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Predicting properties of crystals from their structures is a fundamental yet challenging task in materials science. Unlike molecules, crystal structures exhibit infinite periodic arrangements of atoms, requiring methods capable of capturing…
We consider the learning of algorithmic tasks by mere observation of input-output pairs. Rather than studying this as a black-box discrete regression problem with no assumption whatsoever on the input-output mapping, we concentrate on tasks…
We propose a novel way to incorporate expert knowledge into the training of deep neural networks. Many approaches encode domain constraints directly into the network architecture, requiring non-trivial or domain-specific engineering. In…
Hypernetworks, or hypernets for short, are neural networks that generate weights for another neural network, known as the target network. They have emerged as a powerful deep learning technique that allows for greater flexibility,…
This paper presents Discriminative Part Network (DP-Net), a deep architecture with strong interpretation capabilities, which exploits a pretrained Convolutional Neural Network (CNN) combined with a part-based recognition module. This system…
With massive amounts of atomic simulation data available, there is a huge opportunity to develop fast and accurate machine learning models to approximate expensive physics-based calculations. The key quantity to estimate is atomic forces,…
Convolutional neural networks use pooling and other downscaling operations to maintain translational invariance for detection of features, but in their architecture they do not explicitly maintain a representation of the locations of the…
We develop a uniform theoretical approach towards the analysis of various neural network connectivity architectures by introducing the notion of a quiver neural network. Inspired by quiver representation theory in mathematics, this approach…
Convolutional neural networks (CNNs) are the cutting edge model for supervised machine learning in computer vision. In recent years CNNs have outperformed traditional approaches in many computer vision tasks such as object detection, image…
Neural networks are omnipresent, but remain poorly understood. Their increasing complexity and use in critical systems raises the important challenge to full interpretability. We propose to address a simple well-posed learning problem:…
Deep learning has made significant strides in automated brain tumor segmentation from magnetic resonance imaging (MRI) scans in recent years. However, the reliability of these tools is hampered by the presence of poor-quality segmentation…
Traditional physics-informed neural networks (PINNs) do not always satisfy physics based constraints, especially when the constraints include differential operators. Rather, they minimize the constraint violations in a soft way. Strict…
The barren plateau problem in quantum neural networks (QNNs) is a significant challenge that hinders the practical success of QNNs. In this paper, we introduce residual quantum neural networks (ResQNets) as a solution to address this…
This work presents a quantum convolutional neural network (QCNN) for the classification of high energy physics events. The proposed model is tested using a simulated dataset from the Deep Underground Neutrino Experiment. The proposed…
Graph Neural Networks (GNN) rely on graph convolutions to learn features from network data. GNNs are stable to different types of perturbations of the underlying graph, a property that they inherit from graph filters. In this paper we…
In recent years, deep neural networks have achieved great success in the field of computer vision. However, it is still a big challenge to deploy these deep models on resource-constrained embedded devices such as mobile robots, smart phones…
The objective of this work is to segment high-resolution images without overloading GPU memory usage or losing the fine details in the output segmentation map. The memory constraint means that we must either downsample the big image or…
Neural Network is a powerful Machine Learning tool that shows outstanding performance in Computer Vision, Natural Language Processing, and Artificial Intelligence. In particular, recently proposed ResNet architecture and its modifications…
Input-Convex Neural Networks (ICNNs) are networks that guarantee convexity in their input-output mapping. These networks have been successfully applied for energy-based modelling, optimal transport problems and learning invariances. The…
This paper proposes a physics-informed learning framework for a class of recurrent neural networks tailored to large-scale and networked systems. The approach aims to learn control-oriented models that preserve the structural and stability…