response surface
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Sparse Deep Additive Model with Interactions: Enhancing Interpretability and Predictability
Hung, Yi-Ting, Lin, Li-Hsiang, Calhoun, Vince D.
Recent advances in deep learning highlight the need for personalized models that can learn from small or moderate samples, handle high dimensional features, and remain interpretable. To address this challenge, we propose the Sparse Deep Additive Model with Interactions (SDAMI), a framework that combines sparsity driven feature selection with deep subnetworks for flexible function approximation. Unlike conventional deep learning models, which often function as black boxes, SDAMI explicitly disentangles main effects and interaction effects to enhance interpretability. At the same time, its deep additive structure achieves higher predictive accuracy than classical additive models. Central to SDAMI is the concept of an Effect Footprint, which assumes that higher order interactions project marginally onto main effects. Guided by this principle, SDAMI adopts a two stage strategy: first, identify strong main effects that implicitly carry information about important interactions. second, exploit this information through structured regularization such as group lasso to distinguish genuine main effects from interaction effects. For each selected main effect, SDAMI constructs a dedicated subnetwork, enabling nonlinear function approximation while preserving interpretability and providing a structured foundation for modeling interactions. Extensive simulations with comparisons confirm SDAMI$'$s ability to recover effect structures across diverse scenarios, while applications in reliability analysis, neuroscience, and medical diagnostics further demonstrate its versatility in addressing real-world high-dimensional modeling challenges.
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On Inductive Biases for Heterogeneous Treatment Effect Estimation Appendix
Here, we present a detailed overview of existing model-agnostic "meta-learner" strategies for CA TE Unfortunately, good performance on estimation of the POs is not sufficient. Note that, as we discuss in section C.2, we fixed all hyperparameters throughout all experiments as tuning Input: Testing data X Trained FlexTENet flex for i 1: flex.n_layers We retrieve the data from https://jenniferhill7.wixsite.com/acic-2016/competition "D" we change only the response surface of the treated to As stated in the main text, we fixed equivalent hyperparameters across all methods within any experiments to not conflate hyperparameter tuning with the value of the different strategies. B (D.3), present additional results on PO estimation (D.4), and then move to analyzing the learned We also consider the effect of using our approaches as first-stage (nuisance) estimators for two-step learners (D.6).
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The use of cross validation in the analysis of designed experiments
Weese, Maria L., Smucker, Byran J., Edwards, David J.
Cross-validation (CV) is a common method to tune machine learning methods and can be used for model selection in regression as well. Because of the structured nature of small, traditional experimental designs, the literature has warned against using CV in their analysis. The striking increase in the use of machine learning, and thus CV, in the analysis of experimental designs, has led us to empirically study the effectiveness of CV compared to other methods of selecting models in designed experiments, including the little bootstrap. We consider both response surface settings where prediction is of primary interest, as well as screening where factor selection is most important. Overall, we provide evidence that the use of leave-one-out cross-validation (LOOCV) in the analysis of small, structured is often useful. More general $k$-fold CV may also be competitive but its performance is uneven.
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Multi-Objective Optimization and Hyperparameter Tuning With Desirability Functions
The goal of this article is to provide an introduction to the desirability function approach to multi-objective optimization (direct and surrogate model-based), and multi-objective hyperparameter tuning. This work is based on the paper by Kuhn (2016). It presents a `Python` implementation of Kuhn's `R` package `desirability`. The `Python` package `spotdesirability` is available as part of the `sequential parameter optimization` framework. After a brief introduction to the desirability function approach is presented, three examples are given that demonstrate how to use the desirability functions for classical optimization, surrogate-model based optimization, and hyperparameter tuning.
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Black Box Causal Inference: Effect Estimation via Meta Prediction
Bynum, Lucius E. J., Puli, Aahlad Manas, Herrero-Quevedo, Diego, Nguyen, Nhi, Fernandez-Granda, Carlos, Cho, Kyunghyun, Ranganath, Rajesh
Causal inference and the estimation of causal effects plays a central role in decision-making across many areas, including healthcare and economics. Estimating causal effects typically requires an estimator that is tailored to each problem of interest. But developing estimators can take significant effort for even a single causal inference setting. For example, algorithms for regression-based estimators, propensity score methods, and doubly robust methods were designed across several decades to handle causal estimation with observed confounders. Similarly, several estimators have been developed to exploit instrumental variables (IVs), including two-stage least-squares (TSLS), control functions, and the method-of-moments. In this work, we instead frame causal inference as a dataset-level prediction problem, offloading algorithm design to the learning process. The approach we introduce, called black box causal inference (BBCI), builds estimators in a black-box manner by learning to predict causal effects from sampled dataset-effect pairs. We demonstrate accurate estimation of average treatment effects (ATEs) and conditional average treatment effects (CATEs) with BBCI across several causal inference problems with known identification, including problems with less developed estimators.
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OptMetaOpenFOAM: Large Language Model Driven Chain of Thought for Sensitivity Analysis and Parameter Optimization based on CFD
Chen, Yuxuan, Zhang, Long, Zhu, Xu, Zhou, Hua, Ren, Zhuyin
Merging natural language interfaces with computational fluid dynamics (CFD) workflows presents transformative opportunities for both industry and research. In this study, we introduce OptMetaOpenFOAM - a novel framework that bridges MetaOpenFOAM with external analysis and optimization tool libraries through a large language model (LLM)-driven chain-of-thought (COT) methodology. By automating complex CFD tasks via natural language inputs, the framework empowers non-expert users to perform sensitivity analyses and parameter optimizations with markedly improved efficiency. The test dataset comprises 11 distinct CFD analysis or optimization tasks, including a baseline simulation task derived from an OpenFOAM tutorial covering fluid dynamics, combustion, and heat transfer. Results confirm that OptMetaOpenFOAM can accurately interpret user requirements expressed in natural language and effectively invoke external tool libraries alongside MetaOpenFOAM to complete the tasks. Furthermore, validation on a non-OpenFOAM tutorial case - namely, a hydrogen combustion chamber - demonstrates that a mere 200-character natural language input can trigger a sequence of simulation, postprocessing, analysis, and optimization tasks spanning over 2,000 lines of code. These findings underscore the transformative potential of LLM-driven COT methodologies in linking external tool for advanced analysis and optimization, positioning OptMetaOpenFOAM as an effective tool that streamlines CFD simulations and enhances their convenience and efficiency for both industrial and research applications. Code is available at https://github.com/Terry-cyx/MetaOpenFOAM.