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The monotone variational inequality is a central problem in mathematical programming that unifies and generalizes many important settings such as smooth convex optimization, two-player zero-sum games, convex-concave saddle point problems, etc. The extragradient method by Korpelevich [1976] is one of the most popular methods for solving monotone variational inequalities. Despite its long history and intensive attention from the optimization and machine learning community, the following major problem remains open. What is the last-iterate convergence rate of the extragradient method for monotone and Lipschitz variational inequalities with constraints? We resolve this open problem by showing a tight $O\left(\frac{1}{\sqrt{T}}\right)$ last-iterate convergence rate for arbitrary convex feasible sets, which matches the lower bound by Golowich et al. [2020]. Our rate is measured in terms of the standard gap function. The technical core of our result is the monotonicity of a new performance measure -- the tangent residual, which can be viewed as an adaptation of the norm of the operator that takes the local constraints into account. To establish the monotonicity, we develop a new approach that combines the power of the sum-of-squares programming with the low dimensionality of the update rule of the extragradient method. We believe our approach has many additional applications in the analysis of iterative methods.

Deep learning inspired by differential equations is a recent research trend and has marked the state of the art performance for many machine learning tasks. Among them, time-series modeling with neural controlled differential equations (NCDEs) is considered as a breakthrough. In many cases, NCDE-based models not only provide better accuracy than recurrent neural networks (RNNs) but also make it possible to process irregular time-series. In this work, we enhance NCDEs by redesigning their core part, i.e., generating a continuous path from a discrete time-series input. NCDEs typically use interpolation algorithms to convert discrete time-series samples to continuous paths. However, we propose to i) generate another latent continuous path using an encoder-decoder architecture, which corresponds to the interpolation process of NCDEs, i.e., our neural network-based interpolation vs. the existing explicit interpolation, and ii) exploit the generative characteristic of the decoder, i.e., extrapolation beyond the time domain of original data if needed. Therefore, our NCDE design can use both the interpolated and the extrapolated information for downstream machine learning tasks. In our experiments with 5 real-world datasets and 12 baselines, our extrapolation and interpolation-based NCDEs outperform existing baselines by non-trivial margins.

In this paper we get error bounds for fully discrete approximations of infinite horizon problems via the dynamic programming approach. It is well known that considering a time discretization with a positive step size $h$ an error bound of size $h$ can be proved for the difference between the value function (viscosity solution of the Hamilton-Jacobi-Bellman equation corresponding to the infinite horizon) and the value function of the discrete time problem. However, including also a spatial discretization based on elements of size $k$ an error bound of size $O(k/h)$ can be found in the literature for the error between the value functions of the continuous problem and the fully discrete problem. In this paper we revise the error bound of the fully discrete method and prove, under similar assumptions to those of the time discrete case, that the error of the fully discrete case is in fact $O(h+k)$ which gives first order in time and space for the method. This error bound matches the numerical experiments of many papers in the literature in which the behaviour $1/h$ from the bound $O(k/h)$ have not been observed.

We investigate the feature compression of high-dimensional ridge regression using the optimal subsampling technique. Specifically, based on the basic framework of random sampling algorithm on feature for ridge regression and the A-optimal design criterion, we first obtain a set of optimal subsampling probabilities. Considering that the obtained probabilities are uneconomical, we then propose the nearly optimal ones. With these probabilities, a two step iterative algorithm is established which has lower computational cost and higher accuracy. We provide theoretical analysis and numerical experiments to support the proposed methods. Numerical results demonstrate the decent performance of our methods.

In this work, we study the transfer learning problem under high-dimensional generalized linear models (GLMs), which aim to improve the fit on target data by borrowing information from useful source data. Given which sources to transfer, we propose a transfer learning algorithm on GLM, and derive its $\ell_1/\ell_2$-estimation error bounds as well as a bound for a prediction error measure. The theoretical analysis shows that when the target and source are sufficiently close to each other, these bounds could be improved over those of the classical penalized estimator using only target data under mild conditions. When we don't know which sources to transfer, an algorithm-free transferable source detection approach is introduced to detect informative sources. The detection consistency is proved under the high-dimensional GLM transfer learning setting. We also propose an algorithm to construct confidence intervals of each coefficient component, and the corresponding theories are provided. Extensive simulations and a real-data experiment verify the effectiveness of our algorithms. We implement the proposed GLM transfer learning algorithms in a new R package glmtrans, which is available on CRAN.

