Abhisek Ganguly

Abhisek Ganguly, Alessandro Gabbana, Vybhav Rao et al.

We propose a physics-based regularization technique for function learning, inspired by statistical mechanics. By drawing an analogy between optimizing the parameters of an interpolator and minimizing the energy of a system, we introduce corrections that impose constraints on the lower-order moments of the data distribution. This minimizes the discrepancy between the discrete and continuum representations of the data, in turn allowing to access more favorable energy landscapes, thus improving the accuracy of the interpolator. Our approach improves performance in both interpolation and regression tasks, even in high-dimensional spaces. Unlike traditional methods, it does not require empirical parameter tuning, making it particularly effective for handling noisy data. We also show that thanks to its local nature, the method offers computational and memory efficiency advantages over Radial Basis Function interpolators, especially for large datasets.

Abhisek Ganguly, Santosh Ansumali, Sauro Succi

Accurate estimation of spatial derivatives from discrete and noisy data is central to scientific machine learning and numerical solutions of PDEs. We extend kinetic-based regularization (KBR), a localized multidimensional kernel regression method with a single trainable parameter, to learn spatial derivatives with provable second-order accuracy in 1D. Two derivative-learning schemes are proposed: an explicit scheme based on the closed-form prediction expressions, and an implicit scheme that solves a perturbed linear system at the points of interest. The fully localized formulation enables efficient, noise-adaptive derivative estimation without requiring global system solving or heuristic smoothing. Both approaches exhibit quadratic convergence, matching second-order finite difference for clean data, along with a possible high-dimensional formulation. Preliminary results show that coupling KBR with conservative solvers enables stable shock capture in 1D hyperbolic PDEs, acting as a step towards solving PDEs on irregular point clouds in higher dimensions while preserving conservation laws.

Jean-Michel Tucny, Abhisek Ganguly, Santosh Ansumali et al.

It is shown that the weight matrices of transformer-based machine learning applications to the solution of two representative physical applications show a random-like character which bears no directly recognizable link to the physical and mathematical structure of the physical problem under study. This suggests that machine learning and the scientific method may represent two distinct and potentially complementary paths to knowledge, even though a strict notion of explainability in terms of direct correspondence between network parameters and physical structures may remain out of reach. It is also observed that drawing a parallel between transformer operation and (generalized) path-integration techniques may account for the random-like nature of the weights, but still does not resolve the tension with explainability. We conclude with some general comments on the hazards of gleaning knowledge without the benefit of Insight.