NTU Graph Deep Learning Lab

We investigate fundamental techniques in Graph Deep Learning, a new framework that combines graph theory and deep neural networks to tackle complex data domains in physical science, natural language processing, computer vision, and combinatorial optimization.




Benchmarking Graph Neural Networks

Identify universal building blocks for robust and scalable GNNs.

Free-hand Sketches

Representation learning for drawings via graphs with geometric and temporal information.

Combinatorial Optimization

Scalable deep learning systems for practical NP-Hard combinatorial problems such as the TSP.

Quantum Chemistry

Chemical synthesis, structure and property prediction using deep neural networks.

Spatial Graph ConvNets

Graph Neural Network architectures for inductive representation learning on arbitrary graphs.

Recent Publications

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Learning TSP Requires Rethinking Generalization

End-to-end training of neural network solvers for combinatorial problems such as the Travelling Salesman Problem is intractable and …

Benchmarking Graph Neural Networks

Graph neural networks (GNNs) have become the standard toolkit for analyzing and learning from data on graphs. As the field grows, it …

Multi-Graph Transformer for Free-Hand Sketch Recognition

Learning meaningful representations of free-hand sketches remains a challenging task given the signal sparsity and the high-level …

A Two-Step Graph Convolutional Decoder for Molecule Generation

We propose a simple auto-encoder framework for molecule generation. The molecular graph is first encoded into a continuous latent …

On Learning Paradigms for the Travelling Salesman Problem

We explore the impact of learning paradigms on training deep neural networks for the Travelling Salesman Problem. We design controlled …

Recent Blogposts

Benchmarking Graph Neural Networks

This blog is based on the paper Benchmarking Graph Neural Networks which is a joint work with Chaitanya K. Joshi, Thomas Laurent, …

Transformers are Graph Neural Networks

Engineer friends often ask me: Graph Deep Learning sounds great, but are there any big commercial success stories? Is it being deployed …

Recent Talks

Graph Neural Networks for the Travelling Salesman Problem

The most famous NP-hard combinatorial problem today, the Travelling Salesman Problem, is intractable to solve optimally at large scale. …

Graph Convolutional Neural Networks for Molecule Generation

In this talk, I will discuss a graph convolutional neural network architecture for the molecule generation task. The proposed approach …

Graph Convolutional Neural Networks for Molecule Generation and Travelling Salesman Problem

In this talk, I will discuss how to apply graph convolutional neural networks to quantum chemistry and operational research. The same …


Principal Investigator


Xavier Bresson

Assoc. Professor of Computer Science

PhD Students


Vijay Prakash Dwivedi

PhD Student


David Low Jia Wei

PhD Student

Postdoctoral Scholars


Peng Xu

Postdoctoral Scholar

Research Assistants


Chaitanya Joshi

Research Assistant


Victor Getty

Research Assistant



Axel Nilsson

Visiting Student