criterion
A Bayesian Updating Framework for Long-term Multi-Environment Trial Data in Plant Breeding
Bark, Stephan, Malik, Waqas Ahmed, Prus, Maryna, Piepho, Hans-Peter, Schmid, Volker
In variety testing, multi-environment trials (MET) are essential for evaluating the genotypic performance of crop plants. A persistent challenge in the statistical analysis of MET data is the estimation of variance components, which are often still inaccurately estimated or shrunk to exactly zero when using residual (restricted) maximum likelihood (REML) approaches. At the same time, institutions conducting MET typically possess extensive historical data that can, in principle, be leveraged to improve variance component estimation. However, these data are rarely incorporated sufficiently. The purpose of this paper is to address this gap by proposing a Bayesian framework that systematically integrates historical information to stabilize variance component estimation and better quantify uncertainty. Our Bayesian linear mixed model (BLMM) reformulation uses priors and Markov chain Monte Carlo (MCMC) methods to maintain the variance components as positive, yielding more realistic distributional estimates. Furthermore, our model incorporates historical prior information by managing MET data in successive historical data windows. Variance component prior and posterior distributions are shown to be conjugate and belong to the inverse gamma and inverse Wishart families. While Bayesian methodology is increasingly being used for analyzing MET data, to the best of our knowledge, this study comprises one of the first serious attempts to objectively inform priors in the context of MET data. This refers to the proposed Bayesian updating approach. To demonstrate the framework, we consider an application where posterior variance component samples are plugged into an A-optimality experimental design criterion to determine the average optimal allocations of trials to agro-ecological zones in a sub-divided target population of environments (TPE).
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- Europe > Netherlands (0.04)
- Information Technology > Artificial Intelligence > Representation & Reasoning > Uncertainty > Bayesian Inference (1.00)
- Information Technology > Artificial Intelligence > Machine Learning > Statistical Learning (1.00)
- Information Technology > Artificial Intelligence > Machine Learning > Learning Graphical Models > Directed Networks > Bayesian Learning (1.00)
Score Shocks: The Burgers Equation Structure of Diffusion Generative Models
We analyze the score field of a diffusion generative model through a Burgers-type evolution law. For VE diffusion, the heat-evolved data density implies that the score obeys viscous Burgers in one dimension and the corresponding irrotational vector Burgers system in $\R^d$, giving a PDE view of \emph{speciation transitions} as the sharpening of inter-mode interfaces. For any binary decomposition of the noised density into two positive heat solutions, the score separates into a smooth background and a universal $\tanh$ interfacial term determined by the component log-ratio; near a regular binary mode boundary this yields a normal criterion for speciation. In symmetric binary Gaussian mixtures, the criterion recovers the critical diffusion time detected by the midpoint derivative of the score and agrees with the spectral criterion of Biroli, Bonnaire, de~Bortoli, and Mézard (2024). After subtracting the background drift, the inter-mode layer has a local Burgers $\tanh$ profile, which becomes global in the symmetric Gaussian case with width $σ_τ^2/a$. We also quantify exponential amplification of score errors across this layer, show that Burgers dynamics preserves irrotationality, and use a change of variables to reduce the VP-SDE to the VE case, yielding a closed-form VP speciation time. Gaussian-mixture formulas are verified to machine precision, and the local theorem is checked numerically on a quartic double-well.
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- Asia > India > Maharashtra > Mumbai (0.04)
CRPS-Optimal Binning for Univariate Conformal Regression
We propose a method for non-parametric conditional distribution estimation based on partitioning covariate-sorted observations into contiguous bins and using the within-bin empirical CDF as the predictive distribution. Bin boundaries are chosen to minimise the total leave-one-out Continuous Ranked Probability Score (LOO-CRPS), which admits a closed-form cost function with $O(n^2 \log n)$ precomputation and $O(n^2)$ storage; the globally optimal $K$-partition is recovered by a dynamic programme in $O(n^2 K)$ time. Minimisation of within-sample LOO-CRPS turns out to be inappropriate for selecting $K$ as it results in in-sample optimism. We instead select $K$ by $K$-fold cross-validation of test CRPS, which yields a U-shaped criterion with a well-defined minimum. Having selected $K^*$ and fitted the full-data partition, we form two complementary predictive objects: the Venn prediction band and a conformal prediction set based on CRPS as the nonconformity score, which carries a finite-sample marginal coverage guarantee at any prescribed level $\varepsilon$. The conformal prediction is transductive and data-efficient, as all observations are used for both partitioning and p-value calculation, with no need to reserve a hold-out set. On real benchmarks against split-conformal competitors (Gaussian split conformal, CQR, CQR-QRF, and conformalized isotonic distributional regression), the method produces substantially narrower prediction intervals while maintaining near-nominal coverage.