Loneliness has been associated with negative outcomes for physical and mental health. Understanding how people express and cope with various forms of loneliness is critical for early screening and targeted interventions to reduce loneliness, particularly among vulnerable groups such as young adults. To examine how different forms of loneliness and coping strategies manifest in loneliness self-disclosure, we built a dataset, FIG-Loneliness (FIne-Grained Loneliness) by using Reddit posts in two young adult-focused forums and two loneliness related forums consisting of a diverse age group. We provided annotations by trained human annotators for binary and fine-grained loneliness classifications of the posts. Trained on FIG-Loneliness, two BERT-based models were used to understand loneliness forms and authors' coping strategies in these forums. Our binary loneliness classification achieved an accuracy above 97%, and fine-grained loneliness category classification reached an average accuracy of 77% across all labeled categories. With FIG-Loneliness and model predictions, we found that loneliness expressions in the young adults related forums were distinct from other forums. Those in young adult-focused forums were more likely to express concerns pertaining to peer relationship, and were potentially more sensitive to geographical isolation impacted by the COVID-19 pandemic lockdown. Also, we showed that different forms of loneliness have differential use in coping strategies.

We propose a new fast algorithm to estimate any sparse generalized linear model with convex or non-convex separable penalties. Our algorithm is able to solve problems with millions of samples and features in seconds, by relying on coordinate descent, working sets and Anderson acceleration. It handles previously unaddressed models, and is extensively shown to improve state-of-art algorithms. We provide a flexible, scikit-learn compatible package, which easily handles customized datafits and penalties.

Present-day atomistic simulations generate long trajectories of ever more complex systems. Analyzing these data, discovering metastable states, and uncovering their nature is becoming increasingly challenging. In this paper, we first use the variational approach to conformation dynamics to discover the slowest dynamical modes of the simulations. This allows the different metastable states of the system to be located and organized hierarchically. The physical descriptors that characterize metastable states are discovered by means of a machine learning method. We show in the cases of two proteins, Chignolin and Bovine Pancreatic Trypsin Inhibitor, how such analysis can be effortlessly performed in a matter of seconds. Another strength of our approach is that it can be applied to the analysis of both unbiased and biased simulations.

Holonomic functions play an essential role in Computer Algebra since they allow the application of many symbolic algorithms. Among all algorithmic attempts to find formulas for power series, the holonomic property remains the most important requirement to be satisfied by the function under consideration. The targeted functions mainly summarize that of meromorphic functions. However, expressions like $\tan(z)$, $z/(\exp(z)-1)$, $\sec(z)$, etc., particularly, reciprocals, quotients and compositions of holonomic functions, are generally not holonomic. Therefore their power series are inaccessible by the holonomic framework. From the mathematical dictionaries, one can observe that most of the known closed-form formulas of non-holonomic power series involve another sequence whose evaluation depends on some finite summations. In the case of $\tan(z)$ and $\sec(z)$ the corresponding sequences are the Bernoulli and Euler numbers, respectively. Thus providing a symbolic approach that yields complete representations when linear summations for power series coefficients of non-holonomic functions appear, might be seen as a step forward towards the representation of non-holonomic power series. By adapting the method of ansatz with undetermined coefficients, we build an algorithm that computes least-order quadratic differential equations with polynomial coefficients for a large class of non-holonomic functions. A differential equation resulting from this procedure is converted into a recurrence equation by applying the Cauchy product formula and rewriting powers into polynomials and derivatives into shifts. Finally, using enough initial values we are able to give normal form representations to characterize several non-holonomic power series and prove non-trivial identities. We discuss this algorithm and its implementation for Maple 2022.

This paper proposes an active learning algorithm for solving regression and classification problems based on inverse-distance weighting functions for selecting the feature vectors to query. The algorithm has the following features: (i) supports both pool-based and population-based sampling; (ii) is independent of the type of predictor used; (iii) can handle known and unknown constraints on the queryable feature vectors; and (iv) can run either sequentially, or in batch mode, depending on how often the predictor is retrained. The method's potential is shown in numerical tests on illustrative synthetic problems and real-world regression and classification datasets from the UCI repository. A Python implementation of the algorithm that we call IDEAL (Inverse-Distance based Exploration for Active Learning), is available at \url{//cse.lab.imtlucca.it/~bemporad/ideal}.