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Convergence of projected stochastic natural gradient variational inference for various step size and sample or batch size schedules

arXiv.org Machine Learning

Stochastic natural gradient variational inference (NGVI) is a popular and efficient algorithm for Bayesian inference. Despite empirical success, the convergence of this method is still not fully understood. In this work, we define and study a projected stochastic NGVI when variational distributions form an exponential family. Stochasticity arises when either gradients are intractable expectations or large sums. We prove new non-asymptotic convergence results for combinations of constant or decreasing step sizes and constant or increasing sample/batch sizes. When all hyperparameters are fixed, NGVI is shown to converge geometrically to a neighborhood of the optimum, while we establish convergence to the optimum with rates of the form $\mathcal{O}\left(\frac{1}{T^ρ} \right)$, possibly with $ρ\geq 1$, for all other combinations of step size and sample/batch size schedules. These rates apply when the target posterior distribution is close in some sense to the considered exponential family. Our theoretical results extend existing NGVI and stochastic optimization results and provide more flexibility to adjust, in a principled way, step sizes and sample/batch sizes in order to meet speed, resources, or accuracy constraints.


Deconfounding Scores and Representation Learning for Causal Effect Estimation with Weak Overlap

arXiv.org Machine Learning

Overlap, also known as positivity, is a key condition for causal treatment effect estimation. Many popular estimators suffer from high variance and become brittle when features differ strongly across treatment groups. This is especially challenging in high dimensions: the curse of dimensionality can make overlap implausible. To address this, we propose a class of feature representations called deconfounding scores, which preserve both identification and the target of estimation; the classical propensity and prognostic scores are two special cases. We characterize the problem of finding a representation with better overlap as minimizing an overlap divergence under a deconfounding score constraint. We then derive closed-form expressions for a class of deconfounding scores under a broad family of generalized linear models with Gaussian features and show that prognostic scores are overlap-optimal within this class. We conduct extensive experiments to assess this behavior empirically.


Breaking Data Symmetry is Needed For Generalization in Feature Learning Kernels

arXiv.org Machine Learning

Grokking occurs when a model achieves high training accuracy but generalization to unseen test points happens long after that. This phenomenon was initially observed on a class of algebraic problems, such as learning modular arithmetic (Power et al., 2022). We study grokking on algebraic tasks in a class of feature learning kernels via the Recursive Feature Machine (RFM) algorithm (Radhakrishnan et al., 2024), which iteratively updates feature matrices through the Average Gradient Outer Product (AGOP) of an estimator in order to learn task-relevant features. Our main experimental finding is that generalization occurs only when a certain symmetry in the training set is broken. Furthermore, we empirically show that RFM generalizes by recovering the underlying invariance group action inherent in the data. We find that the learned feature matrices encode specific elements of the invariance group, explaining the dependence of generalization on symmetry.


mlr3mbo: Bayesian Optimization in R

arXiv.org Machine Learning

We present mlr3mbo, a comprehensive and modular toolbox for Bayesian optimization in R. mlr3mbo supports single- and multi-objective optimization, multi-point proposals, batch and asynchronous parallelization, input and output transformations, and robust error handling. While it can be used for many standard Bayesian optimization variants in applied settings, researchers can also construct custom BO algorithms from its flexible building blocks. In addition to an introduction to the software, its design principles, and its building blocks, the paper presents two extensive empirical evaluations of the software on the surrogate-based benchmark suite YAHPO Gym. To identify robust default configurations for both numeric and mixed-hierarchical optimization regimes, and to gain further insights into the respective impacts of individual settings, we run a coordinate descent search over the mlr3mbo configuration space and analyze its results. Furthermore, we demonstrate that mlr3mbo achieves state-of-the-art performance by benchmarking it against a wide range of optimizers, including HEBO, SMAC3, Ax, and Optuna.


Multi-fidelity approaches for general constrained Bayesian optimization with application to aircraft design

arXiv.org Machine Learning

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.


Nonnegative Matrix Factorization in the Component-Wise L1 Norm for Sparse Data

arXiv.org Machine Learning

Nonnegative matrix factorization (NMF) approximates a nonnegative matrix, $X$, by the product of two nonnegative factors, $WH$, where $W$ has $r$ columns and $H$ has $r$ rows. In this paper, we consider NMF using the component-wise L1 norm as the error measure (L1-NMF), which is suited for data corrupted by heavy-tailed noise, such as Laplace noise or salt and pepper noise, or in the presence of outliers. Our first contribution is an NP-hardness proof for L1-NMF, even when $r=1$, in contrast to the standard NMF that uses least squares. Our second contribution is to show that L1-NMF strongly enforces sparsity in the factors for sparse input matrices, thereby favoring interpretability. However, if the data is affected by false zeros, too sparse solutions might degrade the model. Our third contribution is a new, more general, L1-NMF model for sparse data, dubbed weighted L1-NMF (wL1-NMF), where the sparsity of the factorization is controlled by adding a penalization parameter to the entries of $WH$ associated with zeros in the data. The fourth contribution is a new coordinate descent (CD) approach for wL1-NMF, denoted as sparse CD (sCD), where each subproblem is solved by a weighted median algorithm. To the best of our knowledge, sCD is the first algorithm for L1-NMF whose complexity scales with the number of nonzero entries in the data, making it efficient in handling large-scale, sparse data. We perform extensive numerical experiments on synthetic and real-world data to show the effectiveness of our new proposed model (wL1-NMF) and algorithm (sCD).


