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relentless is an open-source Python package that enables the optimization of objective functions computed using molecular dynamics simulations. It has a high-level, extensible interface for model parametrization; setting up, running, and…

Soft Condensed Matter · Physics 2024-08-07 Adithya N Sreenivasan , C. Levi Petix , Zachary M. Sherman , Michael P. Howard

With the availability of large databases and recent improvements in deep learning methodology, the performance of AI systems is reaching or even exceeding the human level on an increasing number of complex tasks. Impressive examples of this…

Artificial Intelligence · Computer Science 2017-08-29 Wojciech Samek , Thomas Wiegand , Klaus-Robert Müller

As the decisions made or influenced by machine learning models increasingly impact our lives, it is crucial to detect, understand, and mitigate unfairness. But even simply determining what "unfairness" should mean in a given context is…

Machine Learning · Computer Science 2020-10-16 Tom Begley , Tobias Schwedes , Christopher Frye , Ilya Feige

Recent advancements in Large Language Models (LLMs) have significantly enhanced interactions between users and models. These advancements concurrently underscore the need for rigorous safety evaluations due to the manifestation of social…

Computation and Language · Computer Science 2025-03-26 Dahyun Jung , Seungyoon Lee , Hyeonseok Moon , Chanjun Park , Heuiseok Lim

Modern data analytics underpinned by machine learning techniques has become a key enabler to the automation of data-led decision making. As an important branch of state-of-the-art data analytics, business process predictions are also faced…

Artificial Intelligence · Computer Science 2021-07-22 Chun Ouyang , Renuka Sindhgatta , Catarina Moreira

Current methods for evaluating large language models (LLMs) typically focus on high-level tasks such as text generation, without targeting a particular AI application. This approach is not sufficient for evaluating LLMs for Responsible AI…

Computation and Language · Computer Science 2025-10-24 Alicia Sagae , Chia-Jung Lee , Sandeep Avula , Brandon Dang , Vanessa Murdock

Creating fair AI systems is a complex problem that involves the assessment of context-dependent bias concerns. Existing research and programming libraries express specific concerns as measures of bias that they aim to constrain or mitigate.…

Machine Learning · Computer Science 2024-05-30 Emmanouil Krasanakis , Symeon Papadopoulos

Interpretability, trustworthiness, and usability are key considerations in high-stake security applications, especially when utilizing deep learning models. While these models are known for their high accuracy, they behave as black boxes in…

Calls for heightened consideration of fairness and accountability in algorithmically-informed public decisions---like taxation, justice, and child protection---are now commonplace. How might designers support such human values? We…

Computers and Society · Computer Science 2018-05-01 Michael Veale , Max Van Kleek , Reuben Binns

In recent years, the use of sophisticated statistical models that influence decisions in domains of high societal relevance is on the rise. Although these models can often bring substantial improvements in the accuracy and efficiency of…

Machine Learning · Computer Science 2021-04-13 Alfredo Carrillo , Luis F. Cantú , Alejandro Noriega

The field of machine learning has seen tremendous progress in recent years, with deep learning models delivering exceptional performance across a range of tasks. However, these models often come at the cost of interpretability, as they…

Machine Learning · Computer Science 2024-01-08 Shun Liu

Language Models (LMs) have significantly advanced natural language processing and enabled remarkable progress across diverse domains, yet their black-box nature raises critical concerns about the interpretability of their internal…

Computation and Language · Computer Science 2025-09-29 Avash Palikhe , Zichong Wang , Zhipeng Yin , Rui Guo , Qiang Duan , Jie Yang , Wenbin Zhang

Motivations for methods in explainable artificial intelligence (XAI) often include detecting, quantifying and mitigating bias, and contributing to making machine learning models fairer. However, exactly how an XAI method can help in…

Computation and Language · Computer Science 2022-06-09 Esma Balkir , Svetlana Kiritchenko , Isar Nejadgholi , Kathleen C. Fraser

Large Language Models (LLMs) have been observed to exhibit bias in numerous ways, potentially creating or worsening outcomes for specific groups identified by protected attributes such as sex, race, sexual orientation, or age. To help…

Computation and Language · Computer Science 2025-01-30 Dylan Bouchard , Mohit Singh Chauhan , David Skarbrevik , Viren Bajaj , Zeya Ahmad

Fairlearn is an open source project to help practitioners assess and improve fairness of artificial intelligence (AI) systems. The associated Python library, also named fairlearn, supports evaluation of a model's output across affected…

Machine Learning · Computer Science 2023-03-30 Hilde Weerts , Miroslav Dudík , Richard Edgar , Adrin Jalali , Roman Lutz , Michael Madaio

Many high-performing machine learning models are not interpretable. As they are increasingly used in decision scenarios that can critically affect individuals, it is necessary to develop tools to better understand their outputs. Popular…

Artificial Intelligence · Computer Science 2023-05-30 Laura State , Salvatore Ruggieri , Franco Turini

Artificial intelligence (AI) systems utilizing deep neural networks (DNNs) and machine learning (ML) algorithms are widely used for solving important problems in bioinformatics, biomedical informatics, and precision medicine. However,…

Quantitative Methods · Quantitative Biology 2023-02-24 Md. Rezaul Karim , Tanhim Islam , Oya Beyan , Christoph Lange , Michael Cochez , Dietrich Rebholz-Schuhmann , Stefan Decker

The recent advancements in Deep Learning models and techniques have led to significant strides in performance across diverse tasks and modalities. However, while the overall capabilities of models show promising growth, our understanding of…

Artificial Intelligence · Computer Science 2025-04-04 Erik Arakelyan

Reachability analysis is used to determine all possible states that a system acting under uncertainty may reach. It is a critical component to obtain guarantees of various safety-critical systems both for safety verification and controller…

Systems and Control · Electrical Eng. & Systems 2021-11-03 Jared Mejia , Alex Devonport , Murat Arcak

Explainability is motivated by the lack of transparency of black-box Machine Learning approaches, which do not foster trust and acceptance of Machine Learning algorithms. This also happens in the Predictive Process Monitoring field, where…

Artificial Intelligence · Computer Science 2025-07-25 Williams Rizzi , Marco Comuzzi , Chiara Di Francescomarino , Chiara Ghidini , Suhwan Lee , Fabrizio Maria Maggi , Alexander Nolte