arXiv AI

An Interpretable Approach to PDE Solution Discovery via Structural Experience Distillation

The paper introduces SED-MCTS, a Monte Carlo tree search method that enhances PDE solution discovery by distilling structural experience from evaluated expressions. Unlike previous approaches that rely on a single terminal score, SED-MCTS uses counterfactual subtree interventions to estimate local structural contributions, guiding the search toward reliable construction edges and preserving useful components in a structural archive. The method extends naturally to coupled multiphysics systems and demonstrates improved performance, efficiency, and robustness across diverse PDE benchmarks, especially under noisy or scarce observations.

arXiv Machine Learning
Aug 31

Probabilistic Symbolic Regression for Equation Discovery via Operator-induced and Regularized Symbolic Forests

The paper presents a probabilistic symbolic regression framework that models mathematical expressions as ensembles of symbolic trees, using a regularizing prior to control complexity and an Occam’s window-based posterior to capture uncertainty across plausible models. It provides theoretical guarantees on posterior concentration, including near‑parametric rates when an exact finite formula exists and oracle results under misspecification. Empirical results show the method outperforms state‑of‑the‑art competitors in predictive accuracy, symbolic complexity, and structural recovery on benchmark scientific equations and a materials discovery task.

By Somjit Roy, Pritam Dey, Bani K. Mallick, Debdeep Pati
arXiv AI
Sep 18

SCICONVBENCH: Benchmarking LLMs on Multi-Turn Clarification for Task Formulation in Computational Science

SCICONVBENCH is a benchmark designed to evaluate large language models (LLMs) on multi‑turn clarification tasks in computational science. It focuses on two key abilities: eliciting missing information (disambiguation) and resolving contradictory requests (inconsistency resolution) across four domains—fluid mechanics, solid mechanics, materials science, and partial differential equations. The benchmark pairs a structured task ontology with a rubric‑based evaluation framework, measuring LLM performance in clarification behavior, conversational grounding, and final‑specification fidelity, and reveals that even top models only resolve about 52.7% of disambiguation cases in fluid mechanics while often making ungrounded assumptions.

By Nithin Somasekharan, Youssef Hassan, Shiyao Lin, Gihan Panapitiya, Patrick Emami, Anurag Acharya, Sameera Horawalavithana, Shaowu Pan
arXiv Machine Learning
Aug 31

Hypothesize, Evaluate, Refine: A Scientific Agent for PDE Discovery with Unknown Spatial Coefficient Fields

The paper introduces HER-PDE, a scientific-agent framework that simultaneously discovers partial differential equation (PDE) structures and their unknown spatial coefficient fields. Using two noisy trajectories from different excitations, the agent generates expression-tree hypotheses, evaluates them via a Hypothesis Evaluation Interface that only estimates declared fields, and refines candidates through bidirectional cross-excitation transfer. In controlled experiments on five two-dimensional systems with Gaussian noise, HER-PDE accurately recovers the governing operators and attains a median Pearson correlation of ~0.85 and a median relative L2 error of ~0.28 for nine unknown coefficient fields.

By YuJie Huang, WenWu He, ZhuoEr Lin, Congcong Liu, Dong Liang, Zhuo-Xu Cui