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Jul 28

Towards Diverse Scientific Hypothesis Search with Large Language Models

Large language models (LLMs) are on the rise for accelerating scientific discovery, most recently in advanced tasks such as generating valid scientific hypotheses. Yet in many discovery settings, the goal is not to identify a single best hypothesis since validation can be noisy and expensive, and scientists benefit from a set of high-quality alternative hypotheses that hedge against downstream uncertainty for the best solutions. Nevertheless, commonly used evolutionary search recipes tend to prioritize optimization over exploration in hypothesis generation, and the resulting selection pressure during the search process leads to diversity collapse. Motivated by these limitations, we formulate hypothesis search as a sampling problem, where the objective is to efficiently produce diverse, high-quality hypotheses under a fixed validation budget. Building on this perspective, we propose \ours, an evolutionary framework inspired by the classical parallel tempering algorithm that searches hypotheses at multiple temperature levels and enables principled information exchange across temperatures to improve exploration without disrupting convergence. Across domains including molecular discovery, equation discovery, and algorithm discovery, our approach consistently improves both hypothesis quality and diversity under the same validation budget, and produces candidates that remain robust under more expensive downstream computational validations.

  • 10 authors
·
Jun 9 2

Disposition Distillation at Small Scale: A Three-Arc Negative Result

We set out to train behavioral dispositions (self-verification, uncertainty acknowledgment, feedback integration) into small language models (0.6B to 2.3B effective parameters) through a four-stage all-MIT distillation pipeline, with follow-on experiments on inference-time attention-head interventions and a frozen-base confidence-gated sidecar. An internal draft reported +33.9-point MCAS and +15.3-point HumanEval gains on a Qwen3-0.6B student; a second-pass sanity check falsified both numbers before publication. The HumanEval delta was a truncation artifact (n_predict=512) that inverted to -8.0 points at n_predict=1024; the MCAS gain disappeared under apples-to-apples scoring. That falsification triggered three subsequent arcs. Across (1) SFT/DPO LoRA on three model families and two domains, (2) inference-time attention-head tempering on o_proj, and (3) a training-free frozen-base sidecar reading the final-token hidden state h_last, we find no operator that moves judge-measured disposition without damaging content or collapsing into stylistic mimicry. The failure is consistent across five models (Qwen3-0.6B, Qwen3-1.7B, Qwen3.5-0.8B, Gemma 4 E2B, and SmolLM2-1.7B-Instruct). A within-distribution cross-validation pass (AUC=0.683) collapsed to chance on fresh prompts (AUC=0.516). We contribute a three-arc negative result with mechanism, a two-failure-mode taxonomy for linear h_last probes, and an honest falsification pipeline that converts the class of false positives we ourselves produced into publishable negatives. As an independent finding, Gemma 4 E2B exhibits near-complete confidence-correctness decoupling on the Chef domain (assertion asymmetry -0.009; the model asserts at 91% regardless of correctness).

Tinman-Lab Tinman Lab SL
·
Apr 12