skip to main content

Search for: All records

Creators/Authors contains: "You, J."

Note: When clicking on a Digital Object Identifier (DOI) number, you will be taken to an external site maintained by the publisher. Some full text articles may not yet be available without a charge during the embargo (administrative interval).
What is a DOI Number?

Some links on this page may take you to non-federal websites. Their policies may differ from this site.

  1. Graph Neural Networks (GNNs) are based on repeated aggregations of information from nodes’ neighbors in a graph. However, because nodes share many neighbors, a naive implementation leads to repeated and inefficient aggregations and represents significant computational overhead. Here we propose Hierarchically Aggregated computation Graphs (HAGs), a new GNN representation technique that explicitly avoids redundancy by managing intermediate aggregation results hierarchically and eliminates repeated computations and unnecessary data transfers in GNN training and inference. HAGs perform the same computations and give the same models/accuracy as traditional GNNs, but in a much shorter time due to optimized computations. To identify redundant computations,more »we introduce an accurate cost function and use a novel search algorithm to find optimized HAGs. Experiments show that the HAG representation significantly outperforms the standard GNN by increasing the end-to-end training throughput by up to 2.8× and reducing the aggregations and data transfers in GNN training by up to 6.3× and 5.6×, with only 0.1% memory overhead. Overall, our results represent an important advancement in speeding-up and scaling-up GNNs without any loss in model predictive performance.« less
  2. Neural networks are often represented as graphs of connections between neurons. However, despite their wide use, there is currently little understanding of the relationship between the graph structure of the neural network and its predictive performance. Here we systematically investigate how does the graph structure of neural networks affect their predictive performance. To this end, we develop a novel graph-based representation of neural networks called relational graph, where layers of neural network computation correspond to rounds of message exchange along the graph structure. Using this representation we show that: (1) a “sweet spot” of relational graphs leads to neural networksmore »with significantly improved predictive performance; (2) neural network’s performance is approximately a smooth function of the clustering coefficient and average path length of its relational graph; (3) our findings are consistent across many different tasks and datasets; (4) the sweet spot can be identified efficiently; (5) topperforming neural networks have graph structure surprisingly similar to those of real biological neural networks. Our work opens new directions for the design of neural architectures and the understanding on neural networks in general.« less
  3. The Boolean Satisfiability (SAT) problem is the canonical NP-complete problem and is fundamental to computer science, with a wide array of applications in planning, verification, and theorem proving. Developing and evaluating practical SAT solvers relies on extensive empirical testing on a set of real-world benchmark formulas. However, the availability of such real-world SAT formulas is limited. While these benchmark formulas can be augmented with synthetically generated ones, existing approaches for doing so are heavily hand-crafted and fail to simultaneously capture a wide range of characteristics exhibited by real-world SAT instances. In this work, we present G2SAT, the first deep generativemore »framework that learns to generate SAT formulas from a given set of input formulas. Our key insight is that SAT formulas can be transformed into latent bipartite graph representations which we model using a specialized deep generative neural network. We show that G2SAT can generate SAT formulas that closely resemble given real-world SAT instances, as measured by both graph metrics and SAT solver behavior. Further, we show that our synthetic SAT formulas could be used to improve SAT solver performance on real-world benchmarks, which opens up new opportunities for the continued development of SAT solvers and a deeper understanding of their performance.« less
  4. Graph Neural Networks (GNNs) are a powerful tool for machine learning on graphs. GNNs combine node feature information with the graph structure by recursively passing neural messages along edges of the input graph. However, incorporating both graph structure and feature information leads to complex models and explaining predictions made by GNNs remains unsolved. Here we propose GNNEXPLAINER, the first general, model-agnostic approach for providing interpretable explanations for predictions of any GNN-based model on any graph-based machine learning task. Given an instance, GNNEXPLAINER identifies a compact subgraph structure and a small subset of node features that have a crucial role inmore »GNN’s prediction. Further, GNNEXPLAINER can generate consistent and concise explanations for an entire class of instances. We formulate GNNEXPLAINER as an optimization task that maximizes the mutual information between a GNN’s prediction and distribution of possible subgraph structures. Experiments on synthetic and real-world graphs show that our approach can identify important graph structures as well as node features, and outperforms alternative baseline approaches by up to 43.0% in explanation accuracy. GNNEXPLAINER provides a variety of benefits, from the ability to visualize semantically relevant structures to interpretability, to giving insights into errors of faulty GNNs.« less