Structured Learning of Tree Potentials in CRF for Image Segmentation

We propose a new approach to image segmentation, which exploits the advantages of both conditional random fields (CRFs) and decision trees. In the literature, the potential functions of CRFs are mostly defined as a linear combination of some pre-defined parametric models, and then methods like structured support vector machines (SSVMs) are applied to learn those linear coefficients. We instead formulate the unary and pairwise potentials as nonparametric forests---ensembles of decision trees, and learn the ensemble parameters and the trees in a unified optimization problem within the large-margin framework. In this fashion, we easily achieve nonlinear learning of potential functions on both unary and pairwise terms in CRFs. Moreover, we learn class-wise decision trees for each object that appears in the image. Due to the rich structure and flexibility of decision trees, our approach is powerful in modelling complex data likelihoods and label relationships. The resulting optimization problem is very challenging because it can have exponentially many variables and constraints. We show that this challenging optimization can be efficiently solved by combining a modified column generation and cutting-planes techniques. Experimental results on both binary (Graz-02, Weizmann horse, Oxford flower) and multi-class (MSRC-21, PASCAL VOC 2012) segmentation datasets demonstrate the power of the learned nonlinear nonparametric potentials.Comment: 10 pages. Appearing in IEEE Transactions on Neural Networks and Learning System

ProtNN: Fast and Accurate Nearest Neighbor Protein Function Prediction based on Graph Embedding in Structural and Topological Space

Studying the function of proteins is important for understanding the molecular mechanisms of life. The number of publicly available protein structures has increasingly become extremely large. Still, the determination of the function of a protein structure remains a difficult, costly, and time consuming task. The difficulties are often due to the essential role of spatial and topological structures in the determination of protein functions in living cells. In this paper, we propose ProtNN, a novel approach for protein function prediction. Given an unannotated protein structure and a set of annotated proteins, ProtNN finds the nearest neighbor annotated structures based on protein-graph pairwise similarities. Given a query protein, ProtNN finds the nearest neighbor reference proteins based on a graph representation model and a pairwise similarity between vector embedding of both query and reference protein-graphs in structural and topological spaces. ProtNN assigns to the query protein the function with the highest number of votes across the set of k nearest neighbor reference proteins, where k is a user-defined parameter. Experimental evaluation demonstrates that ProtNN is able to accurately classify several datasets in an extremely fast runtime compared to state-of-the-art approaches. We further show that ProtNN is able to scale up to a whole PDB dataset in a single-process mode with no parallelization, with a gain of thousands order of magnitude of runtime compared to state-of-the-art approaches