The transformer architecture has demonstrated strong performance in classification tasks involving structured and high-dimensional data. However, its success often hinges on large- scale training data and careful regularization to prevent overfitting. In this paper, we intro- duce a novel likelihood-guided variational Ising-based regularization framework for Vision Transformers (ViTs), which simultaneously enhances model generalization and dynamically prunes redundant parameters. The proposed variational Ising-based regularization approach leverages Bayesian sparsification techniques to impose structured sparsity on model weights, allowing for adaptive architecture search during training. Unlike traditional dropout-based methods, which enforce fixed sparsity patterns, the variational Ising-based regularization method learns task-adaptive regularization, improving both efficiency and interpretability. We evaluate our approach on benchmark vision datasets, including MNIST, Fashion-MNIST, CIFAR-10, and CIFAR-100, demonstrating improved generalization under sparse, complex data and allowing for principled uncertainty quantification on both weights and selection parameters. Additionally, we show that the Ising regularizer leads to better-calibrated probability estimates and structured feature selection through uncertainty-aware attention mechanisms. Our results highlight the effectiveness of structured Bayesian sparsification in enhancing transformer-based architectures, offering a principled alternative to standard regularization techniques.

In this paper, we formulate the hyperparameter tuning problem in machine learning as a bilevel program. The bilevel program is solved using a micro genetic algorithm that is enhanced with a linear program. While the genetic algorithm searches over discrete hyperparameters, the linear program enhancement allows hyper local search over continuous hyperparameters. The major contribution in this paper is the formulation of a linear program that supports fast search over continuous hyperparameters, and can be integrated with any hyperparameter search technique. It can also be applied directly on any trained machine learning or deep learning model for the purpose of fine-tuning. We test the performance of the proposed approach on two datasets, MNIST and CIFAR-10. Our results clearly demonstrate that using the linear program enhancement offers significant promise when incorporated with any population-based approach for hyperparameter tuning.

Regularized nonnegative low-rank approximations such as sparse Nonnegative Matrix Factorization or sparse Nonnegative Tucker Decomposition are an important branch of dimensionality reduction models with enhanced interpretability. However, from a practical perspective, the choice of regularizers and regularization coefficients, as well as the design of efficient algorithms, is challenging because of the multifactor nature of these models and the lack of theory to back these choices. This paper aims at improving upon these issues. By studying a more general model called the Homogeneous Regularized Scale-Invariant, we prove that the scale-invariance inherent to low-rank approximation models causes an implicit regularization with both unexpected beneficial and detrimental effects. This observation allows to better understand the effect of regularization functions in low-rank approximation models, to guide the choice of the regularization hyperparameters, and to design balancing strategies to enhance the convergence speed of dedicated optimization algorithms. Some of these results were already known but restricted to specific instances of regularized low-rank approximations. We also derive a generic Majorization Minimization algorithm that handles many regularized nonnegative low-rank approximations, with convergence guarantees. We showcase our contributions on sparse Nonnegative Matrix Factorization, ridge-regularized Canonical Polyadic decomposition and sparse Nonnegative Tucker Decomposition.

Unbalanced optimal transport (UOT) has recently gained much attention due to its flexible framework for handling un-normalized measures and its robustness properties. In this work, we explore learning (structured) sparse transport plans in the UOT setting, i.e., transport plans have an upper bound on the number of non-sparse entries in each column (structured sparse pattern) or in the whole plan (general sparse pattern). We propose novel sparsity-constrained UOT formulations building on the recently explored maximum mean discrepancy based UOT. We show that the proposed optimization problem is equivalent to the maximization of a weakly submodular function over a uniform matroid or a partition matroid. We develop efficient gradient-based discrete greedy algorithms and provide the corresponding theoretical guarantees. Empirically, we observe that our proposed greedy algorithms select a diverse support set and we illustrate the efficacy of the proposed approach in various applications.

Common regularization algorithms for linear regression, such as LASSO and Ridge regression, rely on a regularization hyperparameter that balances the tradeoff between minimizing the fitting error and the norm of the learned model coefficients. As this hyperparameter is scalar, it can be easily selected via random or grid search optimizing a cross-validation criterion. However, using a scalar hyperparameter limits the algorithm's flexibility and potential for better generalization. In this paper, we address the problem of linear regression with l2-regularization, where a different regularization hyperparameter is associated with each input variable. We optimize these hyperparameters using a gradient-based approach, wherein the gradient of a cross-validation criterion with respect to the regularization hyperparameters is computed analytically through matrix differential calculus. Additionally, we introduce two strategies tailored for sparse model learning problems aiming at reducing the risk of overfitting to the validation data. Numerical examples demonstrate that our multi-hyperparameter regularization approach outperforms LASSO, Ridge, and Elastic Net regression. Moreover, the analytical computation of the gradient proves to be more efficient in terms of computational time compared to automatic differentiation, especially when handling a large number of input variables. Application to the identification of over-parameterized Linear Parameter-Varying models is also presented.

