CASCADE: Cumulative Agentic Skill Creation through Autonomous Development and Evolution
Xu Huang, Junwu Chen, Yuxing Fei, Zhuohan Li, Philippe Schwaller, Gerbrand Ceder

TL;DR
CASCADE is a self-evolving LLM agent framework that acquires and refines skills through autonomous development, significantly improving performance on complex scientific tasks and enabling scalable AI-assisted research.
Contribution
Introduces CASCADE, a novel framework for autonomous skill acquisition and evolution in LLM agents, advancing beyond static tool use to continuous learning and self-reflection.
Findings
Achieves 93.3% success rate on SciSkillBench with GPT-5.
Outperforms non-evolving agents by a large margin.
Demonstrates real-world scientific applications and knowledge sharing.
Abstract
Large language model (LLM) agents currently depend on predefined tools or early-stage tool generation, limiting their adaptability and scalability to complex scientific tasks. We introduce CASCADE, a self-evolving agentic framework representing an early instantiation of the transition from "LLM + tool use" to "LLM + skill acquisition". CASCADE enables agents to master complex external tools and codify knowledge through two meta-skills: continuous learning via web search, code extraction, and memory utilization; self-reflection via introspection, knowledge graph exploration, and others. We evaluate CASCADE on SciSkillBench, a benchmark of 116 materials science and chemistry research tasks. CASCADE achieves a 93.3% success rate using GPT-5, compared to 35.4% without evolution mechanisms. We further demonstrate real-world applications in computational analysis, autonomous laboratory…
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Taxonomy
TopicsMachine Learning in Materials Science · Artificial Intelligence in Healthcare and Education · Scientific Computing and Data Management
