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Yunchao Liu

3 accepted papers

2024

A Topological Perspective on Demystifying GNN-Based Link Prediction Performance

ICLR 2024poster

Graph Neural Networks (GNNs) have shown great promise in learning node embeddings for link prediction (LP). While numerous studies improve the overall GNNs' LP performance, none have explored their varying performance across different nodes and the underlying reasons. To this end, we demystify which…

2024

WelQrate: Defining the Gold Standard in Small Molecule Drug Discovery Benchmarking

NeurIPS 2024poster

While deep learning has revolutionized computer-aided drug discovery, the AI community has predominantly focused on model innovation and placed less emphasis on establishing best benchmarking practices. We posit that without a sound model evaluation framework, the AI community's efforts cannot reac…

Cited by 0SourcePDFScholar
2019

Learning to Describe Scenes with Programs

ICLR 2019poster

Human scene perception goes beyond recognizing a collection of objects and their pairwise relations. We understand higher-level, abstract regularities within the scene such as symmetry and repetition. Current vision recognition modules and scene representations fall short in this dimension. In this…

Cited by 64SourcePDFScholar