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Deep neural networks (DNN) have been studied in various machine learning areas. For example, event-related potential (ERP) signal classification is a highly complex task potentially suitable for DNN as signal-to-noise ratio is low, and…
Social choice has become a foundational component of modern machine learning systems. From auctions and resource allocation to the alignment of large generative models, machine learning pipelines increasingly aggregate heterogeneous…
Calibrating deep neural models plays an important role in building reliable, robust AI systems in safety-critical applications. Recent work has shown that modern neural networks that possess high predictive capability are poorly calibrated…
Deep Bayesian neural network has aroused a great attention in recent years since it combines the benefits of deep neural network and probability theory. Because of this, the network can make predictions and quantify the uncertainty of the…
Machine learning (ML) systems are increasingly deployed in high-stakes domains where reliability is paramount. This thesis investigates how uncertainty estimation can enhance the safety and trustworthiness of ML, focusing on selective…
Classification, a heavily-studied data-driven machine learning task, drives an increasing number of prediction systems involving critical human decisions such as loan approval and criminal risk assessment. However, classifiers often…
In this paper, we leverage predictive uncertainty of deep neural networks to answer challenging questions material scientists usually encounter in machine learning based materials applications workflows. First, we show that by leveraging…
Discriminative linear models are a popular tool in machine learning. These can be generally divided into two types: The first is linear classifiers, such as support vector machines, which are well studied and provide state-of-the-art…
Deep learning takes advantage of large datasets and computationally efficient training algorithms to outperform other approaches at various machine learning tasks. However, imperfections in the training phase of deep neural networks make…
A principled approach to understand network structures is to formulate generative models. Given a collection of models, however, an outstanding key task is to determine which one provides a more accurate description of the network at hand,…
MOTIVATION: Proteins fold into complex structures that are crucial for their biological functions. Experimental determination of protein structures is costly and therefore limited to a small fraction of all known proteins. Hence, different…
Given an unsupervised outlier detection task, how should one select a detection algorithm as well as its hyperparameters (jointly called a model)? Unsupervised model selection is notoriously difficult, in the absence of hold-out validation…
Recent studies on multi-label image classification have focused on designing more complex architectures of deep neural networks such as the use of attention mechanisms and region proposal networks. Although performance gains have been…
Automated service classification plays a crucial role in service discovery, selection, and composition. Machine learning has been widely used for service classification in recent years. However, the performance of conventional machine…
We consider deep multivariate models for heterogeneous collections of random variables. In the context of computer vision, such collections may e.g. consist of images, segmentations, image attributes, and latent variables. When developing…
Many machine learning problems require the prediction of multi-dimensional labels. Such structured prediction models can benefit from modeling dependencies between labels. Recently, several deep learning approaches to structured prediction…
Subset selection for multiple linear regression aims to construct a regression model that minimizes errors by selecting a small number of explanatory variables. Once a model is built, various statistical tests and diagnostics are conducted…
Training of deep neural networks heavily depends on the data distribution. In particular, the networks easily suffer from class imbalance. The trained networks would recognize the frequent classes better than the infrequent classes. To…
Evolutionary algorithms, such as Differential Evolution, excel in solving real-parameter optimization challenges. However, the effectiveness of a single algorithm varies across different problem instances, necessitating considerable efforts…
Networks are a commonly used mathematical model to describe the rich set of interactions between objects of interest. Many clustering methods have been developed in order to partition such structures, among which several rely on underlying…