Authors

Tao Li

Publications 7

Preprint Open access

Navigating Route Latent Space for Synthesizable Molecular Design

Tao Li, Tuan Vinh, Monika Raj et al. · 2026

Goal-directed molecular design has advanced rapidly, yet a substantial proportion of designed molecules remain difficult to synthesize in practice, limiting their real-world utility. Prior synthesizability-aware methods either project generated molecules back to synthesizable analogs that deviate from the intended targ …

Preprint Open access

SceneFactory-3D: Lifting 2D Traffic Scenes into 3D Physical Counterfactuals for Scalable Physically Grounded Safety Evaluation

Scalable driving simulators typically execute vehicle commands using prescribed behavioral or kinematic rules, overlooking the physics of tire-road interfaces, thereby limiting their ability to capture how adverse road and environmental conditions alter vehicle execution and propagate through traffic. To address this l …

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