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Graph-based representations for samples of computational mechanics-related datasets can prove instrumental when dealing with problems like irregular domains or molecular structures of materials, etc. To effectively analyze and process such…
A central question in neuroscience is how self-organizing dynamic interactions in the brain emerge on their relatively static structural backbone. Due to the complexity of spatial and temporal dependencies between different brain areas,…
In this work, we introduce a hypergraph representation learning framework called Hypergraph Neural Networks (HNN) that jointly learns hyperedge embeddings along with a set of hyperedge-dependent embeddings for each node in the hypergraph.…
An important challenge in robotics is understanding the interactions between robots and deformable terrains that consist of granular material. Granular flows and their interactions with rigid bodies still pose several open questions. A…
Graph neural networks (GNNs) are widely used as surrogates for costly experiments and first-principles simulations to study the behavior of compounds at atomistic scale, and their architectural complexity is constantly increasing to enable…
This study aims to predict the spatio-temporal evolution of physical quantities observed in multi-layered display panels subjected to the drop impact of a ball. To model these complex interactions, graph neural networks have emerged as…
Recently, Vision Graph Neural Network (ViG) has gained considerable attention in computer vision. Despite its groundbreaking innovation, Vision Graph Neural Network encounters key issues including the quadratic computational complexity…
Dynamic graph learning (DGL) aims to learn informative and temporally-evolving node embeddings to support downstream tasks such as link prediction. A fundamental challenge in DGL lies in effectively modeling both the temporal dynamics and…
Natural physical, chemical, and biological dynamical systems are often complex, with heterogeneous components interacting in diverse ways. We show how simple graph neural networks can be designed to jointly learn the interaction rules and…
The real-world networks often compose of different types of nodes and edges with rich semantics, widely known as heterogeneous information network (HIN). Heterogeneous network embedding aims to embed nodes into low-dimensional vectors which…
Generating informative scene graphs from images requires integrating and reasoning from various graph components, i.e., objects and relationships. However, current scene graph generation (SGG) methods, including the unbiased SGG methods,…
We propose Gradient Informed Neural Networks (GradINNs), a methodology inspired by Physics Informed Neural Networks (PINNs) that can be used to efficiently approximate a wide range of physical systems for which the underlying governing…
We introduce a novel masked pre-training technique for graph neural networks (GNNs) applied to computational fluid dynamics (CFD) problems. By randomly masking up to 40\% of input mesh nodes during pre-training, we force the model to learn…
Cosmological field-level inference requires differentiable forward models that solve the challenging dynamics of gas and dark matter under hydrodynamics and gravity. We propose a hybrid approach where gravitational forces are computed using…
Elucidating the intricate relationship between the structure and dynamics in the context of the glass transition has been a persistent challenge. Machine learning (ML) has emerged as a pivotal tool, offering novel pathways to predict…
Graph Neural Networks (GNNs) excel in node classification tasks but often assume homophily, where connected nodes share similar labels. This assumption does not hold in many real-world heterophilic graphs. Existing models for heterophilic…
Robustness in complex systems is of significant engineering and economic importance. However, conventional attack-based a posteriori robustness assessments incur prohibitive computational overhead. Recently, deep learning methods, such as…
Nowadays, it is broadly recognized in the power system community that to meet the ever expanding energy sector's needs, it is no longer possible to rely solely on physics-based models and that reliable, timely and sustainable operation of…
The transformative impact of machine learning, particularly Deep Learning (DL), on scientific and engineering domains is evident. In the context of computational fluid dynamics (CFD), Physics-Informed Neural Networks (PINNs) represent a…
Blending green hydrogen into natural gas presents a promising approach for renewable energy integration and fuel decarbonization. Accurate estimation of hydrogen fraction in hydrogen-enriched natural gas (HENG) pipeline networks is crucial…