Yu Song
Publications
Towards Agentic Intelligence for Materials Science
The convergence of artificial intelligence and materials science presents a transformative opportunity, but achieving true acceleration in discovery requires moving beyond task-isolated, fine-tuned models toward agentic systems that plan, act, and learn across the full discovery loop. This survey advances a unique pipeline-centric view that spans from corpus curation and pretraining, through domain adaptation and instruction tuning, to goal-conditioned agents interfacing with simulation and experimental platforms. Unlike prior reviews, we treat the entire process as an end-to-end system to be optimized for tangible discovery outcomes rather than proxy benchmarks. This perspective allows us to trace how upstream design choices-such as data curation and training objectives-can be aligned with downstream experimental success through effective credit assignment. To bridge communities and establish a shared frame of reference, we first present an integrated lens that aligns terminology, evaluation, and workflow stages across AI and materials science. We then analyze the field through two focused lenses: From the AI perspective, the survey details LLM strengths in pattern recognition, predictive analytics, and natural language processing for literature mining, materials characterization, and property prediction; from the materials science perspective, it highlights applications in materials design, process optimization, and the acceleration of computational workflows via integration with external tools (e.g., DFT, robotic labs). Finally, we contrast passive, reactive approaches with agentic design, cataloging current contributions while motivating systems that pursue long-horizon goals with autonomy, memory, and tool use. This survey charts a practical roadmap towards autonomous, safety-aware LLM agents aimed at discovering novel and useful materials.
EduResearchBench: A Hierarchical Atomic Task Decomposition Benchmark for Full-Lifecycle Educational Research
While Large Language Models (LLMs) are reshaping the paradigm of AI for Social Science (AI4SS), rigorously evaluating their capabilities in scholarly writing remains a major challenge. Existing benchmarks largely emphasize single-shot, monolithic generation and thus lack the fine-grained assessments required to reflect complex academic research workflows. To fill this gap, we introduce EduResearchBench, the first comprehensive evaluation platform dedicated to educational academic writing. EduResearchBench is built upon our Hierarchical Atomic Task Decomposition (HATD) framework, which decomposes an end-to-end research workflow into six specialized research modules (e.g., Quantitative Analysis, Qualitative Research, and Policy Research) spanning 24 fine-grained atomic tasks. This taxonomy enables an automated evaluation pipeline that mitigates a key limitation of holistic scoring, where aggregate scores often obscure specific capability bottlenecks, and instead provides fine-grained, diagnostic feedback on concrete deficiencies. Moreover, recognizing the high cognitive load inherent in scholarly writing, we propose a curriculum learning strategy that progressively builds competence from foundational skills to complex methodological reasoning and argumentation. Leveraging 55K raw academic samples, we curate 11K high-quality instruction pairs to train EduWrite, a specialized educational scholarly writing model. Experiments show that EduWrite (30B) substantially outperforms larger general-purpose models (72B) on multiple core metrics, demonstrating that in vertical domains, data quality density and hierarchically staged training curricula are more decisive than parameter scale.