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The usage of Artificial Intelligence (AI) systems has increased exponentially, thanks to their ability to reduce the amount of data to be analyzed, the user efforts and preserving a high rate of accuracy. However, introducing this new…

Machine Learning · Computer Science 2024-02-13 Xabier Echeberria-Barrio , Mikel Gorricho , Selene Valencia , Francesco Zola

Recent applications of autonomous agents and robots, such as self-driving cars, scenario-based trainers, exploration robots, and service robots have brought attention to crucial trust-related challenges associated with the current…

Robotics · Computer Science 2022-09-26 Fatai Sado , Chu Kiong Loo , Wei Shiung Liew , Matthias Kerzel , Stefan Wermter

Heterogeneous network data with rich nodal information become increasingly prevalent across multidisciplinary research, yet accurately modeling complex nodal heterogeneity and simultaneously selecting influential nodal attributes remains an…

Methodology · Statistics 2026-04-14 Zhaoyu Xing , Xiufan Yu

Deep neural networks (DNNs) achieve state-of-the-art performance on many tasks, but this often requires increasingly larger model sizes, which in turn leads to more complex internal representations. Explainability techniques (XAI) have made…

Machine Learning · Computer Science 2026-01-30 Tom Pelletreau-Duris , Ruud van Bakel , Michael Cochez

Artificial intelligence is creating one of the biggest revolution across technology driven application fields. For the finance sector, it offers many opportunities for significant market innovation and yet broad adoption of AI systems…

Risk Management · Quantitative Finance 2022-12-07 Marc Wildi , Branka Hadji Misheva

The rapid rise of Generative AI (GenAI) tools has sparked debate over their role in complementing or replacing human workers across job contexts. We present a mathematical framework that models jobs, workers, and worker-job fit, introducing…

Artificial Intelligence · Computer Science 2025-06-02 L. Elisa Celis , Lingxiao Huang , Nisheeth K. Vishnoi

Generative Artificial Intelligence (GenAI) models such as LLMs, GPTs, and Diffusion Models have recently gained widespread attention from both the research and the industrial communities. This survey explores their application in network…

Networking and Internet Architecture · Computer Science 2025-04-14 Giampaolo Bovenzi , Francesco Cerasuolo , Domenico Ciuonzo , Davide Di Monda , Idio Guarino , Antonio Montieri , Valerio Persico , Antonio Pescapè

Explainable artificial intelligence (XAI) methods shed light on the predictions of machine learning algorithms. Several different approaches exist and have already been applied in climate science. However, usually missing ground truth…

Machine Learning · Computer Science 2024-03-25 Philine Bommer , Marlene Kretschmer , Anna Hedström , Dilyara Bareeva , Marina M. -C. Höhne

We introduce KiNetX, a fully automated meta-algorithm for the kinetic analysis of complex chemical reaction networks derived from semi-accurate but efficient electronic structure calculations. It is designed to (i) accelerate the automated…

Chemical Physics · Physics 2019-01-11 Jonny Proppe , Markus Reiher

Generative Artificial Intelligence (GenAI) tools and models have the potential to re-shape educational needs, norms, practices, and policies in all sectors of engineering education. Empirical data, rather than anecdata and assumptions, on…

Human-Computer Interaction · Computer Science 2025-03-07 Jesan Ahammed Ovi , Gabe Fierro , C. Estelle Smith

Prototype models are an important method for explainable artificial intelligence (XAI) and interpretable machine learning. In this paper, we perform an in-depth analysis of a set of prominent prototype models including ProtoPNet, ProtoPool…

Machine Learning · Computer Science 2025-11-24 Philipp Schlinge , Steffen Meinert , Martin Atzmueller

Deep neural networks like PhaseNet show high accuracy in detecting microseismic events, but their black-box nature is a concern in critical applications. We apply Explainable Artificial Intelligence (XAI) techniques, such as…

Machine Learning · Computer Science 2026-04-10 Ayrat Abdullin , Denis Anikiev , Umair Bin Waheed

Explainable Artificial Intelligence (XAI) is a rising field in AI. It aims to produce a demonstrative factor of trust, which for human subjects is achieved through communicative means, which Machine Learning (ML) algorithms cannot solely…

Machine Learning · Computer Science 2021-03-09 Jamie Andrew Duell

Machine-learning models in chemistry - when based on descriptors of atoms embedded within molecules - face essential challenges in transferring the quality of predictions of local electronic structures and their associated properties across…

Chemical Physics · Physics 2024-09-27 Frederik Ø. Kjeldal , Janus J. Eriksen

The majority of data-driven wireless research leans heavily on discriminative AI (DAI) that requires vast real-world datasets. Unlike the DAI, Generative AI (GenAI) pertains to generative models (GMs) capable of discerning the underlying…

Networking and Internet Architecture · Computer Science 2024-03-01 Abdulkadir Celik , Ahmed M. Eltawil

Explainable artificial intelligence (XAI) is an emerging new domain in which a set of processes and tools allow humans to better comprehend the decisions generated by black box models. However, most of the available XAI tools are often…

Machine Learning · Computer Science 2021-07-22 Zoumpolia Dikopoulou , Serafeim Moustakidis , Patrik Karlsson

Neural-network-based machine learning interatomic potentials have emerged as powerful tools for predicting atomic energies and forces, enabling accurate and efficient simulations in atomistic modeling. A key limitation of traditional deep…

Chemical Physics · Physics 2025-09-24 Riccardo Farris , Emanuele Telari , Nongnuch Artrith , Konstantin Neyman , Albert Bruix

Time-dependent reliability analysis of nonlinear dynamical systems under stochastic excitations is a critical yet computationally demanding task. Conventional approaches, such as Monte Carlo simulation, necessitate repeated evaluations of…

Machine Learning · Statistics 2026-03-24 Shailesh Garg , Souvik Chakraborty

Recurrent neural networks have been widely used to generate millions of de novo molecules in a known chemical space. These deep generative models are typically setup with LSTM or GRU units and trained with canonical SMILEs. In this study,…

Machine Learning · Computer Science 2019-09-12 Ruud van Deursen , Peter Ertl , Igor V. Tetko , Guillaume Godin

Explainable artificial intelligence (XAI) is an important area in the AI community, and interpretability is crucial for building robust and trustworthy AI models. While previous work has explored model-level and instance-level explainable…

Machine Learning · Computer Science 2025-12-05 Xudong Wang , Ziheng Sun , Chris Ding , Jicong Fan