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We aim to create the highest possible quality of treatment-control matches for categorical data in the potential outcomes framework. Matching methods are heavily used in the social sciences due to their interpretability, but most matching…

Machine Learning · Statistics 2019-06-11 Yameng Liu , Aw Dieng , Sudeepa Roy , Cynthia Rudin , Alexander Volfovsky

Composite convex optimization problems which include both a nonsmooth term and a low-rank promoting term have important applications in machine learning and signal processing, such as when one wishes to recover an unknown matrix that is…

Machine Learning · Computer Science 2018-09-28 Dan Garber , Atara Kaplan

Natural Gradient Descent, a second-degree optimization method motivated by the information geometry, makes use of the Fisher Information Matrix instead of the Hessian which is typically used. However, in many cases, the Fisher Information…

Machine Learning · Computer Science 2023-03-10 Rajesh Shrestha

Simulation of quantum chemistry is expected to be a principal application of quantum computing. In quantum simulation, a complicated Hamiltonian describing the dynamics of a quantum system is decomposed into its constituent terms, where the…

Quantum Physics · Physics 2020-03-04 Yingkai Ouyang , David R. White , Earl T. Campbell

Stochastic optimizers play a crucial role in the successful training of deep neural network models. To achieve optimal model performance, designers must carefully select both model and optimizer hyperparameters. However, this process is…

Machine Learning · Computer Science 2024-09-17 Gustavo Silva , Paul Rodriguez

Supported by the recent contributions in multiple branches, the first-order splitting algorithms became central for structured nonsmooth optimization. In the large-scale or noisy contexts, when only stochastic information on the smooth part…

Optimization and Control · Mathematics 2020-10-05 Andrei Patrascu , Paul Irofti

Modern adaptive optimization methods, such as Adam and its variants, have emerged as the most widely used tools in deep learning over recent years. These algorithms offer automatic mechanisms for dynamically adjusting the update step based…

Machine Learning · Computer Science 2025-02-12 Son Nguyen , Bo Liu , Lizhang Chen , Qiang Liu

Kronecker-factored approximate curvature (KFAC) is arguably one of the most prominent curvature approximations in deep learning. Its applications range from optimization to Bayesian deep learning, training data attribution with influence…

Machine Learning · Computer Science 2025-07-08 Felix Dangel , Bálint Mucsányi , Tobias Weber , Runa Eschenhagen

Recently, there has been a surge in interest in developing optimization algorithms for overparameterized models as achieving generalization is believed to require algorithms with suitable biases. This interest centers on minimizing…

Machine Learning · Computer Science 2026-02-05 Behrooz Tahmasebi , Ashkan Soleymani , Dara Bahri , Stefanie Jegelka , Patrick Jaillet

In the present article, we review a continual effort on generalization of the Trotter formula to higher-order exponential product formulas. The exponential product formula is a good and useful approximant, particularly because it conserves…

Mathematical Physics · Physics 2011-11-10 Naomichi Hatano , Masuo Suzuki

We show that, for finite-sum minimization problems, incorporating partial second-order information of the objective function can dramatically improve the robustness to mini-batch size of variance-reduced stochastic gradient methods, making…

Optimization and Control · Mathematics 2024-04-24 Sachin Garg , Albert S. Berahas , Michał Dereziński

In this paper we analyze a zeroth-order proximal stochastic gradient method suitable for the minimization of weakly convex stochastic optimization problems. We consider nonsmooth and nonlinear stochastic composite problems, for which…

Optimization and Control · Mathematics 2025-04-21 Spyridon Pougkakiotis , Dionysios S. Kalogerias

Predictive inference in the sparse Gaussian sequence model has received considerably less attention than its non-sparse, finite-sample counterpart. Existing work has largely been confined to discrete mixture priors. In this paper, we study…

Statistics Theory · Mathematics 2026-04-21 Percy S. Zhai , Veronika Ročková

A class of preconditioners is introduced to enhance geometry optimisation and transition state search of molecular systems. We start from the Hessian of molecular mechanical terms, decompose it and retain only its positive definite part to…

Chemical Physics · Physics 2018-04-06 Letif Mones , Gabor Csanyi , Christoph Ortner

We provide a computational framework for approximating a class of structured matrices; here, the term structure is very general, and may refer to a regular sparsity pattern (e.g., block-banded), or be more highly structured (e.g., symmetric…

Numerical Analysis · Mathematics 2021-05-05 Misha E. Kilmer , Arvind K. Saibaba

In this paper, we consider an unconstrained optimization model where the objective is a sum of a large number of possibly nonconvex functions, though overall the objective is assumed to be smooth and convex. Our bid to solving such model…

Optimization and Control · Mathematics 2022-03-15 Xi Chen , Bo Jiang , Tianyi Lin , Shuzhong Zhang

Quantum computers are believed to have the ability to process huge data sizes which can be seen in machine learning applications. In these applications, the data in general is classical. Therefore, to process them on a quantum computer,…

Quantum Physics · Physics 2023-03-02 Ammar Daskin , Rishabh Gupta , Sabre Kais

The horseshoe prior has proven to be a noteworthy alternative for sparse Bayesian estimation, but as shown in this paper, the results can be sensitive to the prior choice for the global shrinkage hyperparameter. We argue that the previous…

Methodology · Statistics 2017-12-18 Juho Piironen , Aki Vehtari

Training deep neural networks is a structured optimization problem, because the parameters are naturally represented by matrices and tensors rather than by vectors. Under this structural representation, it has been widely observed that…

Machine Learning · Computer Science 2025-10-30 Kang An , Yuxing Liu , Rui Pan , Yi Ren , Shiqian Ma , Donald Goldfarb , Tong Zhang

Data plays a pivotal role in the groundbreaking advancements in artificial intelligence. The quantitative analysis of data significantly contributes to model training, enhancing both the efficiency and quality of data utilization. However,…

Machine Learning · Computer Science 2025-08-21 Haoru Tan , Sitong Wu , Xiuzhe Wu , Wang Wang , Bo Zhao , Zeke Xie , Gui-Song Xia , Xiaojuan Qi