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The need for function estimation in label-limited settings is common in the natural sciences. At the same time, prior knowledge of function values is often available in these domains. For example, data-free biophysics-based models can be…

Lots of learning tasks require dealing with graph data which contains rich relation information among elements. Modeling physics systems, learning molecular fingerprints, predicting protein interface, and classifying diseases demand a model…

Graph hypernetworks (GHNs), constructed by combining graph neural networks (GNNs) with hypernetworks (HNs), leverage relational data across various domains such as neural architecture search, molecular property prediction and federated…

We present a new family of exchangeable stochastic processes, the Functional Neural Processes (FNPs). FNPs model distributions over functions by learning a graph of dependencies on top of latent representations of the points in the given…

Graph neural networks have emerged as a promising approach for the analysis of non-Euclidean data such as meshes. In medical imaging, mesh-like data plays an important role for modelling anatomical structures, and shape classification can…

There are two fundamental problems in applying deep learning/machine learning methods to disease classification tasks, one is the insufficient number and poor quality of training samples; another one is how to effectively fuse multiple…

The aim of this project is to develop a code to discover the optimal sigma value that maximum the F1 score and the optimal sigma value that maximizes the accuracy and to find out if they are the same. Four algorithms which can be used to…

Graph neural networks (GNNs), as the de-facto model class for representation learning on graphs, are built upon the multi-layer perceptrons (MLP) architecture with additional message passing layers to allow features to flow across nodes.…

Methods based on Deep Learning have recently been applied on astrophysical parameter recovery thanks to their ability to capture information from complex data. One of these methods is the approximate Bayesian Neural Networks (BNNs) which…

Graph Neural Networks (GNNs) have emerged as a powerful tool to learn from graph-structured data. A paramount example of such data is the brain, which operates as a network, from the micro-scale of neurons, to the macro-scale of regions.…

We introduce a new structure for memory neural networks, called feedforward sequential memory networks (FSMN), which can learn long-term dependency without using recurrent feedback. The proposed FSMN is a standard feedforward neural…

Graph Neural Networks (GNN) are currently the most popular approach for learning and prediction on graph-structured data and are deployed in various fields, from social network analysis to drug discovery. However, there is limited…

Machine learning techniques for road networks hold the potential to facilitate many important transportation applications. Graph Convolutional Networks (GCNs) are neural networks that are capable of leveraging the structure of a road…

A graphical model is a structured representation of locally dependent random variables. A traditional method to reason over these random variables is to perform inference using belief propagation. When provided with the true data generating…

Graph Neural Networks (GNNs) are the first choice for learning algorithms on graph data. GNNs promise to integrate (i) node features as well as (ii) edge information in an end-to-end learning algorithm. How does this promise work out…

In typical scenarios where the Federated Learning (FL) framework applies, it is common for clients to have insufficient training data to produce an accurate model. Thus, models that provide not only point estimations, but also some notion…

Deep learning has gained great success in various classification tasks. Typically, deep learning models learn underlying features directly from data, and no underlying relationship between classes are included. Similarity between classes…

Nowadays the development of new functional materials/chemical compounds using machine learning (ML) techniques is a hot topic and includes several crucial steps, one of which is the choice of chemical structure representation. Classical…

In this work, a novel multifidelity machine learning (ML) model, the gradient-enhanced multifidelity neural networks (GEMFNNs), is proposed. This model is a multifidelity version of gradient-enhanced neural networks (GENNs) as it uses both…

We study a recent class of models which uses graph neural networks (GNNs) to improve forecasting in multivariate time series. The core assumption behind these models is that there is a latent graph between the time series (nodes) that…