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Per-instance algorithm selection seeks to recommend, for a given problem instance and a given performance criterion, one or several suitable algorithms that are expected to perform well for the particular setting. The selection is classically done offline, using openly available information about the problem instance or features that are extracted from the instance during a dedicated feature extraction step. This ignores valuable information that the algorithms accumulate during the optimization process. In this work, we propose an alternative, online algorithm selection scheme which we coin per-run algorithm selection. In our approach, we start the optimization with a default algorithm, and, after a certain number of iterations, extract instance features from the observed trajectory of this initial optimizer to determine whether to switch to another optimizer. We test this approach using the CMA-ES as the default solver, and a portfolio of six different optimizers as potential algorithms to switch to. In contrast to other recent work on online per-run algorithm selection, we warm-start the second optimizer using information accumulated during the first optimization phase. We show that our approach outperforms static per-instance algorithm selection. We also compare two different feature extraction principles, based on exploratory landscape analysis and time series analysis of the internal state variables of the CMA-ES, respectively. We show that a combination of both feature sets provides the most accurate recommendations for our test cases, taken from the BBOB function suite from the COCO platform and the YABBOB suite from the Nevergrad platform.

The naive importance sampling (IS) estimator generally does not work well in examples involving simultaneous inference on several targets, as the importance weights can take arbitrarily large values, making the estimator highly unstable. In such situations, alternative multiple IS estimators involving samples from multiple proposal distributions are preferred. Just like the naive IS, the success of these multiple IS estimators crucially depends on the choice of the proposal distributions. The selection of these proposal distributions is the focus of this article. We propose three methods: (i) a geometric space filling approach, (ii) a minimax variance approach, and (iii) a maximum entropy approach. The first two methods are applicable to any IS estimator, whereas the third approach is described in the context of Doss's (2010) two-stage IS estimator. For the first method, we propose a suitable measure of 'closeness' based on the symmetric Kullback-Leibler divergence, while the second and third approaches use estimates of asymptotic variances of Doss's (2010) IS estimator and Geyer's (1994) reverse logistic regression estimator, respectively. Thus, when samples from the proposal distributions are obtained by running Markov chains, we provide consistent spectral variance estimators for these asymptotic variances. The proposed methods for selecting proposal densities are illustrated using various detailed examples.

Many recent state-of-the-art (SOTA) optical flow models use finite-step recurrent update operations to emulate traditional algorithms by encouraging iterative refinements toward a stable flow estimation. However, these RNNs impose large computation and memory overheads, and are not directly trained to model such stable estimation. They can converge poorly and thereby suffer from performance degradation. To combat these drawbacks, we propose deep equilibrium (DEQ) flow estimators, an approach that directly solves for the flow as the infinite-level fixed point of an implicit layer (using any black-box solver), and differentiates through this fixed point analytically (thus requiring $O(1)$ training memory). This implicit-depth approach is not predicated on any specific model, and thus can be applied to a wide range of SOTA flow estimation model designs. The use of these DEQ flow estimators allows us to compute the flow faster using, e.g., fixed-point reuse and inexact gradients, consumes $4\sim6\times$ times less training memory than the recurrent counterpart, and achieves better results with the same computation budget. In addition, we propose a novel, sparse fixed-point correction scheme to stabilize our DEQ flow estimators, which addresses a longstanding challenge for DEQ models in general. We test our approach in various realistic settings and show that it improves SOTA methods on Sintel and KITTI datasets with substantially better computational and memory efficiency.

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.

The best neural architecture for a given machine learning problem depends on many factors: not only the complexity and structure of the dataset, but also on resource constraints including latency, compute, energy consumption, etc. Neural architecture search (NAS) for tabular datasets is an important but under-explored problem. Previous NAS algorithms designed for image search spaces incorporate resource constraints directly into the reinforcement learning rewards. In this paper, we argue that search spaces for tabular NAS pose considerable challenges for these existing reward-shaping methods, and propose a new reinforcement learning (RL) controller to address these challenges. Motivated by rejection sampling, when we sample candidate architectures during a search, we immediately discard any architecture that violates our resource constraints. We use a Monte-Carlo-based correction to our RL policy gradient update to account for this extra filtering step. Results on several tabular datasets show TabNAS, the proposed approach, efficiently finds high-quality models that satisfy the given resource constraints.

Bayesian model selection provides a powerful framework for objectively comparing models directly from observed data, without reference to ground truth data. However, Bayesian model selection requires the computation of the marginal likelihood (model evidence), which is computationally challenging, prohibiting its use in many high-dimensional Bayesian inverse problems. With Bayesian imaging applications in mind, in this work we present the proximal nested sampling methodology to objectively compare alternative Bayesian imaging models for applications that use images to inform decisions under uncertainty. The methodology is based on nested sampling, a Monte Carlo approach specialised for model comparison, and exploits proximal Markov chain Monte Carlo techniques to scale efficiently to large problems and to tackle models that are log-concave and not necessarily smooth (e.g., involving l_1 or total-variation priors). The proposed approach can be applied computationally to problems of dimension O(10^6) and beyond, making it suitable for high-dimensional inverse imaging problems. It is validated on large Gaussian models, for which the likelihood is available analytically, and subsequently illustrated on a range of imaging problems where it is used to analyse different choices of dictionary and measurement model.

We propose a simple yet powerful extension of Bayesian Additive Regression Trees which we name Hierarchical Embedded BART (HE-BART). The model allows for random effects to be included at the terminal node level of a set of regression trees, making HE-BART a non-parametric alternative to mixed effects models which avoids the need for the user to specify the structure of the random effects in the model, whilst maintaining the prediction and uncertainty calibration properties of standard BART. Using simulated and real-world examples, we demonstrate that this new extension yields superior predictions for many of the standard mixed effects models' example data sets, and yet still provides consistent estimates of the random effect variances. In a future version of this paper, we outline its use in larger, more advanced data sets and structures.

In variable selection, a selection rule that prescribes the permissible sets of selected variables (called a "selection dictionary") is desirable due to the inherent structural constraints among the candidate variables. The methods that can incorporate such restrictions can improve model interpretability and prediction accuracy. Penalized regression can integrate selection rules by assigning the coefficients to different groups and then applying penalties to the groups. However, no general framework has been proposed to formalize selection rules and their applications. In this work, we establish a framework for structured variable selection that can incorporate universal structural constraints. We develop a mathematical language for constructing arbitrary selection rules, where the selection dictionary is formally defined. We show that all selection rules can be represented as a combination of operations on constructs, which can be used to identify the related selection dictionary. One may then apply some criteria to select the best model. We show that the theoretical framework can help to identify the grouping structure in existing penalized regression methods. In addition, we formulate structured variable selection into mixed-integer optimization problems which can be solved by existing software. Finally, we discuss the significance of the framework in the context of statistics.

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}.