Enhanced Data-Driven Product Development via Gradient Based Optimization and Conformalized Monte Carlo Dropout Uncertainty Estimation
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Abstract (arXiv)
Data-Driven Product Development (DDPD) leverages data to learn the relationship between product design specifications and resulting properties. To discover improved designs, we train a neural network on past experiments and apply Projected Gradient Descent to identify optimal input features that maximize performance. Since many products require simultaneous optimization of multiple correlated properties, our framework employs joint neural networks to capture interdependencies among targets. Furthermore, we integrate uncertainty estimation via Conformalised Monte Carlo Dropout (ConfMC), a novel method combining Nested Conformal Prediction with Monte Carlo dropout to provide model-agnostic, finite-sample coverage guarantees under data exchangeability. Extensive experiments on five real-world datasets show that our method matches state-of-the-art performance while offering adaptive, non-uniform prediction intervals and eliminating the need for retraining when adjusting coverage levels.
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References · 15
- 2015Dropout as a Bayesian Approximation: Representing Model Uncertainty in Deep Learningcited by 4,416
- 2016Simple and Scalable Predictive Uncertainty Estimation using Deep Ensemblescited by 3,888
- 2016An overview of gradient descent optimization algorithmscited by 1,021
- 2021A Gentle Introduction to Conformal Prediction and Distribution-Free Uncertainty Quantificationcited by 777
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- 2019NGBoost: Natural Gradient Boosting for Probabilistic Predictioncited by 94
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- 2021A survey on high-dimensional Gaussian process modeling with application to Bayesian optimizationcited by 76
- 2022Conformal Prediction Under Feedback Covariate Shift for Biomolecular Designcited by 53
- 2020Exchangeability, Conformal Prediction, and Rank Testscited by 40
- 2017Generating and designing DNA with deep generative modelscited by 30
- 2023Unifying the design space and optimizing linear and nonlinear truss metamaterials by generative modelingcited by 21
3 more
- 2025Causally Reliable Concept Bottleneck Modelscited by 17
- 2023Quantifying Deep Learning Model Uncertainty in Conformal Predictioncited by 13
- 2025Focus on Likely Classes for Test-Time Predictioncited by 1
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