Huiyu Li — Page 2 | Searcharxiv

arXiv2020

Kinetic energy flows in activated dynamics of biomolecules

Protein conformational changes are activated processes essential for protein functions. Activation in a protein differs from activation in a small molecule in that it involves directed and systematic energy flows through preferred channels encoded in the protein structure. Understanding the nature of these energy flow channels and how energy flows through them during activation is critical for understanding protein conformational changes. We recently developed a rigorous statistical mechanical framework for understanding potential energy flows. Here we complete this theoretical framework with a rigorous theory for kinetic energy flows: potential and kinetic energy inter-convert when impressed forces oppose inertial forces whereas kinetic energy transfers directly from one coordinate to another when inertial forces oppose each other. This theory is applied to analyzing a prototypic system for biomolecular conformational dynamics: the isomerization of an alanine dipeptide. Among the two essential energy flow channels for this process, dihedral phi confronts the activation barrier, whereas dihedral theta receives energy from potential energy flows. Intriguingly, theta helps phi to cross the activation barrier by transferring to phi via direct kinetic energy flow all the energy it received: increase in theta caused by potential energy flow converts into increase in phi. As a compensation, theta receives kinetic energy from bond angle alpha via direct mechanism and bond angle beta via indirect mechanism.

physics.bio-ph↗

arXiv2019

A New Three-stage Curriculum Learning Approach to Deep Network Based Liver Tumor Segmentation

Automatic segmentation of liver tumors in medical images is crucial for the computer-aided diagnosis and therapy. It is a challenging task, since the tumors are notoriously small against the background voxels. This paper proposes a new three-stage curriculum learning approach for training deep networks to tackle this small object segmentation problem. The learning in the first stage is performed on the whole input to obtain an initial deep network for tumor segmenta-tion. Then the second stage of learning focuses the strength-ening of tumor specific features by continuing training the network on the tumor patches. Finally, we retrain the net-work on the whole input in the third stage, in order that the tumor specific features and the global context can be inte-grated ideally under the segmentation objective. Benefitting from the proposed learning approach, we only need to em-ploy one single network to segment the tumors directly. We evaluated our approach on the 2017 MICCAI Liver Tumor Segmentation challenge dataset. In the experiments, our approach exhibits significant improvement compared with the commonly used cascaded counterpart.

eess.IV↗