The rapid proliferation of data across diverse fields has accentuated the importance of accurate imputation for missing values. This task is crucial for ensuring data integrity and deriving meaningful insights. In response to this challenge, we present Xputer, a novel imputation tool that adeptly integrates Non-negative Matrix Factorization (NMF) with the predictive strengths of XGBoost. One of Xputer's standout features is its versatility: it supports zero imputation, enables hyperparameter optimization through Optuna, and allows users to define the number of iterations. For enhanced user experience and accessibility, we have equipped Xputer with an intuitive Graphical User Interface (GUI) ensuring ease of handling, even for those less familiar with computational tools. In performance benchmarks, Xputer not only rivals the computational speed of established tools such as IterativeImputer but also often outperforms them in terms of imputation accuracy. Furthermore, Xputer autonomously handles a diverse spectrum of data types, including categorical, continuous, and Boolean, eliminating the need for prior preprocessing. Given its blend of performance, flexibility, and user-friendly design, Xputer emerges as a state-of-the-art solution in the realm of data imputation.

Contrastive, self-supervised learning (SSL) is used to train a model that predicts cancer type from miRNA, mRNA or RPPA expression data. This model, a pretrained FT-Transformer, is shown to outperform XGBoost and CatBoost, standard benchmarks for tabular data, when labelled samples are scarce but the number of unlabelled samples is high. This is despite the fact that the datasets we use have $\mathcal{O}(10^{1})$ classes and $\mathcal{O}(10^{2})-\mathcal{O}(10^{4})$ features. After demonstrating the efficacy of our chosen method of self-supervised pretraining, we investigate SSL for multi-modal models. A late-fusion model is proposed, where each omics is passed through its own sub-network, the outputs of which are averaged and passed to the pretraining or downstream objective function. Multi-modal pretraining is shown to improve predictions from a single omics, and we argue that this is useful for datasets with many unlabelled multi-modal samples, but few labelled unimodal samples. Additionally, we show that pretraining each omics-specific module individually is highly effective. This enables the application of the proposed model in a variety of contexts where a large amount of unlabelled data is available from each omics, but only a few labelled samples.

We applied a data-driven approach that explores the usability of the NetMob 2023 dataset in modelling mobility patterns within an urban context. We combined the data with a highly suitable external source, the ENACT dataset, which provides a 1 km x 1km grid with estimates of the day and night population across Europe. We developed three sets of XGBoost models that predict the population in each 100m x 100m grid cell used in NetMob2023 based on the mobile data traffic of the 68 online services covered in the dataset, using the ENACT values as ground truth. The results suggest that the NetMob 2023 data can be useful for the estimation of the day and night population and grid cell level and can explain part of the dynamics of urban mobility.

To form precipitation datasets that are accurate and, at the same time, have high spatial densities, data from satellites and gauges are often merged in the literature. However, uncertainty estimates for the data acquired in this manner are scarcely provided, although the importance of uncertainty quantification in predictive modelling is widely recognized. Furthermore, the benefits that machine learning can bring to the task of providing such estimates have not been broadly realized and properly explored through benchmark experiments. The present study aims at filling in this specific gap by conducting the first benchmark tests on the topic. On a large dataset that comprises 15-year-long monthly data spanning across the contiguous United States, we extensively compared six learners that are, by their construction, appropriate for predictive uncertainty quantification. These are the quantile regression (QR), quantile regression forests (QRF), generalized random forests (GRF), gradient boosting machines (GBM), light gradient boosting machines (LightGBM) and quantile regression neural networks (QRNN). The comparison referred to the competence of the learners in issuing predictive quantiles at nine levels that facilitate a good approximation of the entire predictive probability distribution, and was primarily based on the quantile and continuous ranked probability skill scores. Three types of predictor variables (i.e., satellite precipitation variables, distances between a point of interest and satellite grid points, and elevation at a point of interest) were used in the comparison and were additionally compared with each other. This additional comparison was based on the explainable machine learning concept of feature importance. The results suggest that the order from the best to the worst of the learners for the task investigated is the following: LightGBM, QRF, GRF, GBM, QRNN and QR...

Quantifying the usefulness of individual features in random forests learning can greatly enhance its interpretability. Existing studies have shown that some popularly used feature importance measures for random forests suffer from the bias issue. In addition, there lack comprehensive size and power analyses for most of these existing methods. In this paper, we approach the problem via hypothesis testing, and suggest a framework of the self-normalized feature-residual correlation test (FACT) for evaluating the significance of a given feature in the random forests model with bias-resistance property, where our null hypothesis concerns whether the feature is conditionally independent of the response given all other features. Such an endeavor on random forests inference is empowered by some recent developments on high-dimensional random forests consistency. Under a fairly general high-dimensional nonparametric model setting with dependent features, we formally establish that FACT can provide theoretically justified feature importance test with controlled type I error and enjoy appealing power property. The theoretical results and finite-sample advantages of the newly suggested method are illustrated with several simulation examples and an economic forecasting application.