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- Europe > France > Occitanie > Haute-Garonne > Toulouse (0.04)
Scenario theory for multi-criteria data-driven decision making
Garatti, Simone, Manieri, Lucrezia, Falsone, Alessandro, Carè, Algo, Campi, Marco C., Prandini, Maria
The scenario approach provides a powerful data-driven framework for designing solutions under uncertainty with rigorous probabilistic robustness guarantees. Existing theory, however, primarily addresses assessing robustness with respect to a single appropriateness criterion for the solution based on a dataset, whereas many practical applications - including multi-agent decision problems - require the simultaneous consideration of multiple criteria and the assessment of their robustness based on multiple datasets, one per criterion. This paper develops a general scenario theory for multi-criteria data-driven decision making. A central innovation lies in the collective treatment of the risks associated with violations of individual criteria, which yields substantially more accurate robustness certificates than those derived from a naive application of standard results. In turn, this approach enables a sharper quantification of the robustness level with which all criteria are simultaneously satisfied. The proposed framework applies broadly to multi-criteria data-driven decision problems, providing a principled, scalable, and theoretically grounded methodology for design under uncertainty.
Multi-fidelity approaches for general constrained Bayesian optimization with application to aircraft design
Cordelier, Oihan, Diouane, Youssef, Bartoli, Nathalie, Laurendeau, Eric
Aircraft design relies heavily on solving challenging and computationally expensive Multidisciplinary Design Optimization problems. In this context, there has been growing interest in multi-fidelity models for Bayesian optimization to improve the MDO process by balancing computational cost and accuracy through the combination of high- and low-fidelity simulation models, enabling efficient exploration of the design process at a minimal computational effort. In the existing literature, fidelity selection focuses only on the objective function to decide how to integrate multiple fidelity levels, balancing precision and computational cost using variance reduction criteria. In this work, we propose novel multi-fidelity selection strategies. Specifically, we demonstrate how incorporating information from both the objective and the constraints can further reduce computational costs without compromising the optimality of the solution. We validate the proposed multi-fidelity optimization strategy by applying it to four analytical test cases, showcasing its effectiveness. The proposed method is used to efficiently solve a challenging aircraft wing aero-structural design problem. The proposed setting uses a linear vortex lattice method and a finite element method for the aerodynamic and structural analysis respectively. We show that employing our proposed multi-fidelity approach leads to $86\%$ to $200\%$ more constraint compliant solutions given a limited budget compared to the state-of-the-art approach.
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- North America > Canada (0.04)
- Europe > Germany (0.04)
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Topological Detection of Hopf Bifurcations via Persistent Homology: A Functional Criterion from Time Series
Barrios, Jhonathan, Echávez, Yásser, Álvarez, Carlos F.
We propose a topological framework for the detection of Hopf bifurcations directly from time series, based on persistent homology applied to phase space reconstructions via Takens embedding within the framework of Topological Data Analysis. The central idea is that changes in the dynamical regime are reflected in the emergence or disappearance of a dominant one-dimensional homological features in the reconstructed attractor. To quantify this behavior, we introduce a simple and interpretable scalar topological functional defined as the maximum persistence of homology classes in dimension one. This functional is used to construct a computable criterion for identifying critical parameters in families of dynamical systems without requiring knowledge of the underlying equations. The proposed approach is validated on representative systems of increasing complexity, showing consistent detection of the bifurcation point. The results support the interpretation of dynamical transitions as topological phase transitions and demonstrate the potential of topological data analysis as a model-free tool for the quantitative analysis of nonlinear time series.