Do covariates explain why these groups differ? The choice of reference group can reverse conclusions in the Oaxaca-Blinder decomposition

arXiv.org Machine Learning

Scientists often want to explain why an outcome is different in two groups. For instance, differences in patient mortality rates across two hospitals could be due to differences in the patients themselves (covariates) or differences in medical care (outcomes given covariates). The Oaxaca--Blinder decomposition (OBD) is a standard tool to tease apart these factors. It is well known that the OBD requires choosing one of the groups as a reference, and the numerical answer can vary with the reference. To the best of our knowledge, there has not been a systematic investigation into whether the choice of OBD reference can yield different substantive conclusions and how common this issue is. In the present paper, we give existence proofs in real and simulated data that the OBD references can yield substantively different conclusions and that these differences are not entirely driven by model misspecification or small data. We prove that substantively different conclusions occur in up to half of the parameter space, but find these discrepancies rare in the real-data analyses we study. We explain this empirical rarity by examining how realistic data-generating processes can be biased towards parameters that do not change conclusions under the OBD.


If You Need a Laptop, Buy It Now

The Atlantic - Technology

Electronics are getting more expensive and worse. Recently, a Costco in Florida instituted a new store policy. An employee told me that he was asked to open up every desktop computer displayed in the electronics section and remove the memory chips. Otherwise, the RAM harvesters would get them. Elsewhere, criminal groups are misdirecting trucks carrying RAM in order to loot them.


Enhancing Online Support Group Formation Using Topic Modeling Techniques

arXiv.org Machine Learning

Online health communities (OHCs) are vital for fostering peer support and improving health outcomes. Support groups within these platforms can provide more personalized and cohesive peer support, yet traditional support group formation methods face challenges related to scalability, static categorization, and insufficient personalization. To overcome these limitations, we propose two novel machine learning models for automated support group formation: the Group specific Dirichlet Multinomial Regression (gDMR) and the Group specific Structured Topic Model (gSTM). These models integrate user generated textual content, demographic profiles, and interaction data represented through node embeddings derived from user networks to systematically automate personalized, semantically coherent support group formation. We evaluate the models on a large scale dataset from MedHelp, comprising over 2 million user posts. Both models substantially outperform baseline methods including LDA, DMR, and STM in predictive accuracy (held out log likelihood), semantic coherence (UMass metric), and internal group consistency. The gDMR model yields group covariates that facilitate practical implementation by leveraging relational patterns from network structures and demographic data. In contrast, gSTM emphasizes sparsity constraints to generate more distinct and thematically specific groups. Qualitative analysis further validates the alignment between model generated groups and manually coded themes, showing the practical relevance of the models in informing groups that address diverse health concerns such as chronic illness management, diagnostic uncertainty, and mental health. By reducing reliance on manual curation, these frameworks provide scalable solutions that enhance peer interactions within OHCs, with implications for patient engagement, community resilience, and health outcomes.


Persistence diagrams of random matrices via Morse theory: universality and a new spectral diagnostic

arXiv.org Machine Learning

We prove that the persistence diagram of the sublevel set filtration of the quadratic form f(x) = x^T M x restricted to the unit sphere S^{n-1} is analytically determined by the eigenvalues of the symmetric matrix M. By Morse theory, the diagram has exactly n-1 finite bars, with the k-th bar living in homological dimension k-1 and having length equal to the k-th eigenvalue spacing s_k = λ_{k+1} - λ_k. This identification transfers random matrix theory (RMT) universality to persistence diagram universality: for matrices drawn from the Gaussian Orthogonal Ensemble (GOE), we derive the closed-form persistence entropy PE = log(8n/π) - 1, and verify numerically that the coefficient of variation of persistence statistics decays as n^{-0.6}. Different random matrix ensembles (GOE, GUE, Wishart) produce distinct universal persistence diagrams, providing topological fingerprints of RMT universality classes. As a practical consequence, we show that persistence entropy outperforms the standard level spacing ratio \langle r \rangle for discriminating GOE from GUE matrices (AUC 0.978 vs. 0.952 at n = 100, non-overlapping bootstrap 95% CIs), and detects global spectral perturbations in the Rosenzweig-Porter model to which \langle r \rangle is blind. These results establish persistence entropy as a new spectral diagnostic that captures complementary information to existing RMT tools.