Orthogonal Gated Recurrent Unit With Neumann-Cayley Transformation.

In recent years, using orthogonal matrices has been shown to be a promising approach to improving recurrent neural networks (RNNs) with training, stability, and convergence, particularly to control gradients. While gated recurrent unit (GRU) and long short-term memory (LSTM) architectures address the vanishing gradient problem by using a variety of gates and memory cells, they are still prone to the exploding gradient problem. In this work, we analyze the gradients in GRU and propose the use of orthogonal matrices to prevent exploding gradient problems and enhance long-term memory.

Novel Molecular Representations Using Neumann-Cayley Orthogonal Gated Recurrent Unit.

Advances in deep neural networks (DNNs) have made a very powerful machine learning method available to researchers across many fields of study, including the biomedical and cheminformatics communities, where DNNs help to improve tasks such as protein performance, molecular design, drug discovery, etc. Many of those tasks rely on molecular descriptors for representing molecular characteristics in cheminformatics. Despite significant efforts and the introduction of numerous methods that derive molecular descriptors, the quantitative prediction of molecular properties remains challenging.

Adaptive Weighted Discriminator for Training Generative Adversarial Networks.

Generative adversarial network (GAN) has become one of the most important neural network models for classical unsupervised machine learning. A variety of discriminator loss functions have been developed to train GAN's discriminators and they all have a common structure: a sum of real and fake losses that only depends on the actual and generated data respectively. One challenge associated with an equally weighted sum of two losses is that the training may benefit one loss but harm the other, which we show causes instability and mode collapse.