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A variety of real-world processes (over networks) produce sequences of data whose complex temporal dynamics need to be studied. More especially, the event timestamps can carry important information about the underlying network dynamics,…
We present multi-point optimization: an optimization technique that allows to train several models simultaneously without the need to keep the parameters of each one individually. The proposed method is used for a thorough empirical…
Graph Neural Networks (GNNs) have made significant advancements in node classification, but their success relies on sufficient labeled nodes per class in the training data. Real-world graph data often exhibits a long-tail distribution with…
Deep neural networks, when optimized with sufficient data, provide accurate representations of high-dimensional functions; in contrast, function approximation techniques that have predominated in scientific computing do not scale well with…
We propose a greedy algorithm to select $N$ important features among $P$ input features for a non-linear prediction problem. The features are selected one by one sequentially, in an iterative loss minimization procedure. We use neural…
This study proposes a hybrid deep-learning-metaheuristic framework with a bi-level architecture for road network design problems (NDPs). We train a graph neural network (GNN) to approximate the solution of the user equilibrium (UE) traffic…
Predictive Business Process Monitoring (PBPM) aims to forecast future events in ongoing cases based on historical event logs. While Graph Neural Networks (GNNs) are well suited to capture structural dependencies in process data, existing…
Signed Graph Neural Networks (SGNNs) are effective in learning expressive representations for signed graphs but typically require substantial task-specific labels, limiting their applicability in label-scarce industrial scenarios. In…
Transport is an important function of networks. Studying transport efficiency sheds light on the dynamic processes occurring within various underlying structures and offers a wide range of applications. To construct networks with different…
Strategies to improve the predicting performance of Message-Passing Neural-Networks for molecular property predictions can be achieved by simplifying how the message is passed and by using descriptors that capture multiple aspects of…
We identify a phenomenon, which we refer to as multi-model forgetting, that occurs when sequentially training multiple deep networks with partially-shared parameters; the performance of previously-trained models degrades as one optimizes a…
Data and knowledge representation are fundamental concepts in machine learning. The quality of the representation impacts the performance of the learning model directly. Feature learning transforms or enhances raw data to structures that…
This work presents the use of graph learning for the prediction of multi-step experimental outcomes for applications across experimental research, including material science, chemistry, and biology. The viability of geometric learning for…
In deep neural networks, better results can often be obtained by increasing the complexity of previously developed basic models. However, it is unclear whether there is a way to boost performance by decreasing the complexity of such models.…
Temporal Point Processes (TPPs), especially Hawkes Process are commonly used for modeling asynchronous event sequences data such as financial transactions and user behaviors in social networks. Due to the strong fitting ability of neural…
A key performance bottleneck when training graph neural network (GNN) models on large, real-world graphs is loading node features onto a GPU. Due to limited GPU memory, expensive data movement is necessary to facilitate the storage of these…
Hidden Markov model (HMM) has been successfully used for sequential data modeling problems. In this work, we propose to power the modeling capacity of HMM by bringing in neural network based generative models. The proposed model is termed…
Several high-throughput distributed data-processing applications require multi-hop processing of streams of data. These applications include continual processing on data streams originating from a network of sensors, composing a multimedia…
We address the efficiency issue for the construction of a deep graph neural network (GNN). The approach exploits the idea of representing each input graph as a fixed point of a dynamical system (implemented through a recurrent neural…
We analyze graph smoothing with \emph{mean aggregation}, where each node successively receives the average of the features of its neighbors. Indeed, it has quickly been observed that Graph Neural Networks (GNNs), which generally follow some…