Papers › Diversity By Design: Leveraging Distribution Matching for Offline Model-Based Optimization

Diversity By Design: Leveraging Distribution Matching for Offline Model-Based Optimization

30 Jan 2025arXiv:2501.18768archive 2025-07-28

Michael S. Yao, James C. Gee, Osbert Bastani

The goal of offline model-based optimization (MBO) is to propose new designs that maximize a reward function given only an offline dataset. However, an important desiderata is to also propose a diverse set of final candidates that capture many optimal and near-optimal design configurations. We propose Diversity in Adversarial Model-based Optimization (DynAMO) as a novel method to introduce design diversity as an explicit objective into any MBO problem. Our key insight is to formulate diversity as a distribution matching problem where the distribution of generated designs captures the inherent diversity contained within the offline dataset. Extensive experiments spanning multiple scientific domains show that DynAMO can be used with common optimization methods to significantly improve the diversity of proposed designs while still discovering high-quality candidates.

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Block michael-s-yao/dynamo/src/dynamo/core/dynamo_core.py official repository ran · our draft was wrong MIT (permissive) · e4406eb4baa4714c · report
ChiSquaredDivergence michael-s-yao/dynamo/src/dynamo/core/dynamo_core.py official repository ran fingerprinted MIT (permissive) · d1255c8fb305656b · report
ExplicitDual michael-s-yao/dynamo/src/dynamo/core/dynamo_core.py official repository ran · metamorphic tier: deterministic MIT (permissive) · 7632ca2f6cf1912a · report
KLDivergence michael-s-yao/dynamo/src/dynamo/core/dynamo_core.py official repository ran fingerprinted MIT (permissive) · 63f00db0e149f4c5 · report
LipschitzMLP michael-s-yao/dynamo/src/dynamo/core/dynamo_core.py official repository ran · metamorphic tier: deterministic MIT (permissive) · 769422c22dc3b331 · report
MLP michael-s-yao/dynamo/src/dynamo/core/dynamo_core.py official repository ran · metamorphic tier: deterministic MIT (permissive) · c8ccd1e95b3b0e9e · report
WeightClipper michael-s-yao/dynamo/src/dynamo/core/dynamo_core.py official repository ran MIT (permissive) · 4979360ca16b0c41 · report
p_tau_ref michael-s-yao/dynamo/src/dynamo/core/dynamo_core.py official repository ran · our draft was wrong fingerprinted MIT (permissive) · 4cd0a1c671b18f40 · report
BaseObjectiveTransform michael-s-yao/dynamo/src/dynamo/core/dynamo_core.py official repository unverified MIT (permissive) · 8b5b1f068b37bf73 · report
DynAMOTransform michael-s-yao/dynamo/src/dynamo/core/dynamo_core.py official repository unverified MIT (permissive) · 900e52699371fdff · report
Block michael-s-yao/gabo/models/block.py found in paper text by Syntology unverified MIT (permissive) · d88a745600330ee8 · report
get_device michael-s-yao/gabo/helpers.py found in paper text by Syntology unverified MIT (permissive) · cc92ee68372fadb6 · report

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