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Determining the different conformational states of a protein and the transition paths between them is key to fully understanding the relationship between biomolecular structure and function. This can be accomplished by sampling protein…
In i-theory a typical layer of a hierarchical architecture consists of HW modules pooling the dot products of the inputs to the layer with the transformations of a few templates under a group. Such layers include as special cases the…
Spatial convolution is arguably the most fundamental of 2D image processing operations. Conventional spatial image convolution can only be applied to a conventional image, that is, an array of pixel values (or similar image representation)…
We propose a generalization of convolutional neural networks (CNNs) to irregular domains, through the use of a translation operator on a graph structure. In regular settings such as images, convolutional layers are designed by translating a…
We apply recent advances in machine learning and computer vision to a central problem in materials informatics: The statistical representation of microstructural images. We use activations in a pre-trained convolutional neural network to…
We present diffusion-convolutional neural networks (DCNNs), a new model for graph-structured data. Through the introduction of a diffusion-convolution operation, we show how diffusion-based representations can be learned from…
The convolution operator is the fundamental building block of modern convolutional neural networks (CNNs), owing to its simplicity, translational equivariance, and efficient implementation. However, its structure as a fixed, linear,…
Recently, three dimensional (3D) convolutional neural networks (CNNs) have emerged as dominant methods to capture spatiotemporal representations in videos, by adding to pre-existing 2D CNNs a third, temporal dimension. Such 3D CNNs,…
Convolutional neural network (CNN) is widely used in computer vision applications. In the networks that deal with images, CNNs are the most time-consuming layer of the networks. Usually, the solution to address the computation cost is to…
This paper proposes a novel deep subspace clustering approach which uses convolutional autoencoders to transform input images into new representations lying on a union of linear subspaces. The first contribution of our work is to insert…
Learning interpretable representations of neural dynamics at a population level is a crucial first step to understanding how observed neural activity relates to perception and behavior. Models of neural dynamics often focus on either…
Deep neural networks are representation learning techniques. During training, a deep net is capable of generating a descriptive language of unprecedented size and detail in machine learning. Extracting the descriptive language coded within…
We propose an efficient and straightforward method for compressing deep convolutional neural networks (CNNs) that uses basis filters to represent the convolutional layers, and optimizes the performance of the compressed network directly in…
Recurrent neural networks are machine learning algorithms which are suited well to predict time series. Echo state networks are one specific implementation of such neural networks that can describe the evolution of dynamical systems by…
Thermal convection in an inclined layer between two parallel walls kept at different fixed temperatures is studied for fixed Prandtl number Pr=1.07. Depending on the angle of inclination and the imposed temperature difference, the flow…
Neural networks transform high-dimensional data into compact, structured representations, often modeled as elements of a lower dimensional latent space. In this paper, we present an alternative interpretation of neural models as dynamical…
This paper presents a novel approach to exploit the distinctive invariant features in convolutional neural network. The proposed CNN model uses Scale Invariant Feature Transform (SIFT) descriptor instead of the max-pooling layer.…
How do sequence models represent their decision-making process? Prior work suggests that Othello-playing neural network learned nonlinear models of the board state (Li et al., 2023). In this work, we provide evidence of a closely related…
When applying a convolutional kernel to an image, if the output is to remain the same size as the input then some form of padding is required around the image boundary, meaning that for each layer of convolution in a convolutional neural…
Convolutional neural networks (CNNs) have enabled the state-of-the-art performance in many computer vision tasks. However, little effort has been devoted to establishing convolution in non-linear space. Existing works mainly leverage on the…