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Counterfactual Explanations (CEs) help address the question: How can the factors that influence the prediction of a predictive model be changed to achieve a more favorable outcome from a user's perspective? Thus, they bear the potential to…
Predictor screening rules, which discard predictors before fitting a model, have had considerable impact on the speed with which sparse regression problems, such as the lasso, can be solved. In this paper we present a new screening rule for…
We introduce a universal sparse preconditioner that accelerates geometry optimisation and saddle point search tasks that are common in the atomic scale simulation of materials. Our preconditioner is based on the neighbourhood structure and…
Conformal prediction methods provide statistically rigorous marginal coverage guarantees for machine learning models, but such guarantees fail to account for algorithmic biases, thereby undermining fairness and trust. This paper introduces…
The goal of predictive sparse coding is to learn a representation of examples as sparse linear combinations of elements from a dictionary, such that a learned hypothesis linear in the new representation performs well on a predictive task.…
PDE-constrained optimization aims at finding optimal setups for partial differential equations so that relevant quantities are minimized. Including sparsity promoting terms in the formulation of such problems results in more practically…
This paper introduces the Nystr\"om PCG algorithm for solving a symmetric positive-definite linear system. The algorithm applies the randomized Nystr\"om method to form a low-rank approximation of the matrix, which leads to an efficient…
We address the slow convergence and poor stability of quasi-newton sequential quadratic programming (SQP) methods that is observed when solving experimental design problems, in particular when they are large. Our findings suggest that this…
This paper presents the sparsifying preconditioner for the time-harmonic Maxwell's equations in the integral formulation. Following the work on sparsifying preconditioner for the Lippmann-Schwinger equation, this paper generalizes that…
Label noise will degenerate the performance of deep learning algorithms because deep neural networks easily overfit label errors. Let X and Y denote the instance and clean label, respectively. When Y is a cause of X, according to which many…
Neural fields are a highly effective representation across visual computing. This work observes that fitting these fields is greatly improved by incorporating spatial stochasticity during training, and that this simple technique can replace…
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…
A preconditioning strategy is proposed for the iterative solve of large numbers of linear systems with parameter-dependent matrix and right-hand side which arise during the computation of solution statistics of stochastic elliptic partial…
Learning identifiable representations and models from low-level observations is helpful for an intelligent spacecraft to complete downstream tasks reliably. For temporal observations, to ensure that the data generating process is provably…
In this paper we consider linear systems with dense-matrices which arise from numerical solution of boundary integral equations. Such matrices can be well-approximated with $\mathcal{H}^2$-matrices. We propose several new preconditioners…
Statistical modeling can involve a tension between assumptions and statistical identification. The law of the observable data may not uniquely determine the value of a target parameter without invoking a key assumption, and, while…
We study a linear observation model with an unknown permutation called \textit{permuted/shuffled linear regression}, where responses and covariates are mismatched and the permutation forms a discrete, factorial-size parameter. The…
In this work, we address the efficient computation of parameterized systems of linear equations, with possible nonlinear parameter dependence. When the matrix is highly sensitive to the parameters, mean-based preconditioning might not be…
All scientific interpretations of statistical outputs depend on background (auxiliary) assumptions that are rarely delineated or explicitly interrogated. These include not only the usual modeling assumptions, but also deeper assumptions…
Models with a large number of latent variables are often used to fully utilize the information in big or complex data. However, they can be difficult to estimate using standard approaches, and variational inference methods are a popular…