Plausible but Wrong: A case study on Agentic Failures in Astrophysical Workflows

Large language model (LLM)-based systems are increasingly deployed to conduct scientific research autonomously, yet whether their reasoning adheres to the epistemic norms that make scientific inquiry self-correcting is poorly understood. Here, we evaluate LLM-based scientific agents across eight domains, spanning workflow execution to hypothesis-driven inquiry, through more than 25,000 agent runs and two complementary lenses: (i) a systematic performance analysis that decomposes the contributions of the base model and the agent scaffold, and (ii) a behavioral analysis of the epistemological structure of agent reasoning. We observe that the base model is the primary determinant of both performance and behavior, accounting for 41.4% of explained variance versus 1.5% for the scaffold. Across all configurations, evidence is ignored in 68% of traces, refutation-driven belief revision occurs in 26%, and convergent multi-test evidence is rare. The same reasoning pattern appears whether the agent executes a computational workflow or conducts hypothesis-driven inquiry. They persist even when agents receive near-complete successful reasoning trajectories as context, and the resulting unreliability compounds across repeated trials in epistemically demanding domains. Thus, current LLM-based agents execute scientific workflows but do not exhibit the epistemic patterns that characterize scientific reasoning. Outcome-based evaluation cannot detect these failures, and scaffold engineering alone cannot repair them. Until reasoning itself becomes a training target, the scientific knowledge produced by such agents cannot be justified by the process that generated it.

LLM-based agents are rapidly being adopted for scientific data analysis, automating tasks once limited by human time and expertise. This capability is often framed as an acceleration of discovery, but it also accelerates a familiar failure mode, the rapid production of plausible, endlessly revisable analyses that are easy to generate, effectively turning hypothesis space into candidate claims supported by selectively chosen analyses, optimized for publishable positives. Unlike software, scientific knowledge is not validated by the iterative accumulation of code and post hoc statistical support. A fluent explanation or a significant result on a single dataset is not verification. Because the missing evidence is a negative space, experiments and analyses that would have falsified the claim were never run or never published. We therefore propose that non-experimental claims produced with agentic assistance be evaluated under a falsification-first standard: agents should not be used primarily to craft the most compelling narrative, but to actively search for the ways in which the claim can fail.

AI scientist systems are described as tools, coauthors, or founders, but we evaluate them as if only the final answer matters. This position paper argues that outcome-only evaluation is insufficient, and that task outcome, mechanism fidelity, and epistemic honesty must be measured separately. Our evidence comes from 28 episodes of a coding agent attempting to rediscover a known particle identification observable in a Geant4 simulation, including an 8-episode probe across two additional frontier models. In 4/20 primary-model and 3/8 cross-model episodes, agents reach right-looking results through incorrect reasoning that breaks when conditions change, which we call Correct Answer, Wrong Mechanism (CAWM). Honesty and mechanism fidelity dissociate within a single agent trajectory. When given a partially misleading prior, all five agents reject the false component on evidence, yet one defends its chosen observable with physics inconsistent with its own data. In the simulation-based discovery setting studied here, coding agents prove reliable tools but unreliable scientific co-authors for open-ended claim-making, where co-author trust requires mechanism-fidelity verification they do not reliably self-apply. The failure is detectable, and we propose a lightweight test. A one-step regime-shift check needs only the agent's claim and flags the over-generalized cases. A companion recomputation flags the remaining cases when the correct observable is known. Together, these checks flag every CAWM case in this study.