ScienceBuddy: Recursive-in-Recursive Self-Improvement for Interactive Scientific Agents

Scientific research proceeds through iterative cycles of hypothesis generation, experiment design, execution, and revision. AI agents can automate parts of this process, but existing approaches typically follow a single research trajectory or coordinate through a central planner with fixed objectives. As a result, they struggle to sustain parallel exploration, adapt as experimental evidence changes, or preserve knowledge of failed directions over long-running experiments. We introduce AutoScientists, a decentralized team of AI agents for long-running computational scientific experimentation. Agents interpret a shared experimental state, self-organize into teams around promising hypotheses, critique proposals before using experimental compute, and share successes and failures to reduce redundant exploration. Under matched experimental budgets, AutoScientists improves over prior AI agents across biomedical machine learning, language-model training optimization, and protein fitness prediction. On BioML-Bench, spanning biomedical imaging, protein engineering, single-cell omics, and drug discovery, AutoScientists achieves a mean leaderboard percentile of 74.4% across 24 tasks, improving over the strongest AI agent by +8.33%. On GPT training optimization, AutoScientists reaches a target validation bits-per-byte 1.9x faster than Autoresearch and continues discovering improvements from a starting champion where the single-agent approach finds none (7 vs. 0 accepted improvements). On ProteinGym fitness prediction, AutoScientists discovers a method for ACE2-Spike binding that improves over the current state-of-the-art model by +12.5% in Spearman correlation. Applied without modification across all 217 ProteinGym assays, the same method improves over the prior state of the art by +6.5% (Spearman correlation).

Recursive self-improvement requires turning evidence of model failures into better models. Data-centric post-training research entails diagnosing capability gaps, designing and validating training-data strategies, and learning from checkpoint feedback. Can LLM agents automate this loop? Existing benchmarks entangle research decisions with optimization, serving, evaluation, and systems implementation, obscuring agents' research capability. We introduce RSIBench-Data, a controlled benchmark of LLM agents as data-centric researchers with a fixed post-training stack. Agents iteratively revise training-data strategies for a fixed target model; training and serving use Tinker-backed services, official evaluation runs through Harbor and E2B sandboxes, and budgets are fixed across agents. We evaluate four frontier agents on six benchmarks across software engineering, terminal use, scientific question answering, and mathematics. Agents demonstrate core data-centric research capabilities: in 58.33% of settings, they improve upon the first valid attempt by refining strategies from feedback. However, improvement is inconsistent. Among searches continuing after the best observed score, 78.26% end with a lower-scoring final attempt, while the rest only recover the same peak. A strong candidate may therefore appear early or midway through a run even as later revisions fail. Trajectory analysis identifies four patterns in stronger runs: accurate hypotheses, validation-grounded supervision, behavior-aligned data, and preservation of strong checkpoints. These findings suggest that current agents can make useful data-centric discoveries but cannot yet translate feedback into consistent improvements. RSIBench-Data provides a measurable, auditable testbed for the research capabilities required for recursive self-improvement. We open-source our code at https://github.com/evolvent-ai/RSIBench-Data.

Under model--harness co-evolution, harnesses are not merely inference-time scaffolds but data-generating components whose execution traces can shape future foundation models. This motivates harness-in-the-loop learning: optimizing harnesses for both immediate agent performance and the quality of traces used for future model training. However, continually updating provider-built scaffolds is costly and labor-intensive. We therefore investigate whether optimizing user-constructed harnesses in a task-specific manner can improve execution-trace quality while remaining computationally lightweight and requiring only a few update iterations. To this end, we introduce Recursive Harness Self-Improvement (RHI), which represents the harness as a prompt-level specification of the agent loop and iteratively refines it using pairwise feedback over its own revision history. Across 30 synthetic machine-learning research tasks spanning quantitative finance, robotics, and pharmacy, a few RHI iterations suffice to substantially raise the performance ceiling of low-reasoning-effort agents, exceeding the corresponding maximum-reasoning-effort setting while reducing inference cost by up to 60%. We show that these gains arise primarily from improved task-specific context management through more effective inter-agent information flow rather than longer reasoning traces. Finally, we formalize this behavior as an information-theoretic hypothesis for RHI's implicit optimization objective, suggesting RHI as a practical algorithm for continual learning within the paradigm of model--harness co-evolution.