Statistical Learning
Optimizing Photometric Light Curve Analysis: Evaluating Scipy's Minimize Function for Eclipse Mapping of Cataclysmic Variables
Kumar, Anoop, Ayyalasomayajula, Madan Mohan Tito, Panwar, Dheerendra, Vasa, Yeshwanth
With a particular focus on Scipy's minimize function the eclipse mapping method is thoroughly researched and implemented utilizing Python and essential libraries. Many optimization techniques are used, including Sequential Least Squares Programming (SLSQP), Nelder-Mead, and Conjugate Gradient (CG). However, for the purpose of examining photometric light curves these methods seek to solve the maximum entropy equation under a chi-squared constraint. Therefore, these techniques are first evaluated on two-dimensional Gaussian data without a chi-squared restriction, and then they are used to map the accretion disc and uncover the Gaussian structure of the Cataclysmic Variable KIC 201325107. Critical analysis is performed on the code structure to find possible faults and design problems. Additionally, the analysis shows how several factors impacting computing time and image quality are included including the variance in Gaussian weighting, disc image resolution, number of data points in the light curve, and degree of constraint.
Understanding Encoder-Decoder Structures in Machine Learning Using Information Measures
Silva, Jorge F., Faraggi, Victor, Ramirez, Camilo, Egana, Alvaro, Pavez, Eduardo
We present new results to model and understand the role of encoder-decoder design in machine learning (ML) from an information-theoretic angle. We use two main information concepts, information sufficiency (IS) and mutual information loss (MIL), to represent predictive structures in machine learning. Our first main result provides a functional expression that characterizes the class of probabilistic models consistent with an IS encoder-decoder latent predictive structure. This result formally justifies the encoder-decoder forward stages many modern ML architectures adopt to learn latent (compressed) representations for classification. To illustrate IS as a realistic and relevant model assumption, we revisit some known ML concepts and present some interesting new examples: invariant, robust, sparse, and digital models. Furthermore, our IS characterization allows us to tackle the fundamental question of how much performance (predictive expressiveness) could be lost, using the cross entropy risk, when a given encoder-decoder architecture is adopted in a learning setting. Here, our second main result shows that a mutual information loss quantifies the lack of expressiveness attributed to the choice of a (biased) encoder-decoder ML design. Finally, we address the problem of universal cross-entropy learning with an encoder-decoder design where necessary and sufficiency conditions are established to meet this requirement. In all these results, Shannon's information measures offer new interpretations and explanations for representation learning.
Quantitative Convergences of Lie Group Momentum Optimizers
Explicit, momentum-based dynamics that optimize functions defined on Lie groups can be constructed via variational optimization and momentum trivialization. Structure preserving time discretizations can then turn this dynamics into optimization algorithms. This article investigates two types of discretization, Lie Heavy-Ball, which is a known splitting scheme, and Lie NAG-SC, which is newly proposed. Their convergence rates are explicitly quantified under $L$-smoothness and local strong convexity assumptions. Lie NAG-SC provides acceleration over the momentumless case, i.e. Riemannian gradient descent, but Lie Heavy-Ball does not. When compared to existing accelerated optimizers for general manifolds, both Lie Heavy-Ball and Lie NAG-SC are computationally cheaper and easier to implement, thanks to their utilization of group structure. Only gradient oracle and exponential map are required, but not logarithm map or parallel transport which are computational costly.
Deep Learning for Computing Convergence Rates of Markov Chains
Qu, Yanlin, Blanchet, Jose, Glynn, Peter
Convergence rate analysis for general state-space Markov chains is fundamentally important in areas such as Markov chain Monte Carlo and algorithmic analysis (for computing explicit convergence bounds). This problem, however, is notoriously difficult because traditional analytical methods often do not generate practically useful convergence bounds for realistic Markov chains. We propose the Deep Contractive Drift Calculator (DCDC), the first general-purpose sample-based algorithm for bounding the convergence of Markov chains to stationarity in Wasserstein distance. The DCDC has two components. First, inspired by the new convergence analysis framework in (Qu et al., 2023), we introduce the Contractive Drift Equation (CDE), the solution of which leads to an explicit convergence bound. Second, we develop an efficient neural-network-based CDE solver. Equipped with these two components, DCDC solves the CDE and converts the solution into a convergence bound. We analyze the sample complexity of the algorithm and further demonstrate the effectiveness of the DCDC by generating convergence bounds for realistic Markov chains arising from stochastic processing networks as well as constant step-size stochastic optimization.
On the Connection Between Non-negative Matrix Factorization and Latent Dirichlet Allocation
Geiger, Benedikt, Park, Peter J.
Non-negative matrix factorization with the generalized Kullback-Leibler divergence (NMF) and latent Dirichlet allocation (LDA) are two popular approaches for dimensionality reduction of non-negative data. Here, we show that NMF with $\ell_1$ normalization constraints on the columns of both matrices of the decomposition and a Dirichlet prior on the columns of one matrix is equivalent to LDA. To show this, we demonstrate that explicitly accounting for the scaling ambiguity of NMF by adding $\ell_1$ normalization constraints to the optimization problem allows a joint update of both matrices in the widely used multiplicative updates (MU) algorithm. When both of the matrices are normalized, the joint MU algorithm leads to probabilistic latent semantic analysis (PLSA), which is LDA without a Dirichlet prior. Our approach of deriving joint updates for NMF also reveals that a Lasso penalty on one matrix together with an $\ell_1$ normalization constraint on the other matrix is insufficient to induce any sparsity.
