4 accepted papers
Chain-of-Thought (CoT) reasoning has significantly improved the performance of Large Language Models (LLMs) but comes with substantial computational costs due to excessive token consumption. Existing approaches to reduce inference latency, such as explicit length penalties, often degrade reasoning q…
The advancement of intelligent agents has revolutionized problem-solving across diverse domains, yet solutions for personalized fashion styling remain underexplored, which holds immense promise for promoting shopping experiences. In this work, we present StyleTailor, the first collaborative agent fr
Structure-based molecule optimization (SBMO) aims to optimize molecules with both continuous coordinates and discrete types against protein targets. A promising direction is to exert gradient guidance on generative models given its remarkable success in images, but it is challenging to guide discret…
Small molecules are vital to modern medicine, and accurately predicting their bioactivity against protein targets is crucial for therapeutic discovery and development. However, current machine learning models often rely on spurious features, leading to biased outcomes. Notably, a simple pocket-only…