CAi Copilot: Reducing Operational Workload in Molecular Design through Intent-Driven Agentic Workflows
arXiv:2608. 06961v1 Announce Type: new Abstract: Early-stage molecular design is an iterative process, not just a task of generating molecules.
arXiv:2608. 11341v1 Announce Type: new Abstract: Apollo did not reach the Moon merely because its engineers could solve difficult equations.
arXiv:2608. 06961v1 Announce Type: new Abstract: Early-stage molecular design is an iterative process, not just a task of generating molecules.
arXiv:2608. 02642v1 Announce Type: cross Abstract: Accelerating scientific discovery is among the most consequential applications of AI, and computational biomolecular simulation stands out as a particularly promising target within this broader effort.
arXiv:2606. 19245v1 Announce Type: new Abstract: Artificial intelligence (AI) agents promise to accelerate drug discovery by compressing interpretation and decision-making loops, but practical deployment requires trusted evaluation on realistic program decisions.
arXiv:2502. 18864v2 Announce Type: replace Abstract: Scientific discovery is driven by scientists generating novel hypotheses for complex problems that undergo rigorous experimental validation.
arXiv:2608. 05144v1 Announce Type: new Abstract: Long-horizon reasoning requires an agentic runtime that can persist when evidence supports its current approach and pivot when measurements reveal failure, hidden constraints, or a misspecified objective.
arXiv:2608. 05144v2 Announce Type: replace Abstract: Long-horizon reasoning requires an agentic runtime that can persist when evidence supports its current approach and pivot when measurements reveal failure, hidden constraints, or a misspecified objective.
arXiv:2512. 11682v2 Announce Type: replace Abstract: Therapeutic decision-making in clinical medicine constitutes a high-stakes domain in which AI guidance interacts with complex interactions among patient characteristics, disease processes, and pharmacological agents.
arXiv:2604. 19341v2 Announce Type: replace-cross Abstract: Scientific discovery often requires many cycles of proposing, testing, and refining candidate solutions.
arXiv:2606. 01316v1 Announce Type: new Abstract: Scientific discovery demands intelligence, perseverance, and serendipity across vast search spaces.
arXiv:2607. 13608v1 Announce Type: new Abstract: Automatic scientific discovery has long been a goal of computational scholars - a machine that can discover nature's secrets on its own, moving computational systems beyond data-fitting tools toward the generation and refinement of mechanistic models of the universe.
arXiv:2608. 14354v1 Announce Type: new Abstract: Enabling LLM agents to sustain productive, stable, and goal-aligned research over extended horizons is a central challenge for autonomous machine learning and scientific discovery, as progress hinges on continuously managing evolving state, exploration decisions, and computational resources.
arXiv:2607. 15079v1 Announce Type: new Abstract: Understanding the brain increasingly depends on integrating evidence across scales, modalities, and disciplines.