Automatic scientific discovery has long been a goal of computational scholars - a machine that can discover nature's secrets on its own, moving computational systems beyond data-fitting tools toward the generation and refinement of mechanistic models of the universe. Recent advances in symbolic regression (SR) and large-language-model (LLM)-based agents suggest that such systems can recover equations from data, incorporate domain priors, and automate parts of the research workflow.
arXiv:2607. 13608v1 Announce Type: new Abstract: Automatic scientific discovery has long been a goal of computational scholars - a machine that can discover nature's secrets on its own, moving computational systems beyond data-fitting tools toward the generation and refinement of mechanistic models of the universe.
By David Krongauz, Arad Zulti, Eran Segal, Teddy Lazebnik
Path sampling methods generate ensembles of reactive trajectories connecting metastable states, but extracting mechanistic insight from these data remains nontrivial. We introduce Flux Matching, a framework that learns two complementary objects directly from reactive trajectory data: a current velocity $u(z)$, whose streamlines trace the dominant reaction pathways, and a scalar potential $h(z)$, obtained from a weighted Helmholtz-Hodge decomposition of the reactive current, that serves as a data-driven reaction coordinate.
arXiv:2606. 06295v1 Announce Type: new Abstract: Path sampling methods generate ensembles of reactive trajectories connecting metastable states, but extracting mechanistic insight from these data remains nontrivial.
By Rishal Aggarwal, David Ryan Koes, Nicholas M. Boffi, Eric Vanden-Eijnden
arXiv:2608. 02662v1 Announce Type: cross Abstract: Reliable forecasting of nonlinear physical systems underpins scientific discovery and engineering decision-making.
By Farbod Faraji, Francesco Belardinelli
arXiv:2508. 18173v2 Announce Type: replace Abstract: The discovery of symbolic governing equations is a central goal in science; yet, it remains challenging particularly for graph dynamical systems, where the network topology further shapes the system behavior.
By Riccardo Cappi, Paolo Frazzetto, Nicol\`o Navarin, Alessandro Sperduti