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1. Cluster sampling for Morris method made easy

   https://doi.org/10.1002/nav.21968  

   Shi, Wen; Chen, Xi (December 2020, Naval Research Logistics (NRL))

   Abstract In this paper we provide a thorough investigation of the cluster sampling scheme for Morris' elementary effects method (MM), a popular model‐free factor screening method originated in the setting of design and analysis of computational experiments. We first study the sampling mechanism underpinning the two sampling schemes of MM (i.e., cluster sampling and noncluster sampling) and unveil its nature as a two‐level nested sampling process. This in‐depth understanding sets up a foundation for tackling two important aspects of cluster sampling: budget allocation and sampling plan. On the one hand, we study the budget allocation problem for cluster sampling under the analysis of variance framework and derive optimal budget allocations for efficient estimation of the importance measures. On the other hand, we devise an efficient cluster sampling algorithm with two variants to achieve enhanced statistical properties. The numerical evaluations demonstrate the superiority of the proposed cluster sampling algorithm and the budget allocations derived (when used both separately and in conjunction) to existing cluster and noncluster sampling schemes. 

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2. Ensemble Adaptive Sampling Scheme: Identifying an Optimal Sampling Strategy via Policy Ranking

   https://doi.org/10.1021/acs.jctc.4c01488  

   Nadeem, Hassan; Shukla, Diwakar (April 2025, Journal of Chemical Theory and Computation)

   Efficient sampling in biomolecular simulations is critical for accurately capturing the complex dynamic behaviors of biological systems. Adaptive sampling techniques aim to improve efficiency by focusing computational resources on the most relevant regions of the phase space. In this work, we present a framework for identifying the optimal sampling policy through metric-driven ranking. Our approach systematically evaluates the policy ensemble and ranks the policies based on their ability to explore the conformational space effectively. Through a series of biomolecular simulation case studies, we demonstrate that the choice of a different adaptive sampling policy at each round significantly outperforms single policy sampling, leading to faster convergence and improved sampling performance. This approach takes an ensemble of adaptive sampling policies and identifies the optimal policy for the next round based on current data. Beyond presenting this ensemble view of adaptive sampling, we also propose two sampling algorithms that approximate this ranking framework on the fly. The modularity of this framework allows incorporation of any adaptive sampling policy, making it versatile and suitable as a comprehensive adaptive sampling scheme. 

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3. Ecological prediction at macroscales using big data: Does sampling design matter?

   https://doi.org/10.1002/eap.2123  

   Soranno, Patricia A.; Cheruvelil, Kendra Spence; Liu, Boyang; Wang, Qi; Tan, Pang‐Ning; Zhou, Jiayu; King, Katelyn B. S.; McCullough, Ian M.; Stachelek, Jemma; Bartley, Meridith; et al (April 2020, Ecological Applications)

   Abstract Although ecosystems respond to global change at regional to continental scales (i.e., macroscales), model predictions of ecosystem responses often rely on data from targeted monitoring of a small proportion of sampled ecosystems within a particular geographic area. In this study, we examined how the sampling strategy used to collect data for such models influences predictive performance. We subsampled a large and spatially extensive data set to investigate how macroscale sampling strategy affects prediction of ecosystem characteristics in 6,784 lakes across a 1.8‐million‐km²area. We estimated model predictive performance for different subsets of the data set to mimic three common sampling strategies for collecting observations of ecosystem characteristics: random sampling design, stratified random sampling design, and targeted sampling. We found that sampling strategy influenced model predictive performance such that (1) stratified random sampling designs did not improve predictive performance compared to simple random sampling designs and (2) although one of the scenarios that mimicked targeted (non‐random) sampling had the poorest performing predictive models, the other targeted sampling scenarios resulted in models with similar predictive performance to that of the random sampling scenarios. Our results suggest that although potential biases in data sets from some forms of targeted sampling may limit predictive performance, compiling existing spatially extensive data sets can result in models with good predictive performance that may inform a wide range of science questions and policy goals related to global change. 

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4. Rethinking Sampling in 3D Point Cloud Generative Adversarial Networks

   Wang, He; Jiang, Zetian; Yi, Li; Mo, Kaichun; Su, Hao; Guibas, Leonidas (January 2021, Proceedings of the IEEE/CVF Conference on Computer Vision and Pattern Recognition Workshop)

   null (Ed.)

   In this paper, we examine the long-neglected yet important effects of point sampling patterns in point cloud GANs. Through extensive experiments, we show that sampling-insensitive discriminators (e.g.PointNet-Max) produce shape point clouds with point clustering artifacts while sampling-oversensitive discriminators (e.g. PointNet++, DGCNN) fail to guide valid shape generation. We propose the concept of sampling spectrum to depict the different sampling sensitivities of discriminators. We further study how different evaluation metrics weigh the sampling pattern against the geometry and propose several perceptual metrics forming a sampling spectrum of metrics. Guided by the proposed sampling spectrum, we discover a middle-point sampling-aware baseline discriminator, PointNet-Mix, which improves all existing point cloud generators by a large margin on sampling-related metrics. We point out that, though recent research has been focused on the generator design, the main bottleneck of point cloud GAN actually lies in the discriminator design. Our work provides both suggestions and tools for building future discriminators. We will release the code to facilitate future research. 

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5. A Poincare Inequality and Consistency Results for Signal Sampling on Large Graphs

   Le, T; Ruiz, Luana; Jegelka, Stefanie (May 2024, International Conference on Learning Representations (ICLR))

   Large-scale graph machine learning is challenging as the complexity of learning models scales with the graph size. Subsampling the graph is a viable alternative, but sampling on graphs is nontrivial as graphs are non-Euclidean. Existing graph sampling techniques require not only computing the spectra of large matrices but also repeating these computations when the graph changes, e.g., grows. In this pa- per, we introduce a signal sampling theory for a type of graph limit—the graphon. We prove a Poincare ́ inequality for graphon signals and show that complements of node subsets satisfying this inequality are unique sampling sets for Paley-Wiener spaces of graphon signals. Exploiting connections with spectral clustering and Gaussian elimination, we prove that such sampling sets are consistent in the sense that unique sampling sets on a convergent graph sequence converge to unique sampling sets on the graphon. We then propose a related graphon signal sampling algorithm for large graphs, and demonstrate its good empirical performance on graph machine learning tasks. 

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