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- Europe > United Kingdom > England > Cambridgeshire > Cambridge (0.04)
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Adaptive Gaussian Process Search for Simulation-Based Sample Size Estimation in Clinical Prediction Models: Validation of the pmsims R Package
Olaniran, Oyebayo Ridwan, Shamsutdinova, Diana, Markham, Sarah, Zimmer, Felix, Stahl, Daniel, Forbes, Gordon, Carr, Ewan
Background: Determining an adequate sample size is essential for developing reliable and generalisable clinical prediction models, yet practical guidance on selecting appropriate methods remains limited. Existing analytical and simulation-based approaches often rely on restrictive assumptions and focus on mean-based criteria. We present and validate pmsims, an R package that uses Gaussian process surrogate modelling to provide a flexible and computationally efficient simulation-based framework for sample size determination across diverse prediction settings. Methods: We conducted a comprehensive simulation study with two aims. First, we compared three search engines implemented in pmsims: a Gaussian process-based adaptive method, a deterministic bisection method, and a hybrid approach, across binary, continuous, and survival outcomes. Second, we benchmarked the best-performing pmsims engine against existing analytical (pmsampsize) and simulation-based (samplesizedev) methods, evaluating recommended sample sizes, computational time, and achieved performance on large independent validation datasets. Results: The Gaussian process-based method consistently produced the most stable sample size estimates, particularly in low-signal, high-dimensional settings. In benchmarking, pmsims achieved performance close to prespecified targets across all outcome types, matching simulation-based approaches and outperforming analytical methods in more challenging scenarios. Conclusions: pmsims provides an efficient and flexible framework for principled sample size planning in clinical prediction modelling, requiring fewer model evaluations than non-adaptive simulation approaches.
- Research Report > New Finding (0.94)
- Research Report > Experimental Study (0.93)
Near-Equivalent Q-learning Policies for Dynamic Treatment Regimes
Yazzourh, Sophia, Moodie, Erica E. M.
Precision medicine aims to tailor therapeutic decisions to individual patient characteristics. This objective is commonly formalized through dynamic treatment regimes, which use statistical and machine learning methods to derive sequential decision rules adapted to evolving clinical information. In most existing formulations, these approaches produce a single optimal treatment at each stage, leading to a unique decision sequence. However, in many clinical settings, several treatment options may yield similar expected outcomes, and focusing on a single optimal policy may conceal meaningful alternatives. We extend the Q-learning framework for retrospective data by introducing a worst-value tolerance criterion controlled by a hyperparameter $\varepsilon$, which specifies the maximum acceptable deviation from the optimal expected value. Rather than identifying a single optimal policy, the proposed approach constructs sets of $\varepsilon$-optimal policies whose performance remains within a controlled neighborhood of the optimum. This formulation shifts Q-learning from a vector-valued representation to a matrix-valued one, allowing multiple admissible value functions to coexist during backward recursion. The approach yields families of near-equivalent treatment strategies and explicitly identifies regions of treatment indifference where several decisions achieve comparable outcomes. We illustrate the framework in two settings: a single-stage problem highlighting indifference regions around the decision boundary, and a multi-stage decision process based on a simulated oncology model describing tumor size and treatment toxicity dynamics.
Regularized Modal Regression with Applications in Cognitive Impairment Prediction
Linear regression models have been successfully used to function estimation and model selection in high-dimensional data analysis. However, most existing methods are built on least squares with the mean square error (MSE) criterion, which are sensitive to outliers and their performance may be degraded for heavy-tailed noise. In this paper, we go beyond this criterion by investigating the regularized modal regression from a statistical learning viewpoint. A new regularized modal regression model is proposed for estimation and variable selection, which is robust to outliers, heavy-tailed noise, and skewed noise. On the theoretical side, we establish the approximation estimate for learning the conditional mode function, the sparsity analysis for variable selection, and the robustness characterization. On the application side, we applied our model to successfully improve the cognitive impairment prediction using the Alzheimer's Disease Neuroimaging Initiative (ADNI) cohort data.
Stochastic Structured Prediction under Bandit Feedback
Stochastic structured prediction under bandit feedback follows a learning protocol where on each of a sequence of iterations, the learner receives an input, predicts an output structure, and receives partial feedback in form of a task loss evaluation of the predicted structure. We present applications of this learning scenario to convex and non-convex objectives for structured prediction and analyze them as stochastic first-order methods. We present an experimental evaluation on problems of natural language processing over exponential output spaces, and compare convergence speed across different objectives under the practical criterion of optimal task performance on development data and the optimization-theoretic criterion of minimal squared gradient norm. Best results under both criteria are obtained for a non-convex objective for pairwise preference learning under bandit feedback.