Though Language Models Err While They Strive: Conformal Prediction for Self-Correcting Scientific Generation

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.

With the continuous advancement of reasoning abilities in Large Language Models (LLMs), their application to scientific reasoning tasks has gained significant research attention. Current research primarily emphasizes boosting LLMs' performance on scientific QA benchmarks by training on larger, more comprehensive datasets with extended reasoning chains. However, these approaches neglect the essence of the scientific reasoning process -- logicality, which is the rational foundation to ensure the validity of reasoning steps leading to reliable conclusions. In this work, we make the first systematic investigation into the internal logicality underlying LLM scientific reasoning, and develop a scientific logicality-enriched methodology, including a set of assessment criteria and data sampling methods for logicality-guided training, to improve the logical faithfulness as well as task performance. Further, we take physics, characterized by its diverse logical structures and formalisms, as an exemplar discipline to practise the above methodology. For data construction, we extract scientific problems from academic literature and sample a high-quality dataset exhibiting strong logicality. Experiments based on three different backbone LLMs reveal that: 1) the training data we constructed can effectively improve the scientific logicality in LLM reasoning; and 2) the enriched scientific logicality plays a critical role in solving scientific problems. Code is available at \href{https://github.com/ScienceOne-AI/PhysLogic}{https://github.com/ScienceOne-AI/PhysLogic}.

Scientific discovery is an inherently creative and uncertain process, requiring reasoning beyond the recall of known knowledge. While many benchmarks have been proposed to evaluate large language model (LLM) performance on deep research tasks via multi-hop retrieval, their innovative reasoning abilities essential for true scientific discovery remain largely untested. We introduce a benchmark framework for evaluating model performance in scientific discovery and reasoning, building up from a raw problem to the classical null hypothesis test. In our framework, models initially receive only the topic and research question from a recent paper, with technical details progressively revealed. At each stage of information disclosure, the model is tasked with generating hypotheses that address the research question, which is compared with the conclusions from the original paper and evaluated via automated semantic similarity of constituent atomic claims. This progressive evaluation of semantic divergence from ground-truth conclusions enables assessment of a model's innovativeness (under minimal information) to grounded reasoning capabilities (under full experimental details), both critical for using LLMs for scientific discovery purposes. Our framework provides a foundation for systematically evaluating scientific reasoning and discovery capabilities in LLMs, crucial for advancing the development of next-generation AI scientist/co-scientist systems. Specifically, here we evaluate GPT-5, GPT-5.4, Gemini 2.5 pro, and Gemini 3.1 pro preview across 45 papers spanning bioactive materials, mechanical materials, and nanomaterials. We find that GPT-5.4 and Gemini 3.1 pro outperform their previous generation counterparts as expected, and GPT-5.4 in particular maintains 0.7 F1 score alignment with ground truth conclusions even under minimal context.