Most machine learning algorithms are configured by one or several hyperparameters that must be carefully chosen and often considerably impact performance. To avoid a time consuming and unreproducible manual trial-and-error process to find well-performing hyperparameter configurations, various automatic hyperparameter optimization (HPO) methods, e.g., based on resampling error estimation for supervised machine learning, can be employed. After introducing HPO from a general perspective, this paper reviews important HPO methods such as grid or random search, evolutionary algorithms, Bayesian optimization, Hyperband and racing. It gives practical recommendations regarding important choices to be made when conducting HPO, including the HPO algorithms themselves, performance evaluation, how to combine HPO with ML pipelines, runtime improvements, and parallelization.

In the agricultural sector, the COVID-19 threatens to lead to a severe food security crisis in the region, with disruptions in the food supply chain and agricultural production expected to contract between 2.6% and 7%. From the food crop production side, the travel bans and border closures, the late reception and the use of agricultural inputs such as imported seeds, fertilizers, and pesticides could lead to poor food crop production performances. Another layer of disruption introduced by the mobility restriction measures is the scarcity of agricultural workers, mainly seasonal workers. The lockdown measures and border closures limit seasonal workers' availability to get to the farm on time for planting and harvesting activities. Moreover, most of the imported agricultural inputs travel by air, which the pandemic has heavily impacted. Such transportation disruptions can also negatively affect the food crop production system. This chapter assesses food crop production levels in 2020 -- before the harvesting period -- in all African regions and four staples such as maize, cassava, rice, and wheat. The production levels are predicted using the combination of biogeophysical remote sensing data retrieved from satellite images and machine learning artificial neural networks (ANNs) technique. The remote sensing products are used as input variables and the ANNs as the predictive modeling framework. The input remote sensing products are the Normalized Difference Vegetation Index (NDVI), the daytime Land Surface Temperature (LST), rainfall data, and agricultural lands' Evapotranspiration (ET). The output maps and data are made publicly available on a web-based platform, AAgWa (Africa Agriculture Watch, www.aagwa.org), to facilitate access to such information to policymakers, deciders, and other stakeholders.

As the Chemistry-Kayak (affectionately known as the ChemYak) swept over the Arctic estuary waters, Victoria Preston was glued to a monitor in a boat nearby, watching as the robot's sensors captured new data. She and her team had spent weeks preparing for this deployment. With only a week to work on-site, they were making use of the long summer days to collect thousands of observations of a hypothesized chemical anomaly associated with the annual ice-cover retreat. The robot moved up and down the stream, using its chemical sensors to detect the composition of the flowing water. Its many measurements revealed a short-lived but massive influx of greenhouse gases in the water during the annual "flushing" of the estuary as ice thawed and receded.

Abbreviation is Artificial Intelligence on a digital globe background. A power plant that will run on "artificial intelligence" is about to get underway in West Africa. The joint venture between Swiss-based Xcell Security House and Finance and U.S.-based Beyond Limits will embed intelligence and awareness into the operations -- something that will create more efficiencies, greater productivity, and increased environmental protections. When ordinary people hear about artificial intelligence -- AI for short -- they immediately think about how machines will replace humans. But as the experts explained to this reporter, AI is meant to eliminate "mundane activities" so that those running heavy industrial operations can solve problems and improve performance, which translates into healthier bottom lines.

Generalization is a central challenge for the deployment of reinforcement learning (RL) systems in the real world. In this paper, we show that the sequential structure of the RL problem necessitates new approaches to generalization beyond the well-studied techniques used in supervised learning. While supervised learning methods can generalize effectively without explicitly accounting for epistemic uncertainty, we show that, perhaps surprisingly, this is not the case in RL. We show that generalization to unseen test conditions from a limited number of training conditions induces implicit partial observability, effectively turning even fully-observed MDPs into POMDPs. Informed by this observation, we recast the problem of generalization in RL as solving the induced partially observed Markov decision process, which we call the epistemic POMDP. We demonstrate the failure modes of algorithms that do not appropriately handle this partial observability, and suggest a simple ensemble-based technique for approximately solving the partially observed problem. Empirically, we demonstrate that our simple algorithm derived from the epistemic POMDP achieves significant gains in generalization over current methods on the Procgen benchmark suite.

