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Machine learning (ML) models are increasingly being used in metrology applications. However, for ML models to be credible in a metrology context they should be accompanied by principled uncertainty quantification. This paper addresses the…

Machine Learning · Computer Science 2024-05-09 Andrew Thompson

Sensitivity analysis is an effective tool for systematically identifying specific perturbations in parameters that have significant effects on the behavior of a given biosystem, at the scale investigated. In this work, using a…

Quantitative Methods · Quantitative Biology 2007-12-04 Zhihui Wang , Christina M. Birch , Thomas S. Deisboeck

Functional data analysis is proved to be useful in many scientific applications. The physical process is observed as curves and often there are several curves observed due to multiple subjects, providing the replicates in statistical sense.…

Methodology · Statistics 2018-01-30 Tapabrata Maiti , Abolfazl Safikhani , Ping-Shou Zhong

The widespread adoption of machine learning surrogate models has significantly improved the scale and complexity of systems and processes that can be explored accurately and efficiently using atomistic modeling. However, the inherently…

Chemical Physics · Physics 2025-03-13 Federico Grasselli , Sanggyu Chong , Venkat Kapil , Silvia Bonfanti , Kevin Rossi

In recent years, Large Language Models (LLMs) have become fundamental to a broad spectrum of artificial intelligence applications. As the use of LLMs expands, precisely estimating the uncertainty in their predictions has become crucial.…

Artificial Intelligence · Computer Science 2024-10-29 Mohammad Beigi , Sijia Wang , Ying Shen , Zihao Lin , Adithya Kulkarni , Jianfeng He , Feng Chen , Ming Jin , Jin-Hee Cho , Dawei Zhou , Chang-Tien Lu , Lifu Huang

Multi-agent debate (MAD) systems improve LLM reasoning through iterative deliberation, but remain vulnerable to debate collapse, a failure type where final agent decisions are compromised on erroneous reasoning. Existing methods lack…

Multiagent Systems · Computer Science 2026-02-10 Luoxi Tang , Yuqiao Meng , Joseph Costa , Yingxue Zhang , Muchao Ye , Zhaohan Xi

Sensitivity methods for the analysis of the outputs of discrete Bayesian networks have been extensively studied and implemented in different software packages. These methods usually focus on the study of sensitivity functions and on the…

Artificial Intelligence · Computer Science 2016-07-05 Manuele Leonelli , Christiane Görgen , Jim Q. Smith

In safety-critical applications, language models should be able to characterize their uncertainty with meaningful probabilities. Many uncertainty quantification approaches require supervised data; however, finding suitable unseen…

Computation and Language · Computer Science 2026-05-14 Sophia Hager , Simon Zeng , Nicholas Andrews

Agent-based modeling and simulation is a useful method to study biological phenomena in a wide range of fields, from molecular biology to ecology. Since there is currently no agreed-upon standard way to specify such models it is not always…

Quantitative Methods · Quantitative Biology 2010-10-14 Franziska Hinkelmann , David Murrugarra , Abdul Salam Jarrah , Reinhard Laubenbacher

Attention mechanism is effective in both focusing the deep learning models on relevant features and interpreting them. However, attentions may be unreliable since the networks that generate them are often trained in a weakly-supervised…

Machine Learning · Statistics 2020-06-11 Jay Heo , Hae Beom Lee , Saehoon Kim , Juho Lee , Kwang Joon Kim , Eunho Yang , Sung Ju Hwang

Complex systems have interested researchers across a broad range of fields for many years and as computing has become more accesible and feasible, it is now possible to simulate aspects of these systems. A major point of research is how…

Multiagent Systems · Computer Science 2019-01-16 George Hassan-Coring

We tackle here a specific, still not widely addressed aspect, of AI robustness, which consists of seeking invariance / insensitivity of model performance to hidden factors of variations in the data. Towards this end, we employ a two step…

Machine Learning · Computer Science 2022-03-04 William Paul , Philippe Burlina

Handling missing data is a central challenge in data-driven analysis. Modern imputation methods not only aim for accurate reconstruction but also differ in how they represent and quantify uncertainty. Yet, the reliability and calibration of…

Databases · Computer Science 2025-11-27 Zarin Tahia Hossain , Mostafa Milani

Machine learning models have emerged as a very effective strategy to sidestep time-consuming electronic-structure calculations, enabling accurate simulations of greater size, time scale and complexity. Given the interpolative nature of…

Computational hemodynamics models are becoming increasingly useful in the management and prognosis of complex, multiscale pathologies, including those attributed to the development of pulmonary vascular disease. However, diseases like…

Tissues and Organs · Quantitative Biology 2025-06-06 Mitchel J. Colebank , Naomi C. Chesler

Algorithmic transparency entails exposing system properties to various stakeholders for purposes that include understanding, improving, and contesting predictions. Until now, most research into algorithmic transparency has predominantly…

Machine learning (ML) offers promising new approaches to tackle complex problems and has been increasingly adopted in chemical and materials sciences. Broadly speaking, ML models employ generic mathematical functions and attempt to learn…

Materials Science · Physics 2024-08-21 Jin Dai , Santosh Adhikari , Mingjian Wen

This work addresses the problem of ensuring trustworthy computation in a linear consensus network. A solution to this problem is relevant for several tasks in multi-agent systems including motion coordination, clock synchronization, and…

Optimization and Control · Mathematics 2011-04-19 Fabio Pasqualetti , Antonio Bicchi , Francesco Bullo

Recently, a scalable approach to system analysis and controller synthesis for homogeneous multi-agent systems with Bernoulli distributed packet loss has been proposed. As a key result of that line of work, it was shown how to obtain upper…

Systems and Control · Electrical Eng. & Systems 2023-11-28 Christian Hespe , Herbert Werner

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
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