DiscoverPhysics: Benchmarking LLMs for Out-of-the-Box Scientific Thinking

Current large-language-model (LLM) physics benchmarks are usually scored by answer accuracy, which cannot distinguish genuine reasoning from recall of familiar problem patterns and reveals little about where a model's reasoning breaks down. We introduce an auditable four-stage diagnostic that evaluates whether an LLM can reason inside an unfamiliar physics framework through induction, formulation, prediction, and review. The diagnostic combines locked pre-registrations, fresh sessions between stages, dual-LLM judging, and a human-audit pathway, and we apply it to three parallel physics worlds: a single-equation counterfactual world ($F=mv$), a historical framework (Aristotelian mechanics), and a four-domain counterfactual world (Decay World). Across Claude Opus 4.7, GPT-5.5, and Gemini 3.1 Pro, the three worlds yield composite PASS rates are 6/15, 6/15, and 0/15 respectively (content $\land$ structural for $F=mv$ and Aristotelian, content axis only for Decay World where the structural axis is out of scope). The most pointed empirical pattern is a qualitative-versus-quantitative asymmetry: in Decay World, models almost never predict the wrong direction of change, but frequently compute the wrong ratio by slipping back to standard-physics relations. The protocol also surfaces two methodology findings: LLM-judge reliability does not transfer across frameworks, and Stage 4 self-review is weak in every framework, with the model's own review wrongly reporting no earlier error in at least two-thirds of the trials that actually contained one. We release the full prompts, responses, verdicts, and audit records.

The paradigm of agentic science requires AI systems to conduct robust reasoning and engage in long-horizon, autonomous exploration. However, current scientific benchmarks remain confined to domain knowledge comprehension and complex reasoning, failing to evaluate the exploratory nature and procedural complexity of real-world research. In this work, we present research-oriented evaluations in theoretical and computational physics, a natural testbed with comprehensive domain knowledge, complex reasoning, and verifiable end-to-end workflows without reliance on experiments. Here we introduce PRL-Bench (Physics Research by LLMs), a benchmark designed to systematically map the capability boundaries of LLMs in executing end-to-end physics research. Constructed from 100 curated papers from the latest issues of Physical Review Letters since August 2025 and validated by domain experts, PRL-Bench covers five major theory- and computation-intensive subfields of modern physics: astrophysics, condensed matter physics, high-energy physics, quantum information, and statistical physics. Each task in the benchmark is designed to replicate the core properties of authentic scientific research, including exploration-oriented formulation, long-horizon workflows, and objective verifiability, thereby reconstructing the essential reasoning processes and research workflows of real physics research. Evaluation across frontier models shows that performance remains limited, with the best overall score below 50, revealing a pronounced gap between current LLM capabilities and the demands of real scientific research. PRL-Bench serves a reliable testbed for accessing next generation AI scientists advancing AI systems toward autonomous scientific discovery.

Scientific equation discovery has long been central to scientific progress, proceeding through iterative cycles of hypothesis generation, observational testing, and refinement under scientific constraints. As LLM capabilities advance and their role in AI for Science expands, it remains an open problem whether they can genuinely discover scientific laws and how this ability should be evaluated. Existing evaluations, however, often either simplify discovery through synthetic settings or reuse published targets that may already be familiar to LLMs. We therefore introduce SCILAWS-BENCH, a benchmark for scientific law discovery built from published research and real scientific data. It comprises 118 problems drawn from 381 scientific papers, covering 291 candidate laws and roughly 8M real data points across six scientific disciplines. Each problem is instantiated in two complementary settings: (1) SCILAWS-REAL asks models to propose laws from fixed real observations and evaluates held-out predictive fit and scientific validity derived from the source literature, and (2) SCILAWS-PARALLEL asks models to actively query residual-calibrated worlds and recover synthesized hidden laws derived from published forms. This two-setting task design preserves each problem's scientific context while separately evaluating fixed-record law discovery and active recovery of a newly synthesized hidden law. We find that predictive fit can diverge from scientific validity, memorization shapes whether models reproduce or move beyond published formulas, and our best-of-N study reveals a selection bottleneck. Our work provides a paper-grounded benchmark and new empirical perspectives for evaluating AI for scientific discovery. Project page: https://yiyihum.github.io/SciLaws-Bench