Yuyang Zheng, Nan Li, Wenxia Deng +3q-bio.NC cs.AI
As large language model (LLM) agents are increasingly adopted in scientific research, external knowledge bases, knowledge graphs, and long-term memory have improved information retrieval and task continuity. However, most structured knowledge systems remain node-centric, representing files, concepts, results, and judgments as nodes and relations in a graph. While suitable for personal knowledge management, such structures often depend on individual organizational practices, limiting knowledge sharing, integration, and reorganization across users. This paper presents Valhalla, a layered knowledge-state and service-governance framework for long-term scientific knowledge work. Valhalla replaces flat graphs with layered encapsulation and stable semantic boundaries through a five-layer File-Resource-Entity-Relationship-Graph (FREG) model. File and Resource preserve source identity and provenance, Entity represents knowledge objects, Relationship captures semantic judgments, and Graph provides task-oriented knowledge views, enabling knowledge states from different researchers to be exchanged and reorganized under a unified structure. We further introduce a Router-Contract-Workflow service-governance architecture, inspired by the microkernel paradigm, to constrain how language models access, modify, and extend knowledge states while maintaining structural consistency and auditable operational boundaries. We implement a Valhalla prototype and validate knowledge ingestion, cross-member integration, and scientific writing support through an antibody-design review task comprising 26 paper resources, 80 knowledge entities, and 92 semantic relations. Rather than proposing a new knowledge-extraction algorithm, Valhalla offers a paradigm for organizing collaborative scientific knowledge, transforming individualized knowledge structures into transferable and reorganizable shared knowledge states.
AI has long assisted scientific research, but the rapid advance of LLMs and agentic scaffolds is reshaping the landscape; a single system can now carry whole-stage research from an initial hypothesis all the way to final published paper, which is a paradigm now referred to as AutoResearch. Existing evaluations reveal little about how these agents operate or where they break down. Tasks are narrowly-scoped, evaluation measures performance but not process, and failure diagnoses lack systematic coverage or artifact-level visibility. To address this gap, we introduce AutoResearchEval, featuring 100 tasks grounded in published frontier science across 7 scientific domains and the full research lifecycle, including ideation, retrieval, execution, analysis, writing, and review. Evaluating 8 harness-model combinations yields 800 autoresearch agent trajectories, with process-level annotation. We organize these insights into AutoResearch Failure Taxonomy or ARFT, a framework of 45 empirically-grounded failure patterns. To enable scalable fine-grained attribution, we leverage a human-calibrated agent-as-a-judge pipeline to inspect complete trajectories and intermediate artifacts. Failure patterns converge on a single overarching limitation, namely that current agents lack a metacognitive loop, which entails the ability to check what they produced against what they found, revise when it does not hold up, and question whether the path they took was sound. The same patterns recur across all 8 harness-model combinations, including the strongest models tested, locating the deficit at the model level rather than in any particular scaffold; whether orchestration-level interventions can close it is an open question this work does not test. We publicly release AutoResearchEval and ARFT to facilitate continued research and development in autonomous scientific discovery.
AI-assisted research systems generate many failed attempts, but those failures rarely become a durable, shared knowledge asset. We propose a negative knowledge memory layer: a curator agent converts each failed attempt into a bounded, typed record in a shared bank, and a downstream research agent explicitly adopts or rejects those records before proposing its next experiment. We evaluate this layer in two settings: same-task retry on ScienceAgentBench and cross-task scientific research on two nonlinear math-physics PDE problems. The negative knowledge layer outperforms vanilla AutoResearch baselines while using fewer tokens; agents with the negative knowledge bank solve new tasks that all baselines fail to solve in PDE systems research. We also show that the previous negative knowledge bank can transfer and enhance AutoResearch on different PDE problems. These results suggest that structured negative knowledge is a knowledge asset that should be explicitly maintained in broader AI-engaged scientific research beyond a memory-compression or debugging aid, alongside positive findings, as a collective infrastructure for scientific memory. Code is available at https://github.com/hch-wang/Negative_Knowledge.