143 citations · 1.1k across the 106 of their papers we have counts for
18 papers · 1 filter
Graph Transformation Policy Network for Chemical Reaction Prediction
Kien Do, Truyen Tran, Svetha Venkatesh
We address a fundamental problem in chemistry known as chemical reaction product prediction. Our main insight is that the input reactant and reagent molecules can be jointly repres…
The relationship between linguistic expression and symptoms of depression, anxiety, and suicidal thoughts: A longitudinal study of blog content
B. ODea, T. W. Boonstra, M. E. Larsen +3
Due to its popularity and availability, social media data may present a new way to identify individuals who are experiencing mental illness. By analysing blog content, this study a…
Practical Batch Bayesian Optimization for Less Expensive Functions
Vu Nguyen, Sunil Gupta, Santu Rana +2
Bayesian optimization (BO) and its batch extensions are successful for optimizing expensive black-box functions. However, these traditional BO approaches are not yet ideal for opti…
Hybrid Generative-Discriminative Models for Inverse Materials Design
Phuoc Nguyen, Truyen Tran, Sunil Gupta +2
Discovering new physical products and processes often demands enormous experimentation and expensive simulation. To design a new product with certain target characteristics, an ext…
Bayesian functional optimisation with shape prior
Pratibha Vellanki, Santu Rana, Sunil Gupta +4
Real world experiments are expensive, and thus it is important to reach a target in minimum number of experiments. Experimental processes often involve control variables that chang…
Relational dynamic memory networks
Trang Pham, Truyen Tran, Svetha Venkatesh
Neural networks excel in detecting regular patterns but are less successful in representing and manipulating complex data structures, possibly due to the lack of an external memory…