Initialization Improves LLM-Driven Discovery

Autonomous discovery systems such as OpenEvolve and TTT-Discover are often used as general-purpose harnesses. However, in practice these are composite systems combining several design choices about archives, parent selection, exploration, and budget allocation into a single recipe. Because discovery runs are expensive and inherently stochastic, existing harnesses are often compared using too few independent trials to distinguish key methodological improvements from run-to-run variance. We systematically decompose OpenEvolve-style evolutionary search and the TTT-Discover search harness into its constituent components and systematically evaluate 30 budget-matched harnesses across 12 model-problem pairs using more than 3.1 million LLM rollouts and repeated-trial statistical analysis. Our results show that discovery harnesses have a generalization problem: No fixed harness is reliably superior across the evaluated model-problem pairs, and variants of OpenEvolve generally underperform simpler alternatives. Thus, harness choice is better viewed as a hyperparameter rather than as a universal recipe, and should be tailored to the specific problem and underlying model. We also find that early discovery progress predicts final performance, and use this property to present a budget-matched adaptive-allocation experiment that starts multiple harnesses, prunes weak partial runs, and reallocates compute to stronger survivors, outperforming both commitment to a randomly sampled fixed harness and a non-adaptive harness ensemble. Together, these results motivate shifting from fixed harness selection to online adaptation guided by early performance. We release all run pools including baseline null distributions for every model-problem pair as reusable statistical infrastructure against for future harness proposals.

Would experience designing faster GPU kernels also help close in on a long-standing open mathematical conjecture? Large Language Models (LLMs) integrated into evolutionary search have recently produced state-of-the-art solutions on optimization tasks, including open mathematical conjectures, GPU kernel design, scientific law discovery, and combinatorial puzzles. To achieve this, prior work applied search scaffolds to one target task at a time, so every new problem is approached from scratch and the experience accumulated during search is discarded once the model finishes its attempt. This leaves the capability of iteratively evolving a solution (e.g., knowing which part to mutate and how, deciding when to backtrack) entirely in the scaffold rather than in the model itself. Whether the model itself could acquire this capability and reuse it across different tasks has been largely unexamined. To address this, we introduce Evolution Fine-Tuning (EFT), a mid-training paradigm that teaches LLMs to evolve solutions across tasks by converting evolutionary search trajectories into supervision. We construct Finch Collection, a 156K-trajectory dataset spanning 10 domains and 371 optimization tasks, and fine-tune open-source LLMs from 2B to 9B parameters. Empirically, EFT confers cross-task generalization: across 22 held-out tasks, our models surpass their base counterparts by 10.22% on average. Furthermore, when paired with test-time RL, our model matches state-of-the-art performance on two circle-packing tasks and outperforms its base-model counterpart on the Erdős minimum-overlap problem. EFT thus serves as a "practice phase" for general-purpose discovery agents that do not solve new problems from scratch.

Evolutionary approaches to LLM-driven discovery often generate new programs from a small set of selected ancestors. This keeps contexts manageable but can omit useful evidence from other experiments, whereas including the full experimental history produces long, redundant contexts. We introduce a simple, single-agent discovery harness built around LabBook, an agent-maintained memory that serves two complementary roles: guiding retrieval of relevant evidence from a complete experimental log and informing the generation of new solutions. At each iteration, the same agent combines its memory with retrieved evidence and jointly produces the next program and an updated LabBook. This separates complete history retention from selective context construction, without requiring an explicit population or branching search structure. On 49 Frontier-CS problems, LabBook improves the observed quality-cost trade-off over the evaluated evolutionary baselines with two backbones, while remaining competitive across nine additional mathematical, systems, and heuristic-design tasks. Code will be released at https://github.com/BoYuanVisionary/LabBook.