Efficient Automatic Machine Learning via Design Graphs
Shirley Wu, Jiaxuan You, Jure Leskovec, Rex Ying

TL;DR
FALCON introduces a graph-based AutoML approach that efficiently predicts optimal model designs using minimal exploration, combining task-agnostic and task-specific modules to outperform baselines with less computation.
Contribution
The paper presents FALCON, a novel AutoML method that models the design space as a graph and uses GNNs and label propagation to efficiently find high-performing models.
Findings
FALCON achieves comparable time cost to one-shot methods.
FALCON improves performance by an average of 3.3% over baselines.
FALCON requires only 30 explored nodes to find good designs.
Abstract
Despite the success of automated machine learning (AutoML), which aims to find the best design, including the architecture of deep networks and hyper-parameters, conventional AutoML methods are computationally expensive and hardly provide insights into the relations of different model design choices. To tackle the challenges, we propose FALCON, an efficient sample-based method to search for the optimal model design. Our key insight is to model the design space of possible model designs as a design graph, where the nodes represent design choices, and the edges denote design similarities. FALCON features 1) a task-agnostic module, which performs message passing on the design graph via a Graph Neural Network (GNN), and 2) a task-specific module, which conducts label propagation of the known model performance information on the design graph. Both modules are combined to predict the design…
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Taxonomy
TopicsMachine Learning and Data Classification · Machine Learning in Materials Science · Computational Drug Discovery Methods
MethodsGraph Neural Network
