Structured Scaling of AI Discovery Across Diverse Scientific Domains
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Abstract (arXiv)
Scientific discovery often requires many cycles of proposing, testing, and refining candidate solutions. Language models can increasingly participate in these loops, but simply generating more attempts does not ensure progress: parallel searches may duplicate one another and iterative refinement may become trapped in poor directions. The central challenge is therefore not only to scale AI-driven discovery, but to structure that scaling so that evaluation signals compound over time. Here we introduce SimpleTES (Simple Test-time Evaluation-driven Scaling), a framework that focuses on the structured scaling of AI discovery loops, organizing evaluator queries across independent trajectories, iterative refinement, local candidate selection, and the selective reuse of evaluated histories. Drawing on structural features of scientific communities, SimpleTES uses a single open-source GPT-OSS model to establish new state-of-the-art solutions across 28 open-ended problems in diverse scientific domains ranging from quantum physics and astronomy to biology, AI, and mathematics. These include a 24.5% reduction in quantum circuit compilation overhead, up to 23% lower propulsive cost for deep-space trajectories, a 2.17x faster lasso-path solver, an 8.5% lower-error whole-brain neural-activity predictor, the fastest reported TriMul kernel, and new mathematical constructions beyond prior human or AI records. We further post-train the model for long-horizon discovery by assigning each attempt the final outcome of the trajectory it helped produce. This improves performance on both training and held-out mathematics problems, further advancing the frontier. Together, these results establish structured scaling as a general mechanism for advancing AI scientific discovery.
Key facts. Cited by 14 papers in the map (data through 7 Oct 2026). First posted on arXiv 21 Apr 2026.
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- 2026SwarmResearch: Orchestrating Coding Agents for Open-Ended Discovery2 Jul 2026
- 2026AI-Assisted Discovery of Convex Relaxations via Dual Agents30 Jun 2026
- 2026Evolution Fine-Tuning: Learning to Discover Across 371 Optimization Tasks27 Jun 2026
- 2026Closing the Prior-Posterior Loop: Self-Reflective Molecular Design with Analysis-Driven LLM Iteration8 Jun 2026
- 2026MLEvolve: A Self-Evolving Framework for Automated Machine Learning Algorithm Discovery4 Jun 2026
- 2026What Do Evolutionary Coding Agents Evolve?19 May 2026
2 more
- 2026Harnessing Agentic Evolution13 May 2026
- 2026SciResearcher: Scaling Deep Research Agents for Frontier Scientific Reasoning2 May 2026
- 2026Harnessing Agentic Evolutioncited by 8
- 2026What Do Evolutionary Coding Agents Evolve?cited by 3
- 2026SwarmResearch: Orchestrating Coding Agents for Open-Ended Discoverycited by 2
- 2026AI-Assisted Discovery of Convex Relaxations via Dual Agentscited by 1
- 2026SwarmResearch: Orchestrating Coding Agents for Open-Ended Discovery2 Jul 2026
- 2026AI-Assisted Discovery of Convex Relaxations via Dual Agents30 Jun 2026
- 2026What Do Evolutionary Coding Agents Evolve?19 May 2026
- 2026Harnessing Agentic Evolution13 May 2026
- 2026Evolution Fine-Tuning: Learning to Discover Across 371 Optimization Taskscited by 4
- 2026Autonomous Mathematical Discovery in an Open-World Multi-Agent Environmentcited by 1
- 2026Closing the Prior-Posterior Loop: Self-Reflective Molecular Design with Analysis-Driven LLM Iterationcited by 0
- 2026A Vocabulary for Multi-Agent Automated Research Systemscited by 0
- 2026Budget-Aware LLM Discovery via Cost-Calibrated Frontier Utilitycited by 0
- 2026iCoder-27B: Recursive AI-Led Development of Frontier Industrial Coding Modelcited by 0
- 2026iCoder-27B: Recursive AI-Led Development of Frontier Industrial Coding Model28 Aug 2026
- 2026Autonomous Mathematical Discovery in an Open-World Multi-Agent Environment24 Aug 2026
- 2026Budget-Aware LLM Discovery via Cost-Calibrated Frontier Utility29 Jul 2026
- 2026A Vocabulary for Multi-Agent Automated Research Systems13 Jul 2026
- 2026Evolution Fine-Tuning: Learning to Discover Across 371 Optimization Tasks27 Jun 2026
- 2026Closing the Prior-Posterior Loop: Self-Reflective Molecular Design with Analysis-Driven LLM Iteration8 Jun 2026