25 accepted papers
Cross-modal image translation remains brittle and inefficient. Standard diffusion approaches often rely on a single, global linear transfer between domains. We find that this shortcut forces the sampler to traverse off-manifold, high-cost regions, inflating the correction burden and inviting semanti…
Large language models (LLMs) are increasingly used in scientific discovery, system modeling, and decision-making, prompting interest in their ability to reason over complex structured data. Existing benchmarks primarily focus on static or local graph reasoning, overlooking the high-order structures …
Spatio-temporal point process (STPP) data appear in many domains. A natural way to model them is to describe how the instantaneous event rate varies over space and time given the observed history which enables interpretation, interaction detection, and forecasting. Traditional parametric kernel-base…
Graph classification in medical imaging and drug discovery requires accuracy and robust uncertainty quantification. To address this need, we introduce Conditional Prediction ROC (CP-ROC) bands, offering uncertainty quantification for ROC curves and robustness to distributional shifts in test data. A…
Satellite imagery is a readily available data source for monitoring a broad range of urban geographical contexts related to environmental, socio-demographic, and health disparities. To analyze satellite images, deep learning (DL) tools efficiently extract latent multi-dimensional characteristics, be…
Tactile sensors play a crucial role in enabling robots to interact effectively and safely with objects in everyday tasks. In particular, visuotactile sensors have seen increasing usage in two and three-fingered grippers due to their high-quality feedback. However, a significant gap remains in the de
Dynamic graphs evolve continuously, presenting challenges for traditional graph learning due to their changing structures and temporal dependencies. Recent advancements have shown potential in addressing these challenges by developing suitable meta-learning-based dynamic graph neural network models.…
Diffusion models have recently emerged as a new powerful machinery for generative artificial intelligence on graphs, with applications ranging from drug design to knowledge discovery. However, despite their high potential, most, if not all, existing graph diffusion models are limited in their abilit…
Pre-training has emerged as a dominant paradigm in graph representation learning to address data scarcity and generalization challenges. The majority of existing methods primarily focus on refining fine-tuning and prompting techniques to extract information from pre-trained models. However, the effe…
Tactile perception is crucial for robots to interact effectively with their environments, particularly in cluttered settings or when visual sensing is unavailable. However, a major limitation is the insufficient coverage of tactile sensors on current robots, which makes navigating cluttered spaces c
Capitalizing on the intuitive premise that shape characteristics are more robust to perturbations, we bridge adversarial graph learning with the emerging tools from computational topology, namely, persistent homology representations of graphs. We introduce the concept of witness complex to adversari…
Dynamics of many complex systems, from weather and climate to spread of infectious diseases, can be described by partial differential equations (PDEs). Such PDEs involve unknown function(s), partial derivatives, and typically multiple independent variables. The traditional numerical methods for sol…
Graph classification is an important learning task for graph-structured data. Graph neural networks (GNNs) have recently gained growing attention in graph learning and shown significant improvements on many important graph problems. Despite their state-of-the-art performances, existing GNNs only use…
Learning time-evolving objects such as multivariate time series and dynamic networks requires the development of novel knowledge representation mechanisms and neural network architectures, which allow for capturing implicit time-dependent information contained in the data. Such information is typica…
Graph contrastive learning (GCL) has recently emerged as a new concept which allows for capitalizing on the strengths of graph neural networks (GNNs) to learn rich representations in a wide variety of applications which involve abundant unlabeled information. However, existing GCL approaches largel…
Efficient multi-robot task allocation (MRTA) is fundamental to various time-sensitive applications such as disaster response, warehouse operations, and construction. This paper tackles a particular class of these problems that we call MRTA-collective transport or MRTA-CT - here tasks present varying…
Supervised graph classification is one of the most actively developing areas in machine learning (ML), with a broad range of domain applications, from social media to bioinformatics. Given a collection of graphs with categorical labels, the goal is to predict correct classes for unlabelled graphs. H…
Coronavirus Disease 2019 (COVID-19) pneumonia started in December 2019 and cases have been reported in 240 countries/regions with more than 570 million confirmed cases and more than 6 million deaths which caused large casualties and huge economic losses. To enhance the understanding of the levels of…
Graph neural networks (GNNs) have demonstrated a significant success in various graph learning tasks, from graph classification to anomaly detection. There recently has emerged a number of approaches adopting a graph pooling operation within GNNs, with a goal to preserve graph attributive and struct…
Simplicial neural networks (SNNs) have recently emerged as a new direction in graph learning which expands the idea of convolutional architectures from node space to simplicial complexes on graphs. Instead of predominantly assessing pairwise relations among nodes as in the current practice, simplici…
Graph Neural Networks (GNNs) are proven to be a powerful machinery for learning complex dependencies in multivariate spatio-temporal processes. However, most existing GNNs have inherently static architectures, and as a result, do not explicitly account for time dependencies of the encoded knowledge…
Graph neural networks (GNNs) offer a new powerful alternative for multivariate time series forecasting, demonstrating remarkable success in a variety of spatio-temporal applications, from urban flow monitoring systems to health care informatics to financial analytics. Yet, such GNN models pre-domina…
In computer-aided drug discovery (CADD), virtual screening (VS) is used for comparing a library of compounds against known active ligands to identify the drug candidates that are most likely to bind to a molecular target. Most VS methods to date have focused on using canonical compound representatio…
Graph neural networks (GNNs) have emerged as a powerful tool for graph classification and representation learning. However, GNNs tend to suffer from over-smoothing problems and are vulnerable to graph perturbations. To address these challenges, we propose a novel topological neural framework of topo…
There recently has been a surge of interest in developing a new class of deep learning (DL) architectures that integrate an explicit time dimension as a fundamental building block of learning and representation mechanisms. In turn, many recent results show that topological descriptors of the observe…