Tracing the Cascade: A Topology-Aware Evaluation Framework for Scientific Agent Hallucinations

Large language models (LLMs) are increasingly used to communicate and explain scientific concepts, yet their tendency to hallucinate poses significant risks in this high stakes use-case. Prior hallucination evaluation work remains largely restricted to the biomedical domain, treats hallucination as a binary task, and has not examined the growing family of scientifically fine-tuned LLMs. We address these gaps with SciFactCheck, a benchmark of 2,500 prompts across five scientific domains, paired with a modular evaluation framework targeting three factuality hallucination types: unverifiability, overclaim, and attribution. Using a controlled minimal-pairing design, we evaluate 18 LLMs by comparing each scientifically fine-tuned model against its general-purpose base. Our results indicate that 1. Scientifically fine-tuned models exhibit degraded factual reliability across all hallucination types and scientific domains, and 2. Fine-tuned models are internally less confident yet linguistically more assertive. A human pilot study further reveals that current fact-checking tools show only modest agreement with expert judgments on scientific content, and that defining scientifically check-worthy claims remains contested even among human annotators. Our findings fundamentally challenge current methods of domain-specific fine-tuning for factuality and call for developing improved verification infrastructure for scientific content.

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 $\pm$ 0.004 and aggregate IFR-i is 0.809 $\pm$ 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.