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Density Functional Theory (DFT) is the de facto workhorse for large-scale electronic structure calculations in chemistry and materials science. While plane-wave DFT implementations remain the most widely used, real-space DFT provides…
In this work, we conduct a systematic study of stochastic saddle point problems (SSP) and stochastic variational inequalities (SVI) under the constraint of $(\epsilon,\delta)$-differential privacy (DP) in both Euclidean and non-Euclidean…
We consider the variable selection problem of generalized linear models (GLMs). Stability selection (SS) is a promising method proposed for solving this problem. Although SS provides practical variable selection criteria, it is…
Self-consistency (SC), a widely used decoding strategy for chain-of-thought reasoning, shows significant gains across various multi-step reasoning tasks but comes with a high cost due to multiple sampling with the preset size. Its variants,…
The framework of Integral Quadratic Constraints of Lessard et al. (2014) reduces the computation of upper bounds on the convergence rate of several optimization algorithms to semi-definite programming (SDP). Followup work by Nishihara et…
Sparse PCA (SPCA) is a fundamental model in machine learning and data analytics, which has witnessed a variety of application areas such as finance, manufacturing, biology, healthcare. To select a prespecified-size principal submatrix from…
Stochastic gradient descent (SGD) and its variants have established themselves as the go-to algorithms for large-scale machine learning problems with independent samples due to their generalization performance and intrinsic computational…
Diffusion models play a pivotal role in contemporary generative modeling, claiming state-of-the-art performance across various domains. Despite their superior sample quality, mainstream diffusion-based stochastic samplers like DDPM often…
In this paper, we focus on the relaxed proximal point algorithm (RPPA) for solving convex (possibly nonsmooth) optimization problems. We conduct a comprehensive study on three types of relaxation schedules: (i) constant schedule with…
Stochastic gradients have been widely integrated into Langevin-based methods to improve their scalability and efficiency in solving large-scale sampling problems. However, the proximal sampler, which exhibits much faster convergence than…
Modern statistical applications often involve minimizing an objective function that may be nonsmooth and/or nonconvex. This paper focuses on a broad Bregman-surrogate algorithm framework including the local linear approximation, mirror…
Posterior inference for Dirichlet process mixture models is analytically intractable and typically relies on Markov chain Monte Carlo methods, which can become computationally prohibitive at moderate to large sample sizes. In this work, we…
Semidefinite programs (SDPs) are powerful theoretical tools that have been studied for over two decades, but their practical use remains limited due to computational difficulties in solving large-scale, realistic-sized problems. In this…
Hard Thresholding Pursuit (HTP) has aroused increasing attention for its robust theoretical guarantees and impressive numerical performance in non-convex optimization. In this paper, we introduce a novel tuning-free procedure, named…
Stochastic gradient descent with momentum (SGDM) is the dominant algorithm in many optimization scenarios, including convex optimization instances and non-convex neural network training. Yet, in the stochastic setting, momentum interferes…
Stochastic gradient descent (SGD) is a standard optimization method to minimize a training error with respect to network parameters in modern neural network learning. However, it typically suffers from proliferation of saddle points in the…
Dataset distillation or condensation aims to generate a smaller but representative subset from a large dataset, which allows a model to be trained more efficiently, meanwhile evaluating on the original testing data distribution to achieve…
Test-time adaptation (TTA) enables efficient adaptation of deployed models, yet it often leads to poorly calibrated predictive uncertainty - a critical issue in high-stakes domains such as autonomous driving, finance, and healthcare.…
We experimentally demonstrate a universal, parameter-independent test for asymmetric source discrimination. The test allows us to discriminate faint sources well beyond the diffraction limit by exploiting spatial mode demultiplexing (SPADE)…
Configurable systems are those that can be adapted from a set of options. They are prevalent and testing them is important and challenging. Existing approaches for testing configurable systems are either unsound (i.e., they can miss…