Autonomous Chemical Mechanistic Discovery through Agentic Reasoning and Validation

arXiv:2609.11147 · cs.AI · Submitted 2026-09-10 · Read on arXiv

cs.AI

Submitted: 2026-09-10

Updated: 2026-09-10

Comments: This paper has been submitted to Nature Communications

Code: https://github.com/JetAstra/Arche-Harness

License: http://arxiv.org/licenses/nonexclusive-distrib/1.0/

Terminology

• Agentic Reasoning — 2× in this paper · explained in 1 episode
• Agentic System — 1× in this paper · explained in 2 episodes

Related papers

• MAVEN-T: Reinforced Heterogeneous Distillation for Real-Time Multi-Agent Trajectory Prediction
• Model Discovery Agent: LLM-assisted Bayesian experiment design for data-efficient discovery of mechanistic world models
• The Clinician's Veto: Navigating Trust, Liability, and Uncertainty in Autonomous AI Prescribing
• MindHelper: Closed-Loop Embodied Mental-State Reasoning for Precision Intervention
• Incumbent Advantage: Brand Bias and Cognitive Manipulation Dynamics in LLM Recommendation Systems
• VSAL: A Vision Solver with Adaptive Layouts for Graph Property Detection