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cs.AI2026
TreeRef-BFN: Equivariance-Free De Novo Molecule Generation based on 2D Topology and Internal 3D Geometry
Ruiqing Sun, Sen Yang, Dawei Feng +3
De novo 3D molecular generation jointly models molecular size, topology, and geometry. Most methods pre-sample molecular size and generate Cartesian coordinates, limiting variable-…
cs.AI2026
MCPEvol-Bench: Benchmarking LLM Agent Performance Across Dynamic Evolutions of MCP Servers
Huanxi Liu, Kun Hu, Jiaqi Liao +6
As Model Context Protocol (MCP) servers emerge as the core infrastructure for connecting LLMs with external tools, existing benchmarks leverage real-world MCP servers to evaluate L…
cs.AI2026
Beyond Scores: Diagnostic LLM Evaluation via Fine-Grained Abilities
Xu Zhang, Xudong Gong, Jiacheng Qin +5
Current evaluations of large language models aggregate performance across diverse tasks into single scores. This obscures fine-grained ability variation, limiting targeted model im…