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Logical Neural Networks (LNNs) are a type of architecture which combine a neural network's abilities to learn and systems of formal logic's abilities to perform symbolic reasoning. LLNs provide programmers the ability to implicitly modify…

Graph neural networks (GNNs) are a type of deep learning models that are trained on graphs and have been successfully applied in various domains. Despite the effectiveness of GNNs, it is still challenging for GNNs to efficiently scale to…

Using machine learning, we explore the utility of various deep neural networks (NN) when applied to high harmonic generation (HHG) scenarios. First, we train the NNs to predict the time-dependent dipole and spectra of HHG emission from…

Modern neuroimaging techniques, such as diffusion tensor imaging (DTI) and functional magnetic resonance imaging (fMRI), enable us to model the human brain as a brain network or connectome. Capturing brain networks' structural information…

The distributional simplicity bias (DSB) posits that neural networks learn low-order moments of the data distribution first, before moving on to higher-order correlations. In this work, we present compelling new evidence for the DSB by…

Deep neural networks have been proven powerful at processing perceptual data, such as images and audio. However for tabular data, tree-based models are more popular. A nice property of tree-based models is their natural interpretability. In…

It is commonly believed that the hidden layers of deep neural networks (DNNs) attempt to extract informative features for learning tasks. In this paper, we formalize this intuition by showing that the features extracted by DNN coincide with…

Recent advances in Deep Learning show the existence of image-agnostic quasi-imperceptible perturbations that when applied to `any' image can fool a state-of-the-art network classifier to change its prediction about the image label. These…

This paper proposes a fractional order gradient method for the backward propagation of convolutional neural networks. To overcome the problem that fractional order gradient method cannot converge to real extreme point, a simplified…

The theory-guided neural network (TgNN) is a kind of method which improves the effectiveness and efficiency of neural network architectures by incorporating scientific knowledge or physical information. Despite its great success, the…

Despite much research, Graph Neural Networks (GNNs) still do not display the favorable scaling properties of other deep neural networks such as Convolutional Neural Networks and Transformers. Previous work has identified issues such as…

Graphs neural networks (GNNs) learn node features by aggregating and combining neighbor information, which have achieved promising performance on many graph tasks. However, GNNs are mostly treated as black-boxes and lack human intelligible…

Advanced deep neural networks (DNNs), designed by either human or AutoML algorithms, are growing increasingly complex. Diverse operations are connected by complicated connectivity patterns, e.g., various types of skip connections. Those…

Deep neural networks (NNs) encounter scalability limitations when confronted with a vast array of neurons, thereby constraining their achievable network depth. To address this challenge, we propose an integration of tensor networks (TN)…

Lifted Relational Neural Networks (LRNNs) describe relational domains using weighted first-order rules which act as templates for constructing feed-forward neural networks. While previous work has shown that using LRNNs can lead to…

Calculating perturbation response properties of materials from first principles provides a vital link between theory and experiment, but is bottlenecked by the high computational cost. Here a general framework is proposed to perform density…

Deep reinforcement learning (DRL) has achieved significant breakthroughs in various tasks. However, most DRL algorithms suffer a problem of generalizing the learned policy which makes the learning performance largely affected even by minor…

Inverse problems arise anywhere we have indirect measurement. As, in general they are ill-posed, to obtain satisfactory solutions for them needs prior knowledge. Classically, different regularization methods and Bayesian inference based…

Humans gain an implicit understanding of physical laws through observing and interacting with the world. Endowing an autonomous agent with an understanding of physical laws through experience and observation is seldom practical: we should…

Deep neural networks are renowned for their ability to generalise well across diverse tasks, even when heavily overparameterized. Existing works offer only partial explanations (for example, the NTK-based task-model alignment explanation…