The success of machine learning, particularly in supervised settings, has led to numerous attempts to apply it in adversarial settings such as spam and malware detection. The core challenge in this class of applications is that adversaries are not static data generators, but make a deliberate effort to evade the classifiers deployed to detect them. We investigate both the problem of modeling the objectives of such adversaries, as well as the algorithmic problem of accounting for rational, objective-driven adversaries. In particular, we demonstrate severe shortcomings of feature reduction in adversarial settings using several natural adversarial objective functions, an observation that is particularly pronounced when the adversary is able to substitute across similar features (for example, replace words with synonyms or replace letters in words). We offer a simple heuristic method for making learning more robust to feature cross-substitution attacks. We then present a more general approach based on mixed-integer linear programming with constraint generation, which implicitly trades off overfitting and feature selection in an adversarial setting using a sparse regularizer along with an evasion model. Our approach is the first method for combining an adversarial classification algorithm with a very general class of models of adversarial classifier evasion. We show that our algorithmic approach significantly outperforms state-of-the-art alternatives.

We develop a scoring and classification procedure based on the PAC-Bayesian approach and the AUC (Area Under Curve) criterion. We focus initially on the class of linear score functions. We derive PAC-Bayesian non-asymptotic bounds for two types of prior for the score parameters: a Gaussian prior, and a spike-and-slab prior; the latter makes it possible to perform feature selection. One important advantage of our approach is that it is amenable to powerful Bayesian computational tools. We derive in particular a Sequential Monte Carlo algorithm, as an efficient method which may be used as a gold standard, and an Expectation-Propagation algorithm, as a much faster but approximate method. We also extend our method to a class of non-linear score functions, essentially leading to a nonparametric procedure, by considering a Gaussian process prior.

Modern applications in sensitive domains such as biometrics and medicine frequently require the use of non-decomposable loss functions such as precision@k, F-measure etc. Compared to point loss functions such as hinge-loss, these offer much more fine grained control over prediction, but at the same time present novel challenges in terms of algorithm design and analysis. In this work we initiate a study of online learning techniques for such non-decomposable loss functions with an aim to enable incremental learning as well as design scalable solvers for batch problems. To this end, we propose an online learning framework for such loss functions. Our model enjoys several nice properties, chief amongst them being the existence of efficient online learning algorithms with sublinear regret and online to batch conversion bounds. Our model is a provable extension of existing online learning models for point loss functions.

We present a theoretical analysis of F -measures for binary, multiclass and multilabel classification. These performance measures are non-linear, but in many scenarios they are pseudo-linear functions of the per-class false negative/false positive rate. Based on this observation, we present a general reduction of F - measure maximization to cost-sensitive classification with unknown costs. We then propose an algorithm with provable guarantees to obtain an approximately optimal classifier for the F -measure by solving a series of cost-sensitive classification problems. The strength of our analysis is to be valid on any dataset and any class of classifiers, extending the existing theoretical results on F -measures, which are asymptotic in nature. We present numerical experiments to illustrate the relative importance of cost asymmetry and thresholding when learning linear classifiers on various F -measure optimization tasks.

Even with the advent of more sophisticated, data-hungry methods, boosted decision trees remain extraordinarily successful for fast rigid object detection, achieving top accuracy on numerous datasets. While effective, most boosted detectors use decision trees with orthogonal (single feature) splits, and the topology of the resulting decision boundary may not be well matched to the natural topology of the data. Given highly correlated data, decision trees with oblique (multiple feature) splits can be effective. Use of oblique splits, however, comes at considerable computational expense. Inspired by recent work on discriminative decorrelation of HOG features, we instead propose an efficient feature transform that removes correlations in local neighborhoods. The result is an overcomplete but locally decorrelated representation ideally suited for use with orthogonal decision trees. In fact, orthogonal trees with our locally decorrelated features outperform oblique trees trained over the original features at a fraction of the computational cost. The overall improvement in accuracy is dramatic: on the Caltech Pedestrian Dataset, we reduce false positives nearly tenfold over the previous state-of-the-art.

We present the Bayesian Case Model (BCM), a general framework for Bayesian case-based reasoning (CBR) and prototype classification and clustering. BCM brings the intuitive power of CBR to a Bayesian generative framework. The BCM learns prototypes, the "quintessential" observations that best represent clusters in a dataset, by performing joint inference on cluster labels, prototypes and important features. Simultaneously, BCM pursues sparsity by learning subspaces, the sets of features that play important roles in the characterization of the prototypes. The prototype and subspace representation provides quantitative benefits in interpretability while preserving classification accuracy. Human subject experiments verify statistically significant improvements to participants' understanding when using explanations produced by BCM, compared to those given by prior art.

