Machine learning (ML) is increasingly employed in real-world applications like medicine or economics, thus, potentially affecting large populations. However, ML models often do not perform homogeneously, leading to underperformance or, conversely, unusually high performance in certain subgroups (e.g., sex=female AND marital_status=married). Identifying such subgroups can support practical decisions on which subpopulation a model is safe to deploy or where more training data is required. However, an efficient and coherent framework for effective search is missing. Consequently, we introduce SubROC, an open-source, easy-to-use framework based on Exceptional Model Mining for reliably and efficiently finding strengths and weaknesses of classification models in the form of interpretable population subgroups. SubROC incorporates common evaluation measures (ROC and PR AUC), efficient search space pruning for fast exhaustive subgroup search, control for class imbalance, adjustment for redundant patterns, and significance testing. We illustrate the practical benefits of SubROC in case studies as well as in comparative analyses across multiple datasets.

This study investigates rare event detection on tabular data within binary classification. Standard techniques to handle class imbalance include SMOTE, which generates synthetic samples from the minority class. However, SMOTE is intrinsically designed for continuous input variables. In fact, despite SMOTE-NC-its default extension to handle mixed features (continuous and categorical variables)-very few works propose procedures to synthesize mixed features. On the other hand, many real-world classification tasks, such as in banking sector, deal with mixed features, which have a significant impact on predictive performances. To this purpose, we introduce MGS-GRF, an oversampling strategy designed for mixed features. This method uses a kernel density estimator with locally estimated full-rank covariances to generate continuous features, while categorical ones are drawn from the original samples through a generalized random forest. Empirically, contrary to SMOTE-NC, we show that MGS-GRF exhibits two important properties: (i) the coherence i.e. the ability to only generate combinations of categorical features that are already present in the original dataset and (ii) association, i.e. the ability to preserve the dependence between continuous and categorical features. We also evaluate the predictive performances of LightGBM classifiers trained on data sets, augmented with synthetic samples from various strategies. Our comparison is performed on simulated and public real-world data sets, as well as on a private data set from a leading financial institution. We observe that synthetic procedures that have the properties of coherence and association display better predictive performances in terms of various predictive metrics (PR and ROC AUC...), with MGS-GRF being the best one. Furthermore, our method exhibits promising results for the private banking application, with development pipeline being compliant with regulatory constraints.

Collusion is a complex phenomenon in which companies secretly collaborate to engage in fraudulent practices. This paper presents an innovative methodology for detecting and predicting collusion patterns in different national markets using neural networks (NNs) and graph neural networks (GNNs). GNNs are particularly well suited to this task because they can exploit the inherent network structures present in collusion and many other economic problems. Our approach consists of two phases: In Phase I, we develop and train models on individual market datasets from Japan, the United States, two regions in Switzerland, Italy, and Brazil, focusing on predicting collusion in single markets. In Phase II, we extend the models' applicability through zero-shot learning, employing a transfer learning approach that can detect collusion in markets in which training data is unavailable. This phase also incorporates out-of-distribution (OOD) generalization to evaluate the models' performance on unseen datasets from other countries and regions. In our empirical study, we show that GNNs outperform NNs in detecting complex collusive patterns. This research contributes to the ongoing discourse on preventing collusion and optimizing detection methodologies, providing valuable guidance on the use of NNs and GNNs in economic applications to enhance market fairness and economic welfare.

The success of drug discovery and development relies on the precise prediction of molecular activities and properties. While in silico molecular property prediction has shown remarkable potential, its use has been limited so far to assays for which large amounts of data are available. In this study, we use a fine-tuned large language model to integrate biological assays based on their textual information, coupled with Barlow Twins, a Siamese neural network using a novel self-supervised learning approach. This architecture uses both assay information and molecular fingerprints to extract the true molecular information. TwinBooster enables the prediction of properties of unseen bioassays and molecules by providing state-of-the-art zero-shot learning tasks. Remarkably, our artificial intelligence pipeline shows excellent performance on the FS-Mol benchmark. This breakthrough demonstrates the application of deep learning to critical property prediction tasks where data is typically scarce. By accelerating the early identification of active molecules in drug discovery and development, this method has the potential to help streamline the identification of novel therapeutics.