Machine Learning (ML) algorithms are vulnerable to poisoning attacks, where a fraction of the training data is manipulated to deliberately degrade the algorithms' performance. Optimal attacks can be formulated as bilevel optimization problems and help to assess their robustness in worst-case scenarios. We show that current approaches, which typically assume that hyperparameters remain constant, lead to an overly pessimistic view of the algorithms' robustness and of the impact of regularization. We propose a novel optimal attack formulation that considers the effect of the attack on the hyperparameters and models the attack as a multiobjective bilevel optimization problem. This allows to formulate optimal attacks, learn hyperparameters and evaluate robustness under worst-case conditions. We apply this attack formulation to several ML classifiers using $L_2$ and $L_1$ regularization. Our evaluation on multiple datasets confirms the limitations of previous strategies and evidences the benefits of using $L_2$ and $L_1$ regularization to dampen the effect of poisoning attacks.

Hyperparameter optimization in machine learning is often achieved using naive techniques that only lead to an approximate set of hyperparameters. Although techniques such as Bayesian optimization perform an intelligent search on a given domain of hyperparameters, it does not guarantee an optimal solution. A major drawback of most of these approaches is an exponential increase of their search domain with number of hyperparameters, increasing the computational cost and making the approaches slow. The hyperparameter optimization problem is inherently a bilevel optimization task, and some studies have attempted bilevel solution methodologies for solving this problem. However, these studies assume a unique set of model weights that minimize the training loss, which is generally violated by deep learning architectures. This paper discusses a gradient-based bilevel method addressing these drawbacks for solving the hyperparameter optimization problem. The proposed method can handle continuous hyperparameters for which we have chosen the regularization hyperparameter in our experiments. The method guarantees convergence to the set of optimal hyperparameters that this study has theoretically proven. The idea is based on approximating the lower-level optimal value function using Gaussian process regression. As a result, the bilevel problem is reduced to a single level constrained optimization task that is solved using the augmented Lagrangian method. We have performed an extensive computational study on the MNIST and CIFAR-10 datasets on multi-layer perceptron and LeNet architectures that confirms the efficiency of the proposed method. A comparative study against grid search, random search, Bayesian optimization, and HyberBand method on various hyperparameter problems shows that the proposed algorithm converges with lower computation and leads to models that generalize better on the testing set.

Using multiple regularization hyperparameters is an effective method for managing model complexity in problems where input features have varying amounts of noise. While algorithms for choosing multiple hyperparameters are often used in neural networks and support vector machines, they are not common in structured prediction tasks, such as sequence labeling or parsing. In this paper, we consider the problem of learning regularization hyperparameters for log-linear models, a class of probabilistic models for structured prediction tasks which includes conditional random fields (CRFs). Using an implicit differentiation trick, we derive an efficient gradient-based method for learning Gaussian regularization priors with multiple hyperparameters. In both simulations and the real-world task of computational RNA secondary structure prediction, we find that multiple hyperparameter learning provides a significant boost in accuracy compared to models learned using only a single regularization hyperparameter.

Protected attributes are often presented as categorical features that need to be encoded before feeding them into a machine learning algorithm. Encoding these attributes is paramount as they determine the way the algorithm will learn from the data. Categorical feature encoding has a direct impact on the model performance and fairness. In this work, we compare the accuracy and fairness implications of the two most well-known encoders: one-hot encoding and target encoding. We distinguish between two types of induced bias that can arise while using these encodings and can lead to unfair models. The first type, irreducible bias, is due to direct group category discrimination and a second type, reducible bias, is due to large variance in less statistically represented groups. We take a deeper look into how regularization methods for target encoding can improve the induced bias while encoding categorical features. Furthermore, we tackle the problem of intersectional fairness that arises when mixing two protected categorical features leading to higher cardinality. This practice is a powerful feature engineering technique used for boosting model performance. We study its implications on fairness as it can increase both types of induced bias

In the case of XGBoost, it is more useful to discuss hyperparameter tuning than the underlying mathematics because hyperparameter tuning is unusually complex, time-consuming, and necessary for deployment, whereas the mathematics are already embedded in the code libraries. While manual hyperparameter tuning is essential and time-consuming in many machine learning algorithms or models, it is especially so in XGBoost. Therefore, while this section focuses on identifying a key element to deploying XGBoost -- in our case study and example here to predict new fashions ("fast fashion") to gain competitive advantage in online apparel sales -- these hyperparameter tuning lessons are valid for all applications of XGBoost, and many other machine learning model applications herein also. The distinction and roles of parameters and hyperparameters is critical to affordable, timely, and accurate machine learning deployments. A core benefit to machine learning is its ability to discover and identify patterns and regularities in Big Data by automatically tuning many thousands or millions of "learnable" parameters. For example, in tree-based models like XGBoost (and decision trees and random forests), these learnable parameters are how many decision variables are at each node.