Learning a classifier from positive and unlabeled data is an important class of classification problems that are conceivable in many practical applications. In this paper, we first show that this problem can be solved by cost-sensitive learning between positive and unlabeled data. We then show that convex surrogate loss functions such as the hinge loss may lead to a wrong classification boundary due to an intrinsic bias, but the problem can be avoided by using non-convex loss functions such as the ramp loss. We next analyze the excess risk when the class prior is estimated from data, and show that the classification accuracy is not sensitive to class prior estimation if the unlabeled data is dominated by the positive data (this is naturally satisfied in inlier-based outlier detection because inliers are dominant in the unlabeled dataset). Finally, we provide generalization error bounds and show that, for an equal number of labeled and unlabeled samples, the generalization error of learning only from positive and unlabeled samples is no worse than 2 2 times the fully supervised case. These theoretical findings are also validated through experiments.

Internet of things (IoT) networks, boosted by 6G technology, are transforming various industries. However, their widespread adoption introduces significant security risks, particularly in detecting rare but potentially damaging cyber-attacks. This makes the development of robust IDS crucial for monitoring network traffic and ensuring their safety. Traditional IDS often struggle with detecting rare attacks due to severe class imbalances in IoT data. In this paper, we propose a novel two-stage system called conditional tabular generative synthetic minority data generation with deep neural network (CTGSM-DNN). In the first stage, a conditional tabular generative adversarial network (CTGAN) is employed to generate synthetic data for rare attack classes. In the second stage, the SMOTEENN method is applied to improve dataset quality. The full study was conducted using the CSE-CIC-IDS2018 dataset, and we assessed the performance of the proposed IDS using different evaluation metrics. The experimental results demonstrated the effectiveness of the proposed multiclass classifier, achieving an overall accuracy of 99.90% and 80% accuracy in detecting rare attacks.

We developed the Enhanced Transformer for Health Outcome Simulation (ETHOS), an AI model that tokenizes patient health timelines (PHTs) from EHRs. ETHOS predicts future PHTs using transformer-based architectures. The Adaptive Risk Estimation System (ARES) employs ETHOS to compute dynamic and personalized risk probabilities for clinician-defined critical events. ARES incorporates a personalized explainability module that identifies key clinical factors influencing risk estimates for individual patients. ARES was evaluated on the MIMIC-IV v2.2 dataset in emergency department (ED) settings, benchmarking its performance against traditional early warning systems and machine learning models. We processed 299,721 unique patients from MIMIC-IV into 285,622 PHTs, with 60% including hospital admissions. The dataset contained over 357 million tokens. ETHOS outperformed benchmark models in predicting hospital admissions, ICU admissions, and prolonged hospital stays, achieving superior AUC scores. ETHOS-based risk estimates demonstrated robustness across demographic subgroups with strong model reliability, confirmed via calibration curves. The personalized explainability module provides insights into patient-specific factors contributing to risk. ARES, powered by ETHOS, advances predictive healthcare AI by providing dynamic, real-time, and personalized risk estimation with patient-specific explainability to enhance clinician trust. Its adaptability and superior accuracy position it as a transformative tool for clinical decision-making, potentially improving patient outcomes and resource allocation in emergency and inpatient settings. We release the full code at github.com/ipolharvard/ethos-ares to facilitate future research.

Discovery of high-performance materials and molecules requires identifying extremes with property values that fall outside the known distribution. Therefore, the ability to extrapolate to out-of-distribution (OOD) property values is critical for both solid-state materials and molecular design. Our objective is to train predictor models that extrapolate zero-shot to higher ranges than in the training data, given the chemical compositions of solids or molecular graphs and their property values. We propose using a transductive approach to OOD property prediction, achieving improvements in prediction accuracy. In particular, the True Positive Rate (TPR) of OOD classification of materials and molecules improved by 3x and 2.5x, respectively, and precision improved by 2x and 1.5x compared to non-transductive baselines. Our method leverages analogical input-target relations in the training and test sets, enabling generalization beyond the training target support, and can be applied to any other material and molecular tasks.