In recent years, bikesharing systems have become increasingly popular as affordable and sustainable micromobility solutions. Advanced mathematical models such as machine learning are required to generate good forecasts for bikeshare demand. To this end, this study proposes a machine learning modeling framework to estimate hourly demand in a large-scale bikesharing system. Two Extreme Gradient Boosting models were developed: one using data from before the COVID-19 pandemic (March 2019 to February 2020) and the other using data from during the pandemic (March 2020 to February 2021). Furthermore, a model interpretation framework based on SHapley Additive exPlanations was implemented. Based on the relative importance of the explanatory variables considered in this study, share of female users and hour of day were the two most important explanatory variables in both models. However, the month variable had higher importance in the pandemic model than in the pre-pandemic model.

This research project investigated the correlation between a 10 Hz time series of thermocouple temperatures and turbulent kinetic energy (TKE) computed from wind speeds collected from a small experimental prescribed burn at the Silas Little Experimental Forest in New Jersey, USA. The primary objective of this project was to explore the potential for using thermocouple temperatures as predictors for estimating the TKE produced by a wildland fire. Machine learning models, including Deep Neural Networks, Random Forest Regressor, Gradient Boosting, and Gaussian Process Regressor, are employed to assess the potential for thermocouple temperature perturbations to predict TKE values. Data visualization and correlation analyses reveal patterns and relationships between thermocouple temperatures and TKE, providing insight into the underlying dynamics. The project achieves high accuracy in predicting TKE by employing various machine learning models despite a weak correlation between the predictors and the target variable. The results demonstrate significant success, particularly from regression models, in accurately estimating the TKE. The research findings contribute to fire behavior and smoke modeling science, emphasizing the importance of incorporating machine learning approaches and identifying complex relationships between fine-scale fire behavior and turbulence. Accurate TKE estimation using thermocouple temperatures allows for the refinement of models that can inform decision-making in fire management strategies, facilitate effective risk mitigation, and optimize fire management efforts. This project highlights the valuable role of machine learning techniques in analyzing wildland fire data, showcasing their potential to advance fire research and management practices.

In response to the burgeoning global demand for seafood and the challenges of managing fish farms, we introduce an innovative IoT based environmental control system that integrates sensor technology and advanced machine learning decision support. Deploying a network of wireless sensors within the fish farm, we continuously collect real-time data on crucial environmental parameters, including water temperature, pH levels, humidity, and fish behavior. This data undergoes meticulous preprocessing to ensure its reliability, including imputation, outlier detection, feature engineering, and synchronization. At the heart of our system are four distinct machine learning algorithms: Random Forests predict and optimize water temperature and pH levels for the fish, fostering their health and growth; Support Vector Machines (SVMs) function as an early warning system, promptly detecting diseases and parasites in fish; Gradient Boosting Machines (GBMs) dynamically fine-tune the feeding schedule based on real-time environmental conditions, promoting resource efficiency and fish productivity; Neural Networks manage the operation of critical equipment like water pumps and heaters to maintain the desired environmental conditions within the farm. These machine learning algorithms collaboratively make real-time decisions to ensure that the fish farm's environmental conditions align with predefined specifications, leading to improved fish health and productivity while simultaneously reducing resource wastage, thereby contributing to increased profitability and sustainability. This research article showcases the power of data-driven decision support in fish farming, promising to meet the growing demand for seafood while emphasizing environmental responsibility and economic viability, thus revolutionizing the future of fish farming.

Landmines remain a threat to war-affected communities for years after conflicts have ended, partly due to the laborious nature of demining tasks. Humanitarian demining operations begin by collecting relevant information from the sites to be cleared, which is then analyzed by human experts to determine the potential risk of remaining landmines. In this paper, we propose RELand system to support these tasks, which consists of three major components. We (1) provide general feature engineering and label assigning guidelines to enhance datasets for landmine risk modeling, which are widely applicable to global demining routines, (2) formulate landmine presence as a classification problem and design a novel interpretable model based on sparse feature masking and invariant risk minimization, and run extensive evaluation under proper protocols that resemble real-world demining operations to show a significant improvement over the state-of-the-art, and (3) build an interactive web interface to suggest priority areas for demining organizations. We are currently collaborating with a humanitarian demining NGO in Colombia that is using our system as part of their field operations in two areas recently prioritized for demining.

We introduce TabRepo, a new dataset of tabular model evaluations and predictions. TabRepo contains the predictions and metrics of 1206 models evaluated on 200 classification and regression datasets. We illustrate the benefit of our dataset in multiple ways. First, we show that it allows to perform analysis such as comparing Hyperparameter Optimization against current AutoML systems while also considering ensembling at no cost by using precomputed model predictions. Second, we show that our dataset can be readily leveraged to perform transfer-learning. In particular, we show that applying standard transfer-learning techniques allows to outperform current state-of-the-art tabular systems in accuracy, runtime and latency. Machine learning on structured tabular data has a long history due to its wide range of practical applications. Significant progress has been achieved through improving supervised learning models, with key method landmarks including SVM (Hearst et al., 1998), Random Forest (Breiman, 2001) and Gradient Boosted Trees (Friedman, 2001). While the performance of base models is still being improved by a steady stream of research, their performance has saturated and state-of-the-art methods now leverage AutoML techniques (He et al., 2021) or new paradigms such as the pretraining of transformer models (Hollmann et al., 2022). AutoML solutions currently dominate tabular prediction benchmarks (Erickson et al., 2020; Gijsbers et al., 2022). Auto-Sklearn (Feurer et al., 2015a; 2020) was an early approach that proposed to select pipelines to ensemble from the Sklearn library and meta-learn the hyperparameter-optimization (HPO) with offline evaluations.