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Future networks, such as 6G, will need to support a vast and diverse range of interconnected devices and applications, each with its own set of requirements. While traditional network management approaches will suffice, an automated…

We present GPS++, a hybrid Message Passing Neural Network / Graph Transformer model for molecular property prediction. Our model integrates a well-tuned local message passing component and biased global attention with other key ideas from…

Recently, transformer architectures for graphs emerged as an alternative to established techniques for machine learning with graphs, such as (message-passing) graph neural networks. So far, they have shown promising empirical results, e.g.,…

We present a novel graph Transformer generative adversarial network (GTGAN) to learn effective graph node relations in an end-to-end fashion for the challenging graph-constrained house generation task. The proposed graph-Transformer-based…

Neural Networks (GNNs) have revolutionized the molecular discovery to understand patterns and identify unknown features that can aid in predicting biophysical properties and protein-ligand interactions. However, current models typically…

Reconstructing physically plausible 3D human-scene interactions (HSI) from a single image currently presents a trade-off: optimization based methods offer accurate contact but are slow (~20s), while feed-forward approaches are fast yet lack…

Real-world graphs naturally exhibit hierarchical or cyclical structures that are unfit for the typical Euclidean space. While there exist graph neural networks that leverage hyperbolic or spherical spaces to learn representations that embed…

Graph Transformer (GT), as a special type of Graph Neural Networks (GNNs), utilizes multi-head attention to facilitate high-order message passing. However, this also imposes several limitations in node classification applications: 1) nodes…

Graph neural networks (GNNs) have received massive attention in the field of machine learning on graphs. Inspired by the success of neural networks, a line of research has been conducted to train GNNs to deal with various tasks, such as…

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…

In heterogeneous graphs, we can observe complex structures such as tree-like or hierarchical structures. Recently, the hyperbolic space has been widely adopted in many studies to effectively learn these complex structures. Although these…

Transformers have become methods of choice in many applications thanks to their ability to represent complex interactions between elements. However, extending the Transformer architecture to non-sequential data such as molecules and…

Temporal Graph Learning (TGL) has become a robust framework for discovering patterns in dynamic networks and predicting future interactions. While existing research has largely concentrated on learning from individual networks, this study…

3D multi-object tracking (MOT) and trajectory forecasting are two critical components in modern 3D perception systems. We hypothesize that it is beneficial to unify both tasks under one framework to learn a shared feature representation of…

We present GTT-Net, a supervised learning framework for the reconstruction of sparse dynamic 3D geometry. We build on a graph-theoretic formulation of the generalized trajectory triangulation problem, where non-concurrent multi-view imaging…

While it is crucial to capture global information for effective image restoration (IR), integrating such cues into transformer-based methods becomes computationally expensive, especially with high input resolution. Furthermore, the…

Pretraining plays a pivotal role in acquiring generalized knowledge from large-scale data, achieving remarkable successes as evidenced by large models in CV and NLP. However, progress in the graph domain remains limited due to fundamental…

Initially introduced as a machine translation model, the Transformer architecture has now become the foundation for modern deep learning architecture, with applications in a wide range of fields, from computer vision to natural language…

Dynamic graph learning plays a pivotal role in modeling evolving relationships over time, especially for temporal link prediction tasks in domains such as traffic systems, social networks, and recommendation platforms. While…

Porous materials exhibit vast structural diversity and support critical applications in gas storage, separations, and catalysis. However, predictive modeling remains challenging due to the multiscale nature of structure-property…