Regression and interpolation with Gaussian processes, or kriging, is a popular statistical tool for non-parametric function estimation, originating from geostatistics and time series analysis, and later adopted in many other areas such as machine learning and the design and analysis of computer experiments (see, e.g., Stein, 1999; Santner et al., 2003; Rasmussen and Williams, 2006, and references therein). It is widely used for constructing fast approximations of time-consuming computer models, with applications to calibration and validation (Kennedy and O'Hagan, 2001; Bayarri et al., 2007), engineering design (Jones et al., 1998; Forrester et al., 2008), Bayesian inference (Calderhead et al., 2009; Wilkinson, 2014), and the optimization of machine learning algorithms (Bergstra et al., 2011)--to name but a few. A Gaussian process (GP) prior is characterized by its mean and covariance functions. They are usually chosen within parametric families (for instance, constant or linear mean functions, and Matérn covariance functions), which transfers the problem of choosing the mean and covariance functions to that of selecting parameters. The selection is most often carried out by optimization of a criterion that measures the goodness of fit of the predictive distributions, and a variety of such criteria--the likelihood function, the leave-one-out (LOO) squared-predictionerror criterion (hereafter denoted by LOO-SPE), and others--is available from the literature.

We present a winning method of the IEEE DataPort Competition on Day-Ahead Electricity Demand Forecasting: Post-COVID Paradigm. The day-ahead load forecasting approach is based on online forecast combination of multiple point prediction models. It contains four steps: i) data cleaning and preprocessing, ii) a holiday adjustment procedure, iii) training of individual forecasting models, iv) forecast combination by smoothed Bernstein Online Aggregation (BOA). The approach is flexible and can quickly adopt to new energy system situations as they occurred during and after COVID-19 shutdowns. The pool of individual prediction models ranges from rather simple time series models to sophisticated models like generalized additive models (GAMs) and high-dimensional linear models estimated by lasso. They incorporate autoregressive, calendar and weather effects efficiently. All steps contain novel concepts that contribute to the excellent forecasting performance of the proposed method. This holds particularly for the holiday adjustment procedure and the fully adaptive smoothed BOA approach.

Data-driven methods based on machine learning have the potential to accelerate analysis of atomic structures. However, machine learning models can produce overconfident predictions and it is therefore crucial to detect and handle uncertainty carefully. Here, we extend a message passing neural network designed specifically for predicting properties of molecules and materials with a calibrated probabilistic predictive distribution. The method presented in this paper differs from the previous work by considering both aleatoric and epistemic uncertainty in a unified framework, and by re-calibrating the predictive distribution on unseen data. Through computer experiments, we show that our approach results in accurate models for predicting molecular formation energies with calibrated uncertainty in and out of the training data distribution on two public molecular benchmark datasets, QM9 and PC9. The proposed method provides a general framework for training and evaluating neural network ensemble models that are able to produce accurate predictions of properties of molecules with calibrated uncertainty.

Time series forecasting is an important problem across many domains, playing a crucial role in multiple real-world applications. In this paper, we propose a forecasting architecture that combines deep autoregressive models with a Spectral Attention (SA) module, which merges global and local frequency domain information in the model's embedded space. By characterizing in the spectral domain the embedding of the time series as occurrences of a random process, our method can identify global trends and seasonality patterns. Two spectral attention models, global and local to the time series, integrate this information within the forecast and perform spectral filtering to remove time series's noise. The proposed architecture has a number of useful properties: it can be effectively incorporated into well-know forecast architectures, requiring a low number of parameters and producing interpretable results that improve forecasting accuracy. We test the Spectral Attention Autoregressive Model (SAAM) on several well-know forecast datasets, consistently demonstrating that our model compares favorably to state-of-the-art approaches.

Abbreviation is Artificial Intelligence on a digital globe background. A power plant that will run on "artificial intelligence" is about to get underway in West Africa. The joint venture between Swiss-based Xcell Security House and Finance and U.S.-based Beyond Limits will embed intelligence and awareness into the operations -- something that will create more efficiencies, greater productivity, and increased environmental protections. When ordinary people hear about artificial intelligence -- AI for short -- they immediately think about how machines will replace humans. But as the experts explained to this reporter, AI is meant to eliminate "mundane activities" so that those running heavy industrial operations can solve problems and improve performance, which translates into healthier bottom lines.