9 accepted papers
Multimodal data are prevalent across various domains, and learning robust representations of such data is paramount to enhancing generation quality and downstream task performance. To handle heterogeneity and interconnections among different modalities, recent multimodal generative models extract sh…
Accurate molecular representations are critical for drug discovery, and a central challenge lies in capturing the chemical environment of molecular fragments, as key interactions, such as H-bond and π stacking—occur only under specific local conditions. Most existing approaches represent molecules a…
The development of therapeutic antibodies heavily relies on accurate predictions of how antigens will interact with antibodies. Existing computational methods in antibody design often overlook crucial conformational changes that antigens undergo during the binding process, significantly impacting th…
Recent studies have shown competitive performance in protein inverse folding, while most of them disregard the importance of predictive confidence, fail to cover the vast protein space, and do not incorporate common protein knowledge. Given the great success of pretrained models on diverse protein-r…
While artificial intelligence has made remarkable strides in revealing the relationship between biological macromolecules' primary sequence and tertiary structure, designing RNA sequences based on specified tertiary structures remains challenging. Though existing approaches in protein design have th…
Point-level weakly-supervised temporal action localization (P-TAL) aims to localize action instances in untrimmed videos through the use of single-point annotations in each instance. Existing methods predict the class activation sequences without any boundary information and the unreliable sequences…
PAC-Bayesian analysis is a frequentist framework for incorporating prior knowledge into learning. It was inspired by Bayesian learning, which allows sequential data processing and naturally turns posteriors from one processing step into priors for the next. However, despite two and a half decades of…
Protein inverse folding has attracted increasing attention in recent years. However, we observe that current methods are usually limited to the CATH dataset and the recovery metric. The lack of a unified framework for ensembling and comparing different methods hinders the comprehensive investigation…
In policy search methods for reinforcement learning (RL), exploration is often performed by injecting noise either in action space at each step independently or in parameter space over each full trajectory. In prior work, it has been shown that with linear policies, a more balanced trade-off between…