We present a new machine learning approach for 3D-QSAR, the task of predicting binding affinities of molecules to target proteins based on 3D structure. Our approach predicts bind...
The UCT algorithm learns a value function online using sample-based search. The TD() algorithm can learn a value function offline for the on-policy distribution. We consider three...
Relational data appear frequently in many machine learning applications. Relational data consist of the pairwise relations (similarities or dissimilarities) between each pair of i...
Bo Long, Zhongfei (Mark) Zhang, Xiaoyun Wu, Philip...
Correlation is one of the most widely used similarity measures in machine learning like Euclidean and Mahalanobis distances. However, compared with proposed numerous discriminant ...
Graph clustering has become ubiquitous in the study of relational data sets. We examine two simple algorithms: a new graphical adaptation of the k-medoids algorithm and the Girvan...