When Does Context Help? A Systematic Study of Target-Conditional Molecular Property Prediction
何时上下文有助于?对目标条件分子性质预测的系统研究
机构 * Great Neck South High School(大颈南高中)
AI总结 本文系统研究了目标上下文对分子性质预测的帮助,通过10种不同蛋白质家族、4种融合架构和多种数据集评估,发现融合架构主导,上下文能实现不可能的预测,但也会导致系统性伤害,揭示了标准基准测试的缺陷。
Comments 9 pages, 5 figures. Accepted at Workshop on AI for Accelerated Materials Design and Foundation Models for Science: Real-World Impact and Science-First Design at ICLR 2026