and, according to the P2L theory, satisfies a probabilistic risk bound of $4.8\%$ at confidence level $1-10^{-5}$, where the risk is the probability of entering the low-connectivity zone in a future flight under a new wind realization not included in the sample.
#04Jul 17, 2026
cs.LG
Improving Improved Kernel PLS
Ole-Christian Galbo Engstrøm
Improved Kernel Partial Least Squares (IKPLS) algorithms 1 and 2 are among the fastest PLS calibration algorithms. This article focuses on two shared steps, the computation of the $\mathbf{X}$ rotations, $\mathbf{R}$, and the $\mathbf{Y}$ loadings, $\mathbf{Q}$, and accelerates both. For $\mathbf{R}$, term-by-term accumulation is replaced by a direct evaluation strategy that requires the same number of multiplications but parallelizes better on modern hardware. For $\mathbf{Q}$, I identify - to the best of my knowledge, for the first time - equivalences showing that each $\mathbf{Y}$ loading is obtainable, up to explicitly derived constants, from quantities already computed earlier in the same iteration, and I exploit them in IKPLS to reduce the cost of each loading from $Θ\left(KM\right)$ to $Θ\left(M\right)$ operations whenever $M = 1$ or $2 \leq M < K$, with $K$ predictor variables (number of columns in $\mathbf{X}$) and $M$ response variables (number of columns in $\mathbf{Y}$). Both improvements provably yield exactly the same $\mathbf{W}$, $\mathbf{P}$, $\mathbf{Q}$, $\mathbf{R}$, and $\mathbf{T}$ as the original algorithms. Benchmarks with NumPy (CPU) and JAX (GPU) show speedups of up to two orders of magnitude for the isolated steps and of approximately $2\times$ (CPU) and $6\times$ (GPU) for entire fits. Both improvements are implemented in the free, open-source Python package \texttt{ikpls}.
#05Jul 17, 2026
cs.LG
Neural spectroscopy of AlphaFold2 reveals encoded protein conformational landscapes
Kaustav Mehta
AlphaFold2's 93 million parameters, shaped by the evolutionary record of protein structure encoded in the Protein Data Bank and in sequence alignments, are conventionally treated only as machinery for converting sequence to structure. We propose they are also a scientific object that can be analyzed directly: a learned encoding of protein conformational organization that can be probed and characterized. By smoothing the Evoformer's weight tensors with a Gaussian convolution and scaling the result, we show that the trained model produces physically structured conformational landscapes. Under perturbation, ubiquitin's native contacts break in the order established by decades of folding experiments. For KaiB, five independently trained models agree that the alternative fold is not recovered under perturbation. For alpha-synuclein, five models produce five different but coherent landscapes, mapping where the training signal has determined the representation and where it has not. Matched-power noise controls confirm that random corruption of equal magnitude produces debris, not conformations. The model learned to predict static structures; the conformational organization visible under perturbation was not an explicit training target, suggesting it emerged as a byproduct of that objective. AlphaFold2's weights appear to encode structural constraints, shaped by evolutionary and structural training data, that extend beyond what unperturbed inference reveals. We call the approach of reading them neural spectroscopy, and Scaled Gaussian Convolution one such protocol.