AI scientists produce results without reasoning scientifically
Authors: Martiño Ríos-García, Nawaf Alampara, Chandan Gupta, Indrajeet Mandal, Sajid Mannan, Ali Asghar Aghajani, N. M. Anoop Krishnan, Kevin Maik Jablonka
Organizations: Laboratory of Organic and Macromolecular Chemistry (IOMC), Friedrich Schiller University Jena, Humboldstr. 10, 07743 Jena, Germany · Department of Civil Engineering, Indian Institute of Technology Delhi, Hauz Khas, New Delhi 110016, India · School of Interdisciplinary Research, Indian Institute of Technology Delhi, Hauz Khas, New Delhi 110016, India · Yardi School of Artificial Intelligence, Indian Institute of Technology Delhi, Hauz Khas, New Delhi 110016, India · Center for Energy and Environmental Chemistry Jena, Friedrich Schiller University Jena, Philosophenweg 7, 07743 Jena, Germany · Helmholtz Institute for Polymers in Energy Applications Jena (HIPOLE Jena), Lessingstraße 12–14, 07743 Jena, Germany
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.
Large language models are being proposed as agents in scientific workflows, in domains where no downstream verifier exists. Such deployment assumes the model can distinguish reliable scientific literature from unreliable literature, a capability that has not yet been directly measured. Existing benchmarks evaluate factuality on questions with known answers; the failure mode we target here is different. We introduce a probe corpus of 42 retracted, fraudulent, and pseudoscientific papers, paired with a methodology for eliciting and scoring single-shot model engagement with each paper's framing. Each probe pairs a preamble extracted near-verbatim from the target paper with a scientifically plausible study-design request. The probes span five claim types: fabricated observation, pseudophysical mechanism, magical premise, legitimization bridge, and cargo-cult experiment. Two complementary scores measure whether a model rejects the flawed premise outright (IFR-a) and whether it recognizes the unreliability while still engaging (IFR-i). A depth score, the Engagement Depth Index (EDI), quantifies reproduction of paper- or field-specific withheld details. Across 30 models and 10 repeated runs, aggregate IFR-a is 0.93 ± 0.004 and aggregate IFR-i is 0.809 ± 0.009. Models engaged with untenable premises in 95% of all non-empty responses. Every evaluated model fails more than 71% of agentic probes, and 22 of 30 models fail more than 90% of the time. Rejections are concentrated on a small number of high-notoriety topics and specific probes, and disappear under matched-structure controls. These results are consistent with topic-keyed safety behavior rather than robust epistemic competence, and indicate an urgent need for guardrail infrastructure for scientific deployment of language models.
Large language models (LLMs) are increasingly deployed as autonomous agents in scientific tasks. Yet whether these systems can effectively engage in forms of inductive reasoning relevant to scientific discovery remains an open question. In this work, we introduce FALSIFYBENCH, an evaluation framework for hypothesis-driven reasoning inspired by the classic Wason 2-4-6 task, in which agents must discover hidden semantic properties by iteratively proposing examples and receiving feedback. This task captures key elements of scientific reasoning: hypothesis generation, evidence gathering, and belief revision in response to both confirming and disconfirming evidence. Our evaluation of 12 LLMs across model families and scales shows that reasoning models are generally stronger scientific reasoners than instruction-tuned models, although no model comes close to optimal performance. The primary driver of success is the capacity for negative testing: models that actively seek to falsify their hypotheses consistently outperform those that primarily seek confirmation. Moreover, a fine-grained turn-level analysis, neglected in previous work, reveals that failure is tied to identifiable patterns in how models navigate the hypothesis space.
Scientific research involves complex information-seeking and reasoning workflows across heterogeneous sources. However, existing benchmarks primarily emphasize general-domain retrieval or static scientific question answering, and therefore fail to assess key capabilities required in realistic scientific research workflows. We introduce SciExplore, a benchmark designed to evaluate scientific information-seeking and reasoning capabilities of LLMs and agents. SciExplore comprises four task types covering 103 expert-curated tasks across more than ten scientific disciplines: scientific database navigation, ambiguous literature retrieval, missing reference completion, and cross-source structured knowledge synthesis, which probe progressively higher-level abilities from entity-level reasoning and document-level identification to evidence-level grounding and domain-level synthesis. We evaluate over ten state-of-the-art LLMs and autonomous agents on SciExplore, revealing substantial performance gaps with performance degrading sharply as task complexity increases and extremely low accuracy on the most challenging structured synthesis tasks. These results highlight significant limitations of current models and agents in realistic scientific information-seeking scenarios.