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3 months ago

Oblique Decision Trees from Derivatives of ReLU Networks

Guang-He Lee Tommi S. Jaakkola

Oblique Decision Trees from Derivatives of ReLU Networks

Abstract

We show how neural models can be used to realize piece-wise constant functions such as decision trees. The proposed architecture, which we call locally constant networks, builds on ReLU networks that are piece-wise linear and hence their associated gradients with respect to the inputs are locally constant. We formally establish the equivalence between the classes of locally constant networks and decision trees. Moreover, we highlight several advantageous properties of locally constant networks, including how they realize decision trees with parameter sharing across branching / leaves. Indeed, only $M$ neurons suffice to implicitly model an oblique decision tree with $2^M$ leaf nodes. The neural representation also enables us to adopt many tools developed for deep networks (e.g., DropConnect (Wan et al., 2013)) while implicitly training decision trees. We demonstrate that our method outperforms alternative techniques for training oblique decision trees in the context of molecular property classification and regression tasks.

Code Repositories

guanghelee/iclr20-lcn
Official
pytorch

Benchmarks

BenchmarkMethodologyMetrics
drug-discovery-on-baceEnsemble locally constant network
AUC: 0.874
drug-discovery-on-pdbbindEnsemble locally constant networks
RMSE: 1.219
drug-discovery-on-siderEnsemble locally constant networks
AUC: 0.685

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Oblique Decision Trees from Derivatives of ReLU Networks | Papers | HyperAI