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Dynamic knowledge graphs (DKGs) are popular structures to express different types of connections between objects over time. They can also serve as an efficient mathematical tool to represent information extracted from complex unstructured…
Graph generation is a crucial task in many fields, including network science and bioinformatics, as it enables the creation of synthetic graphs that mimic the properties of real-world networks for various applications. Graph Generative…
Graph Neural Networks (GNNs) are the currently most effective methods for predicting molecular properties but there remains a need for more accurate models. GNN accuracy can be improved by increasing the model complexity but this also…
Graph neural network (GNN) models are increasingly being used for the classification of electroencephalography (EEG) data. However, GNN-based diagnosis of neurological disorders, such as Alzheimer's disease (AD), remains a relatively…
Expressivity plays a fundamental role in evaluating deep neural networks, and it is closely related to understanding the limit of performance improvement. In this paper, we propose a three-pipeline training framework based on critical…
Predicting the effect of amino acid mutations on enzyme thermodynamic stability (DDG) is fundamental to protein engineering and drug design. While recent deep learning approaches have shown promise, they often process sequence and structure…
In recent years Deep Neural Networks (DNNs) have been rapidly developed in various applications, together with increasingly complex architectures. The performance gain of these DNNs generally comes with high computational costs and large…
Network performance modeling presents important challenges in modern computer networks due to increasing complexity, scale, and diverse traffic patterns. While traditional approaches like queuing theory and packet-level simulation have…
The ability to train large-scale neural networks has resulted in state-of-the-art performance in many areas of computer vision. These results have largely come from computational break throughs of two forms: model parallelism, e.g. GPU…
Past few years have witnessed exponential growth of interest in deep learning methodologies with rapidly improving accuracies and reduced computational complexity. In particular, architectures using Convolutional Neural Networks (CNNs) have…
In this paper, we propose MGNet, a simple and effective multiplex graph convolutional network (GCN) model for multimodal brain network analysis. The proposed method integrates tensor representation into the multiplex GCN model to extract…
Quantum neural networks form one pillar of the emergent field of quantum machine learning. Here, quantum generalisations of classical networks realizing associative memories - capable of retrieving patterns, or memories, from corrupted…
Massive multiple-input multiple-output (MIMO) offers significant advantages in spectral and energy efficiencies, positioning it as a cornerstone technology of fifth-generation (5G) wireless communication systems and a promising solution for…
Density functional theory (DFT) stands as a cornerstone method in computational quantum chemistry and materials science due to its remarkable versatility and scalability. Yet, it suffers from limitations in accuracy, particularly when…
Graph neural networks (GNNs) are a class of deep models that operate on data with arbitrary topology represented as graphs. We introduce an efficient memory layer for GNNs that can jointly learn node representations and coarsen the graph.…
Functional brain network (FBN) modeling often relies on local pairwise interactions, whose limitation in capturing high-order dependencies is theoretically analyzed in this paper. Meanwhile, the computational burden and heuristic nature of…
Generative neural networks can produce data samples according to the statistical properties of their training distribution. This feature can be used to test modern computational neuroscience hypotheses suggesting that spontaneous brain…
Accurate energy consumption forecasting is essential for efficient resource management and sustainability in the building sector. Deep learning models are highly successful but struggle with limited historical data and become unusable when…
We introduce the Dynamic Capacity Network (DCN), a neural network that can adaptively assign its capacity across different portions of the input data. This is achieved by combining modules of two types: low-capacity sub-networks and…
Aiming to accelerate the training of large deep neural networks (DNN) in an energy-efficient way, analog in-memory computing (AIMC) emerges as a solution with immense potential. AIMC accelerator keeps model weights in memory without moving…