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In many modern applications, including analysis of gene expression and text documents, the data are noisy, high-dimensional, and unordered--with no particular meaning to the given order of the variables. Yet, successful learning is often…

Methodology · Statistics 2008-07-25 Ann B. Lee , Boaz Nadler , Larry Wasserman

Uncertainty estimation bears the potential to make deep learning (DL) systems more reliable. Standard techniques for uncertainty estimation, however, come along with specific combinations of strengths and weaknesses, e.g., with respect to…

Machine Learning · Computer Science 2022-05-02 Joachim Sicking , Maram Akila , Jan David Schneider , Fabian Hüger , Peter Schlicht , Tim Wirtz , Stefan Wrobel

The classical algorithms for online learning and decision-making have the benefit of achieving the optimal performance guarantees, but suffer from computational complexity limitations when implemented at scale. More recent sophisticated…

Machine Learning · Computer Science 2022-10-19 Guanghui Wang , Zihao Hu , Vidya Muthukumar , Jacob Abernethy

Interpretability in machine learning (ML) is crucial for high stakes decisions and troubleshooting. In this work, we provide fundamental principles for interpretable ML, and dispel common misunderstandings that dilute the importance of this…

Machine Learning · Computer Science 2021-09-02 Cynthia Rudin , Chaofan Chen , Zhi Chen , Haiyang Huang , Lesia Semenova , Chudi Zhong

Active learning has long been a topic of study in machine learning. However, as increasingly complex and opaque models have become standard practice, the process of active learning, too, has become more opaque. There has been little…

Machine Learning · Statistics 2018-06-26 Richard L. Phillips , Kyu Hyun Chang , Sorelle A. Friedler

Datasets can be biased due to societal inequities, human biases, under-representation of minorities, etc. Our goal is to certify that models produced by a learning algorithm are pointwise-robust to potential dataset biases. This is a…

Machine Learning · Computer Science 2021-10-12 Anna P. Meyer , Aws Albarghouthi , Loris D'Antoni

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…

Materials Science · Physics 2021-04-26 Jize Zhang , Bhavya Kailkhura , T. Yong-Jin Han

Uncertainty quantification (UQ) is crucial for deploying machine learning models in high-stakes applications, where overconfident predictions can lead to serious consequences. An effective UQ method must balance computational efficiency…

Machine Learning · Computer Science 2026-02-23 Taeseong Yoon , Heeyoung Kim

An approach to improve network interpretability is via clusterability, i.e., splitting a model into disjoint clusters that can be studied independently. We find pretrained models to be highly unclusterable and thus train models to be more…

Machine Learning · Computer Science 2025-07-29 Satvik Golechha , Dylan Cope , Nandi Schoots

We present a novel approach for training deep neural networks in a Bayesian way. Classical, i.e. non-Bayesian, deep learning has two major drawbacks both originating from the fact that network parameters are considered to be deterministic.…

Machine Learning · Statistics 2019-03-11 Konstantin Posch , Jan Steinbrener , Jürgen Pilz

Despite widespread success in language understanding and generation, large language models (LLMs) exhibit unclear and often inconsistent behavior when faced with tasks that require probabilistic reasoning. In this work, we present the first…

Computation and Language · Computer Science 2025-09-29 Mobina Pournemat , Keivan Rezaei , Gaurang Sriramanan , Arman Zarei , Jiaxiang Fu , Yang Wang , Hamid Eghbalzadeh , Soheil Feizi

Many risk-sensitive applications require Machine Learning (ML) models to be interpretable. Attempts to obtain interpretable models typically rely on tuning, by trial-and-error, hyper-parameters of model complexity that are only loosely…

Machine Learning · Computer Science 2020-05-29 Marco Virgolin , Andrea De Lorenzo , Eric Medvet , Francesca Randone

Large language models (LLMs) often generate fluent but factually incorrect outputs, known as hallucinations, which undermine their reliability in real-world applications. While uncertainty estimation has emerged as a promising strategy for…

Machine Learning · Computer Science 2025-05-13 Pei-Fu Guo , Yun-Da Tsai , Shou-De Lin

The ability to interpret machine learning models has become increasingly important now that machine learning is used to inform consequential decisions. We propose an approach called model extraction for interpreting complex, blackbox…

Machine Learning · Computer Science 2018-03-14 Osbert Bastani , Carolyn Kim , Hamsa Bastani

Safety assurance is uncompromisable for safety-critical environments with the presence of drastic model uncertainties (e.g., distributional shift), especially with humans in the loop. However, incorporating uncertainty in safe learning will…

Machine Learning · Computer Science 2023-10-05 Alaa Eddine Chriat , Chuangchuang Sun

Reliable uncertainty quantification in deep neural networks is very crucial in safety-critical applications such as automated driving for trustworthy and informed decision-making. Assessing the quality of uncertainty estimates is…

Computer Vision and Pattern Recognition · Computer Science 2022-12-12 Neslihan Kose , Ranganath Krishnan , Akash Dhamasia , Omesh Tickoo , Michael Paulitsch

Dimensionality reduction and clustering techniques are frequently used to analyze complex data sets, but their results are often not easy to interpret. We consider how to support users in interpreting apparent cluster structure on scatter…

Machine Learning · Computer Science 2021-11-08 Xander Vankwikelberge , Bo Kang , Edith Heiter , Jefrey Lijffijt

One major impediment to the wider use of deep learning for clinical decision making is the difficulty of assigning a level of confidence to model predictions. Currently, deep Bayesian neural networks and sparse Gaussian processes are 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…

Machine Learning · Computer Science 2025-09-09 Stephan Rabanser

A machine-learning-based framework for constructing generator-level observables optimized for parameter extraction in particle physics analyses is introduced, referred to as the Optimal Observable Machine (OOM). Unfoldable differential…

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