Fully Unconstrained Online Learning
Cutkosky, Ashok, Mhammedi, Zakaria
We provide an online learning algorithm that obtains regret $G\|w_\star\|\sqrt{T\log(\|w_\star\|G\sqrt{T})} + \|w_\star\|^2 + G^2$ on $G$-Lipschitz convex losses for any comparison point $w_\star$ without knowing either $G$ or $\|w_\star\|$. Importantly, this matches the optimal bound $G\|w_\star\|\sqrt{T}$ available with such knowledge (up to logarithmic factors), unless either $\|w_\star\|$ or $G$ is so large that even $G\|w_\star\|\sqrt{T}$ is roughly linear in $T$. Thus, it matches the optimal bound in all cases in which one can achieve sublinear regret, which arguably most "interesting" scenarios.
Fast leave-one-cluster-out cross-validation by clustered Network Information Criteria (NICc)
Qiu, Jiaxing, Lake, Douglas E., Henry, Teague R.
This paper introduced a clustered estimator of the Network Information Criterion (NICc) to approximate leave-one-cluster-out cross-validated deviance, which can be used as an alternative to cluster-based cross-validation when modeling clustered data. Stone proved that Akaike Information Criterion (AIC) is an asymptotic equivalence to leave-one-observation-out cross-validation if the parametric model is true. Ripley pointed out that the Network Information Criterion (NIC) derived in Stone's proof, is a better approximation to leave-one-observation-out cross-validation when the model is not true. For clustered data, we derived a clustered estimator of NIC, referred to as NICc, by substituting the Fisher information matrix in NIC with its estimator that adjusts for clustering. This adjustment imposes a larger penalty in NICc than the unclustered estimator of NIC when modeling clustered data, thereby preventing overfitting more effectively. In a simulation study and an empirical example, we used linear and logistic regression to model clustered data with Gaussian or binomial response, respectively. We showed that NICc is a better approximation to leave-one-cluster-out deviance and prevents overfitting more effectively than AIC and Bayesian Information Criterion (BIC). NICc leads to more accurate model selection, as determined by cluster-based cross-validation, compared to AIC and BIC.
Task-Agnostic Machine Learning-Assisted Inference
Machine learning (ML) is playing an increasingly important role in scientific research. In conjunction with classical statistical approaches, ML-assisted analytical strategies have shown great promise in accelerating research findings. This has also opened up a whole new field of methodological research focusing on integrative approaches that leverage both ML and statistics to tackle data science challenges. One type of study that has quickly gained popularity employs ML to predict unobserved outcomes in massive samples and then uses the predicted outcomes in downstream statistical inference. However, existing methods designed to ensure the validity of this type of post-prediction inference are limited to very basic tasks such as linear regression analysis. This is because any extension of these approaches to new, more sophisticated statistical tasks requires task-specific algebraic derivations and software implementations, which ignores the massive library of existing software tools already developed for complex inference tasks and severely constrains the scope of post-prediction inference in real applications. To address this challenge, we propose a novel statistical framework for task-agnostic ML-assisted inference. It provides a post-prediction inference solution that can be easily plugged into almost any established data analysis routine. It delivers valid and efficient inference that is robust to arbitrary choices of ML models, while allowing nearly all existing analytical frameworks to be incorporated into the analysis of ML-predicted outcomes. Through extensive experiments, we showcase the validity, versatility, and superiority of our method compared to existing approaches.
Domain Adaptation with Cauchy-Schwarz Divergence
Yin, Wenzhe, Yu, Shujian, Lin, Yicong, Liu, Jie, Sonke, Jan-Jakob, Gavves, Efstratios
Domain adaptation aims to use training data from one or multiple source domains to learn a hypothesis that can be generalized to a different, but related, target domain. As such, having a reliable measure for evaluating the discrepancy of both marginal and conditional distributions is crucial. We introduce Cauchy-Schwarz (CS) divergence to the problem of unsupervised domain adaptation (UDA). The CS divergence offers a theoretically tighter generalization error bound than the popular Kullback-Leibler divergence. This holds for the general case of supervised learning, including multi-class classification and regression. Furthermore, we illustrate that the CS divergence enables a simple estimator on the discrepancy of both marginal and conditional distributions between source and target domains in the representation space, without requiring any distributional assumptions. We provide multiple examples to illustrate how the CS divergence can be conveniently used in both distance metric- or adversarial training-based UDA frameworks, resulting in compelling performance.
A Geometric Unification of Distributionally Robust Covariance Estimators: Shrinking the Spectrum by Inflating the Ambiguity Set
Yue, Man-Chung, Rychener, Yves, Kuhn, Daniel, Nguyen, Viet Anh
The state-of-the-art methods for estimating high-dimensional covariance matrices all shrink the eigenvalues of the sample covariance matrix towards a data-insensitive shrinkage target. The underlying shrinkage transformation is either chosen heuristically - without compelling theoretical justification - or optimally in view of restrictive distributional assumptions. In this paper, we propose a principled approach to construct covariance estimators without imposing restrictive assumptions. That is, we study distributionally robust covariance estimation problems that minimize the worst-case Frobenius error with respect to all data distributions close to a nominal distribution, where the proximity of distributions is measured via a divergence on the space of covariance matrices. We identify mild conditions on this divergence under which the resulting minimizers represent shrinkage estimators. We show that the corresponding shrinkage transformations are intimately related to the geometrical properties of the underlying divergence. We also prove that our robust estimators are efficiently computable and asymptotically consistent and that they enjoy finite-sample performance guarantees. We exemplify our general methodology by synthesizing explicit estimators induced by the Kullback-Leibler, Fisher-Rao, and Wasserstein divergences. Numerical experiments based on synthetic and real data show that our robust estimators are competitive with state-of-the-art estimators.