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Materials discovery and biomedical translation increasingly require models that can reason across composition, processing, structure, biological response, manufacturability, safety, and governance constraints. Existing materials and…

Measurements are fundamental to knowledge creation in science, enabling consistent sharing of findings and serving as the foundation for scientific discovery. As machine learning systems increasingly transform scientific fields, the…

Simulating physical systems is a core component of scientific computing, encompassing a wide range of physical domains and applications. Recently, there has been a surge in data-driven methods to complement traditional numerical simulations…

Open science movement has established reproducibility, transparency, and validation of research outputs as essential norms for conducting scientific research. It advocates for open access to research outputs, especially research data, to…

Despite large progress in Explainable and Safe AI, practitioners suffer from a lack of regulation and standards for AI safety. In this work we merge recent regulation efforts by the European Union and first proposals for AI guidelines with…

The Advancing Data Justice Research and Practice project aims to broaden understanding of the social, historical, cultural, political, and economic forces that contribute to discrimination and inequity in contemporary ecologies of data…

In computational materials science, mechanical properties are typically extracted from simulations by means of analysis routines that seek to mimic their experimental counterparts. However, simulated data often exhibit uncertainties that…

Medical foundation models show promise to learn broadly generalizable features from large, diverse datasets. This could be the base for reliable cross-modality generalization and rapid adaptation to new, task-specific goals, with only a few…

This paper proposes SCALES, a general framework that translates well-established fairness principles into a common representation based on the Constraint Markov Decision Process (CMDP). With the help of causal language, our framework can…

Seven years ago, researchers proposed a postprocessing method to equalize the error rates of a model across different demographic groups. The work launched hundreds of papers purporting to improve over the postprocessing baseline. We…

LLM-powered coding and development assistants have become prevalent to programmers' workflows. However, concerns about the trustworthiness of LLMs for code persist despite their widespread use. Much of the existing research focused on…

In this paper, an attempt is made to systematically discuss the development of simulation systems for manufacturing system design. General requirements on manufacturing simulators are formulated and a framework to address the requirements…

Recent research on ray tracing cores has explored repurposing these cores to solve non-graphical problems by reformulating them as geometric queries, leveraging the inherent parallelism of ray tracing. Although successful in specific cases,…

Studies show that neural networks, not unlike traditional programs, are subject to bugs, e.g., adversarial samples that cause classification errors and discriminatory instances that demonstrate the lack of fairness. Given that neural…

As machine learning systems become increasingly integrated into high-stakes decision-making processes, ensuring fairness in algorithmic outcomes has become a critical concern. Methods to mitigate bias typically fall into three categories:…

Decisions made by various Artificial Intelligence (AI) systems greatly influence our day-to-day lives. With the increasing use of AI systems, it becomes crucial to know that they are fair, identify the underlying biases in their…

Thanks to the great progress of machine learning in the last years, several Artificial Intelligence (AI) techniques have been increasingly moving from the controlled research laboratory settings to our everyday life. AI is clearly…

Background: Classifications in meta-research enable researchers to cope with an increasing body of scientific knowledge. They provide a framework for, e.g., distinguishing methods, reports, reproducibility, and evaluation in a knowledge…

In this paper we describe the first steps of a PhD programme, having the goal to develop a common meta-model for different software quality approaches and methods. We focus on presenting the structure of quality approaches emphasizing the…

The advent of data-driven science in the 21st century brought about the need for well-organized structured data and associated infrastructure able to facilitate the applications of Artificial Intelligence and Machine Learning. We present an…