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 lagrange multiplier


Maximum entropy based testing in network models: ERGMs and constrained optimization

Ghosh, Subhrosekhar, Karmakar, Rathindra Nath, Lahiry, Samriddha

arXiv.org Machine Learning

Stochastic network models play a central role across a wide range of scientific disciplines, and questions of statistical inference arise naturally in this context. In this paper we investigate goodness-of-fit and two-sample testing procedures for statistical networks based on the principle of maximum entropy (MaxEnt). Our approach formulates a constrained entropy-maximization problem on the space of networks, subject to prescribed structural constraints. The resulting test statistics are defined through the Lagrange multipliers associated with the constrained optimization problem, which, to our knowledge, is novel in the statistical networks literature. We establish consistency in the classical regime where the number of vertices is fixed. We then consider asymptotic regimes in which the graph size grows with the sample size, developing tests for both dense and sparse settings. In the dense case, we analyze exponential random graph models (ERGM) (including the Erdös-Rènyi models), while in the sparse regime our theory applies to Erd{ö}s-R{è}nyi graphs. Our analysis leverages recent advances in nonlinear large deviation theory for random graphs. We further show that the proposed Lagrange-multiplier framework connects naturally to classical score tests for constrained maximum likelihood estimation. The results provide a unified entropy-based framework for network model assessment across diverse growth regimes.








Simulation-based Bayesian inference with ameliorative learned summary statistics -- Part I

Befekadu, Getachew K.

arXiv.org Machine Learning

This paper, which is Part 1 of a two-part paper series, considers a simulation-based inference with learned summary statistics, in which such a learned summary statistic serves as an empirical-likelihood with ameliorative effects in the Bayesian setting, when the exact likelihood function associated with the observation data and the simulation model is difficult to obtain in a closed form or computationally intractable. In particular, a transformation technique which leverages the Cressie-Read discrepancy criterion under moment restrictions is used for summarizing the learned statistics between the observation data and the simulation outputs, while preserving the statistical power of the inference. Here, such a transformation of data-to-learned summary statistics also allows the simulation outputs to be conditioned on the observation data, so that the inference task can be performed over certain sample sets of the observation data that are considered as an empirical relevance or believed to be particular importance. Moreover, the simulation-based inference framework discussed in this paper can be extended further, and thus handling weakly dependent observation data. Finally, we remark that such an inference framework is suitable for implementation in distributed computing, i.e., computational tasks involving both the data-to-learned summary statistics and the Bayesian inferencing problem can be posed as a unified distributed inference problem that will exploit distributed optimization and MCMC algorithms for supporting large datasets associated with complex simulation models.



Physics-informed Polynomial Chaos Expansion with Enhanced Constrained Optimization Solver and D-optimal Sampling

Lu, Qitian, Sharma, Himanshu, Shields, Michael D., Novák, Lukáš

arXiv.org Machine Learning

Physics-informed polynomial chaos expansions (PC$^2$) provide an efficient physically constrained surrogate modeling framework by embedding governing equations and other physical constraints into the standard data-driven polynomial chaos expansions (PCE) and solving via the Karush-Kuhn-Tucker (KKT) conditions. This approach improves the physical interpretability of surrogate models while achieving high computational efficiency and accuracy. However, the performance and efficiency of PC$^2$ can still be degraded with high-dimensional parameter spaces, limited data availability, or unrepresentative training data. To address this problem, this study explores two complementary enhancements to the PC$^2$ framework. First, a numerically efficient constrained optimization solver, straightforward updating of Lagrange multipliers (SULM), is adopted as an alternative to the conventional KKT solver. The SULM method significantly reduces computational cost when solving physically constrained problems with high-dimensionality and derivative boundary conditions that require a large number of virtual points. Second, a D-optimal sampling strategy is utilized to select informative virtual points to improve the stability and achieve the balance of accuracy and efficiency of the PC$^2$. The proposed methods are integrated into the PC$^2$ framework and evaluated through numerical examples of representative physical systems governed by ordinary or partial differential equations. The results demonstrate that the enhanced PC$^2$ has better comprehensive capability than standard PC$^2$, and is well-suited for high-dimensional uncertainty quantification tasks.