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For graph classification tasks, many traditional kernel methods focus on measuring the similarity between graphs. These methods have achieved great success on resolving graph isomorphism problems. However, in some classification problems,…

This paper introduces mixed-integer optimization methods to solve regression problems that incorporate fairness metrics. We propose an exact formulation for training fair regression models. To tackle this computationally hard problem, we…

Machine learning algorithms have grown in sophistication over the years and are increasingly deployed for real-life applications. However, when using machine learning techniques in practical settings, particularly in high-risk applications…

Fairness in machine learning is crucial when individuals are subject to automated decisions made by models in high-stake domains. Organizations that employ these models may also need to satisfy regulations that promote responsible and…

Deep learning based on artificial neural networks is a powerful machine learning method that, in the last few years, has been successfully used to realize tasks, e.g., image classification, speech recognition, translation of languages,…

Multi-fidelity surrogate modeling aims to learn an accurate surrogate at the highest fidelity level by combining data from multiple sources. Traditional methods relying on Gaussian processes can hardly scale to high-dimensional data. Deep…

The availability of precise and accurate simulation is a limiting factor for interpreting and forecasting data in many fields of science and engineering. Often, one or more distinct simulation software applications are developed, each with…

Active multi-fidelity surrogate modeling is developed for multi-condition airfoil shape optimization to reduce high-fidelity CFD cost while retaining RANS-level accuracy. The framework couples a low-fidelity-informed Gaussian process…

Developing predictive modelling solutions for risk estimation is extremely challenging in health-care informatics. Risk estimation involves integration of heterogeneous clinical sources having different representation from different…

In comparison to classical shallow representation learning techniques, deep neural networks have achieved superior performance in nearly every application benchmark. But despite their clear empirical advantages, it is still not well…

Conformal prediction methods provide statistically rigorous marginal coverage guarantees for machine learning models, but such guarantees fail to account for algorithmic biases, thereby undermining fairness and trust. This paper introduces…

Various frameworks have been proposed to predict mechanical system responses by combining data from different fidelities for design optimization and uncertainty quantification as reviewed by Fern\'andez-Godino et al. and Peherstorfer et…

Semi-supervised multi-label feature selection has recently been developed to solve the curse of dimensionality problem in high-dimensional multi-label data with certain samples missing labels. Although many efforts have been made, most…

System reliability analysis aims at computing the probability of failure of an engineering system given a set of uncertain inputs and limit state functions. Active-learning solution schemes have been shown to be a viable tool but as of yet…

Deep learning models have been widely used during the last decade due to their outstanding learning and abstraction capacities. However, one of the main challenges any scientist has to face using deep learning models is to establish the…

The machine learning literature contains several constructions for prediction intervals that are intuitively reasonable but ultimately ad-hoc in that they do not come with provable performance guarantees. We present methods from the…

Standard training techniques for neural networks involve multiple sources of randomness, e.g., initialization, mini-batch ordering and in some cases data augmentation. Given that neural networks are heavily over-parameterized in practice,…

Machine learning is vulnerable to adversarial examples-inputs designed to cause models to perform poorly. However, it is unclear if adversarial examples represent realistic inputs in the modeled domains. Diverse domains such as networks and…

End-to-end learning has become a widely applicable and studied problem in training predictive ML models to be aware of their impact on downstream decision-making tasks. These end-to-end models often outperform traditional methods that…

As machine-learning models grow in size, their implementation requirements cannot be met by a single computer system. This observation motivates distributed settings, in which intermediate computations are performed across a network of…