In the insurance industry detecting fraudulent claims is a critical task with a significant financial impact. A common strategy to identify fraudulent claims is looking for inconsistencies in the supporting evidence. However, this is a laborious and cognitively heavy task for human experts as insurance claims typically come with a plethora of data from different modalities (e.g. images, text and metadata). To overcome this challenge, the research community has focused on multimodal machine learning frameworks that can efficiently reason through multiple data sources. Despite recent advances in multimodal learning, these frameworks still suffer from (i) challenges of joint-training caused by the different characteristics of different modalities and (ii) overfitting tendencies due to high model complexity. In this work, we address these challenges by introducing a multimodal reasoning framework, AutoFraudNet (Automobile Insurance Fraud Detection Network), for detecting fraudulent auto-insurance claims. AutoFraudNet utilizes a cascaded slow fusion framework and state-of-the-art fusion block, BLOCK Tucker, to alleviate the challenges of joint-training. Furthermore, it incorporates a light-weight architectural design along with additional losses to prevent overfitting. Through extensive experiments conducted on a real-world dataset, we demonstrate: (i) the merits of multimodal approaches, when compared to unimodal and bimodal methods, and (ii) the effectiveness of AutoFraudNet in fusing various modalities to boost performance (over 3\% in PR AUC).

--This paper proposes an autoencoder (AE) that is used for improving the performance of once-class classifiers for the purpose of detecting anomalies. Traditional one-class classifiers (OCCs) perform poorly under certain conditions such as high-dimensionality and sparsity. Also, the size of the training set plays an important role on the performance of one-class classifiers. Autoencoders have been widely used for obtaining useful latent variables from high-dimensional datasets. In the proposed approach, the AE is capable of deriving meaningful features from high-dimensional datasets while doing data augmentation at the same time. The augmented data is used for training the OCC algorithms. The experimental results show that the proposed approach enhance the performance of OCC algorithms and also outperforms other well-known approaches.

Electronic medical records (EMRs) supports the development of machine learning algorithms for predicting disease incidence, patient response to treatment, and other healthcare events. But insofar most algorithms have been centralized, taking little account of the decentralized, non-identically independently distributed (non-IID), and privacy-sensitive characteristics of EMRs that can complicate data collection, sharing and learning. To address this challenge, we introduced a community-based federated machine learning (CBFL) algorithm and evaluated it on non-IID ICU EMRs. Our algorithm clustered the distributed data into clinically meaningful communities that captured similar diagnoses and geological locations, and learnt one model for each community. Throughout the learning process, the data was kept local on hospitals, while locally-computed results were aggregated on a server. Evaluation results show that CBFL outperformed the baseline FL algorithm in terms of Area Under the Receiver Operating Characteristic Curve (ROC AUC), Area Under the Precision-Recall Curve (PR AUC), and communication cost between hospitals and the server. Furthermore, communities' performance difference could be explained by how dissimilar one community was to others.

A ubiquitous task in processing electronic medical data is the assignment of standardized codes representing diagnoses and/or procedures to free-text documents such as medical reports. This is a difficult natural language processing task that requires parsing long, heterogeneous documents and selecting a set of appropriate codes from tens of thousands of possibilities---many of which have very few positive training samples. We present a deep learning system that advances the state of the art for the MIMIC-III dataset, achieving a new best micro F1-measure of 55.85\%, significantly outperforming the previous best result (Mullenbach et al. 2018). We achieve this through a number of enhancements, including two major novel contributions: multi-view convolutional channels, which effectively learn to adjust kernel sizes throughout the input; and attention regularization, mediated by natural-language code descriptions, which helps overcome sparsity for thousands of uncommon codes. These and other modifications are selected to address difficulties inherent to both automated coding specifically and deep learning generally. Finally, we investigate our accuracy results in detail to individually measure the impact of these contributions and point the way towards future algorithmic improvements.

The presence of bacteria or fungi in the bloodstream of patients is abnormal and can lead to life-threatening conditions. A computational model based on a bidirectional long short-term memory artificial neural network, is explored to assist doctors in the intensive care unit to predict whether examination of blood cultures of patients will return positive. As input it uses nine monitored clinical parameters, presented as time series data, collected from 2177 ICU admissions at the Ghent University Hospital. Our main goal is to determine if general machine learning methods and more specific, temporal models, can be used to create an early detection system. This preliminary research obtains an area of 71.95% under the precision recall curve, proving the potential of temporal neural networks in this context.