Hypothesis generation and updating in large language models

Large language models (LLMs) excel at answering pre-specified questions, yet their ability to navigate the open-ended, pre-conclusion stage of discovery remains largely unmeasured. We introduce Prospective Hypothesis Discovery (PHD), which asks models to autonomously construct grounded, discriminative, and testable hypothesis spaces from inconclusive evidence, including anomalous observations and fragmented records, to guide subsequent investigation. To evaluate this capability, we introduce HypoArena, comprising HypoData, a benchmark of 988 cases across six scientific and analytical domains, and HypoEval, an evaluation framework for open-ended hypothesis sets. To construct HypoData at scale, we propose Retrospective Context Regression, a Forge--Audit pipeline that reconstructs pre-conclusion contexts from completed expert documents by removing explicit conclusions, target hypotheses, and retrospective causal attributions while preserving the factual substrate. Because PHD admits multiple valid outputs, HypoEval combines bidirectional pairwise judgments with Bradley--Terry--Davidson aggregation for ranking and six-dimensional rubric scoring for diagnosis. Experiments on 15 frontier LLMs reveal clear capability stratification and model-dependent effects of structured analytical skills, with gains for several lower-performing models on HypoArena but regressions for other systems, including a top-performing model. Compared with absolute rubric scoring, arena evaluation resolves finer-grained differences among models, with aggregated rankings showing strong agreement with human experts and an independent judge. Together, these results support treating PHD as a distinct target for evaluating how LLMs formulate investigative directions when final conclusions are withheld. Our code and data are publicly available at github.com/SKYLENAGE-AI/HypoArena and github.com/SKYLENAGE-AI/HypoArena.

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.

Large language models (LLMs) are typically deployed in multi-turn conversations, where each turn provides new evidence that should reduce epistemic uncertainty about their environment. Acting rationally then requires inferring the unobserved quantities that govern it and updating beliefs about them as evidence accumulates. Yet most evaluations only score the model's final-turn answer in a single-turn format, leaving this process unexamined. We ask how closely LLMs' belief updates match those of a rational Bayesian reasoner in multi-turn settings, and introduce BayesBench, a suite of simulation environments that probe this across three progressively complex tasks: (i) Bayesian estimation, where the model infers an unknown parameter from sequential evidence; (ii) Bayesian prediction, where the model turns inferred beliefs about a latent variable into outcome forecasts; and (iii) latent-framed Bayesian prediction, where observations are filtered through a user-persona framing, requiring joint inference over the latent state and the persona. Across seven LLMs (3B--70B), scaling improves latent inference and evidence accumulation, with updates occasionally matching the Bayesian posterior. However, these gains do not reliably carry over to downstream prediction, exposing a gap between inferring latent structure and using it to rationally update beliefs about the target outcome.