Graph-Conditioned MLP for High-Dimensional Tabular Biomedical Data

11/11/2022
by   Andrei Margeloiu, et al.
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Genome-wide studies leveraging recent high-throughput sequencing technologies collect high-dimensional data. However, they usually include small cohorts of patients, and the resulting tabular datasets suffer from the "curse of dimensionality". Training neural networks on such datasets is typically unstable, and the models overfit. One problem is that modern weight initialisation strategies make simplistic assumptions unsuitable for small-size datasets. We propose Graph-Conditioned MLP, a novel method to introduce priors on the parameters of an MLP. Instead of randomly initialising the first layer, we condition it directly on the training data. More specifically, we create a graph for each feature in the dataset (e.g., a gene), where each node represents a sample from the same dataset (e.g., a patient). We then use Graph Neural Networks (GNNs) to learn embeddings from these graphs and use the embeddings to initialise the MLP's parameters. Our approach opens the prospect of introducing additional biological knowledge when constructing the graphs. We present early results on 7 classification tasks from gene expression data and show that GC-MLP outperforms an MLP.

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