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Graph Neural Networks (GNNs) have shown remarkable success across various scientific fields, yet their adoption in critical decision-making is often hindered by a lack of interpretability. Recently, intrinsically interpretable GNNs have…
The (gradient-based) bilevel programming framework is widely used in hyperparameter optimization and has achieved excellent performance empirically. Previous theoretical work mainly focuses on its optimization properties, while leaving the…
Topology optimization has emerged as a popular approach to refine a component's design and increase its performance. However, current state-of-the-art topology optimization frameworks are compute-intensive, mainly due to multiple finite…
Segmentation-based, two-stage neural network has shown excellent results in the surface defect detection, enabling the network to learn from a relatively small number of samples. In this work, we introduce end-to-end training of the…
Recently, deep learning has shown its power in steganalysis. However, the proposed deep models have been often learned from pre-calculated noise residuals with fixed high-pass filters rather than from raw images. In this paper, we propose a…
In the problem of structured prediction with graph representation learning (GRL for short), the hypothesis returned by the algorithm maps the set of features in the \emph{receptive field} of the targeted vertex to its label. To understand…
In recent years, graph representation learning has gained significant popularity, which aims to generate node embeddings that capture features of graphs. One of the methods to achieve this is employing a technique called random walks that…
Motivation: Despite its great success in various physical modeling, differential geometry (DG) has rarely been devised as a versatile tool for analyzing large, diverse and complex molecular and biomolecular datasets due to the limited…
Molecular property prediction with deep learning has gained much attention over the past years. Owing to the scarcity of labeled molecules, there has been growing interest in self-supervised learning methods that learn generalizable…
We consider the task of semantic robotic grasping, in which a robot picks up an object of a user-specified class using only monocular images. Inspired by the two-stream hypothesis of visual reasoning, we present a semantic grasping…
Topological data analysis (TDA) is an emerging mathematical concept for characterizing shapes in complex data. In TDA, persistence diagrams are widely recognized as a useful descriptor of data, and can distinguish robust and noisy…
Graph deep learning has recently emerged as a powerful ML concept allowing to generalize successful deep neural architectures to non-Euclidean structured data. Such methods have shown promising results on a broad spectrum of applications…
We present an end-to-end, interpretable, deep-learning architecture to learn a graph kernel that predicts the outcome of chronic disease drug prescription. This is achieved through a deep metric learning collaborative with a Support Vector…
Many modern applications involve predicting structured, non-Euclidean outputs such as probability distributions, networks, and symmetric positive-definite matrices. These outputs are naturally modeled as elements of general metric spaces,…
Bifiltered graphs are a versatile tool for modelling relations between data points across multiple grades of a two-dimensional scale. They are especially popular in topological data analysis, where the homological properties of the induced…
In this work, we develop a pipeline that associates Persistence Diagrams to digital data via the most appropriate filtration for the type of data considered. Using a grid search approach, this pipeline determines optimal representation…
Graph Transformer (GT) has recently emerged as a promising neural network architecture for learning graph-structured data. However, its global attention mechanism with quadratic complexity concerning the graph scale prevents wider…
Dynamic graph representation learning strategies are based on different neural architectures to capture the graph evolution over time. However, the underlying neural architectures require a large amount of parameters to train and suffer…
Learning a graph topology to reveal the underlying relationship between data entities plays an important role in various machine learning and data analysis tasks. Under the assumption that structured data vary smoothly over a graph, the…
The quality of a graph is determined jointly by three key factors of the graph: nodes, edges and similarity measure (or edge weights), and is very crucial to the success of graph-based semi-supervised learning (SSL) approaches. Recently,…