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In machine learning, exploring data correlations to predict outcomes is a fundamental task. Recognizing causal relationships embedded within data is pivotal for a comprehensive understanding of system dynamics, the significance of which is…
Deep learning has consistently defied state-of-the-art techniques in many fields over the last decade. However, we are just beginning to understand the capabilities of neural learning in symbolic domains. Deep learning architectures that…
With the wide-spread availability of complex relational data, semi-supervised node classification in graphs has become a central machine learning problem. Graph neural networks are a recent class of easy-to-train and accurate methods for…
Graph neural networks (GNNs) have become compelling models designed to perform learning and inference on graph-structured data. However, little work has been done to understand the fundamental limitations of GNNs for scaling to larger…
Graph representation learning has achieved a remarkable success in many graph-based applications, such as node classification, link prediction, and community detection. These models are usually designed to preserve the vertex information at…
Graph learning is currently dominated by graph kernels, which, while powerful, suffer some significant limitations. Convolutional Neural Networks (CNNs) offer a very appealing alternative, but processing graphs with CNNs is not trivial. To…
Traditional machine learning methods heavily rely on the independent and identically distribution assumption, which imposes limitations when the test distribution deviates from the training distribution. To address this crucial issue,…
Graph generation is a fundamental problem in various domains, including chemistry and social networks. Recent work has shown that molecular graph generation using recurrent neural networks (RNNs) is advantageous compared to traditional…
Graph similarity is critical in graph-related tasks such as graph retrieval, where metrics like maximum common subgraph (MCS) and graph edit distance (GED) are commonly used. However, exact computations of these metrics are known to be…
Graph neural networks (GNNs) have emerged as a powerful model to capture critical graph patterns. Instead of treating them as black boxes in an end-to-end fashion, attempts are arising to explain the model behavior. Existing works mainly…
Intrinsic interpretability of graph neural networks (GNNs) is to find a small subset of the input graph's features -- rationale -- which guides the model prediction. Unfortunately, the leading rationalization models often rely on data…
Graph Neural Networks (GNNs) have demonstrated remarkable performance in a wide range of tasks, such as node classification, link prediction, and graph classification, by exploiting the structural information in graph-structured data.…
Graph machine learning (GML) has been successfully applied across a wide range of tasks. Nonetheless, GML faces significant challenges in generalizing over out-of-distribution (OOD) data, which raises concerns about its wider applicability.…
Graph neural networks (GNNs), as a group of powerful tools for representation learning on irregular data, have manifested superiority in various downstream tasks. With unstructured texts represented as concept maps, GNNs can be exploited…
Graph Neural Networks (GNNs) have become essential in interpreting relational data across various domains, yet, they often struggle to generalize to unseen graph data that differs markedly from training instances. In this paper, we…
Graph Neural Networks (GNNs) are effective for node classification in graph-structured data, but they lack explainability, especially at the global level. Current research mainly utilizes subgraphs of the input as local explanations or…
Selective rationalization explains the prediction of complex neural networks by finding a small subset of the input that is sufficient to predict the neural model output. The selection mechanism is commonly integrated into the model itself…
Convolutional neural network (CNN)-based feature learning has become state of the art, since given sufficient training data, CNN can significantly outperform traditional methods for various classification tasks. However, feature learning…
Causal discovery from observational data is challenging, especially with large datasets and complex relationships. Traditional methods often struggle with scalability and capturing global structural information. To overcome these…
Network representation learning (NRL) is a powerful technique for learning low-dimensional vector representation of high-dimensional and sparse graphs. Most studies explore the structure and metadata associated with the graph using random…