Related papers: Conformal Graph Prediction with Z-Gromov Wasserste…

The Gromov--Wasserstein (GW) distance and its fused extension (FGW) are powerful tools for comparing heterogeneous data. Their computation is, however, challenging since both distances are based on non-convex, quadratic optimal transport…

Variational approximation, such as mean-field (MF) and tree-reweighted (TRW), provide a computationally efficient approximation of the log-partition function for a generic graphical model. TRW provably provides an upper bound, but the…

Score-based Generative Models (SGMs) approximate a data distribution by perturbing it with Gaussian noise and subsequently denoising it via a learned reverse diffusion process. These models excel at modeling complex data distributions and…

In many structured prediction problems, complex relationships between variables are compactly defined using graphical structures. The most prevalent graphical prediction methods---probabilistic graphical models and large margin…

Recently, deep learning based methods have demonstrated promising results on the graph matching problem, by relying on the descriptive capability of deep features extracted on graph nodes. However, one main limitation with existing deep…

Knowledge Graph Question Answering (KGQA) has shown promise for grounded and interpretable reasoning, yet existing approaches often fail to provide reliable coverage guarantees over retrieved answers. While Conformal Prediction (CP) offers…

Gromov-Wasserstein distance has found many applications in machine learning due to its ability to compare measures across metric spaces and its invariance to isometric transformations. However, in certain applications, this invariance…

Graphs are versatile tools for representing structured data. As a result, a variety of machine learning methods have been studied for graph data analysis. Although many such learning methods depend on the measurement of differences between…

Recently, Graph Neural Networks (GNNs) have greatly advanced the task of graph classification. Typically, we first build a unified GNN model with graphs in a given training set and then use this unified model to predict labels of all the…

In the modern age of social media and networks, graph representations of real-world phenomena have become an incredibly useful source to mine insights. Often, we are interested in understanding how entities in a graph are interconnected.…

Conformal prediction (CP) for regression can be challenging, especially when the output distribution is heteroscedastic, multimodal, or skewed. Some of the issues can be addressed by estimating a distribution over the output, but in…

Forecasting surgical instrument trajectories and predicting the next surgical action recently started to attract attention from the research community. Both these tasks are crucial for automation and assistance in endoscopy surgery. Given…

Graph similarity computation (GSC) is to calculate the similarity between one pair of graphs, which is a fundamental problem with fruitful applications in the graph community. In GSC, graph edit distance (GED) and maximum common subgraph…

The Gromov-Wasserstein (GW) distance is a powerful tool for comparing metric measure spaces which has found broad applications in data science and machine learning. Driven by the need to analyze datasets whose objects have increasingly…

Accurate and reliable prediction has profound implications to a wide range of applications. In this study, we focus on an instance of spatio-temporal learning problem--traffic prediction--to demonstrate an advanced deep learning model…

Although conformal prediction provides robust marginal coverage guarantees, achieving reliable conditional coverage for specific inputs remains challenging. While exact distribution-free conditional coverage is impossible with finite…

Graph learning from data represents a canonical problem that has received substantial attention in the literature. However, insufficient work has been done in incorporating prior structural knowledge onto the learning of underlying…

Most graph kernels are an instance of the class of $\mathcal{R}$-Convolution kernels, which measure the similarity of objects by comparing their substructures. Despite their empirical success, most graph kernels use a naive aggregation of…

Gaussian processes (GPs) are a Bayesian machine learning approach widely used to construct surrogate models for the uncertainty quantification of computer simulation codes in industrial applications. It provides both a mean predictor and an…

Conditional probabilistic graphical models provide a powerful framework for structured regression in spatio-temporal datasets with complex correlation patterns. However, in real-life applications a large fraction of observations is often…