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Designing novel materials that possess desired properties is a central need across many manufacturing industries. Driven by that industrial need, a variety of algorithms and tools have been developed that combine AI (machine learning and…

Computational Engineering, Finance, and Science · Computer Science 2020-01-27 Seiji Takeda , Toshiyuki Hama , Hsiang-Han Hsu , Toshiyuki Yamane , Koji Masuda , Victoria A. Piunova , Dmitry Zubarev , Jed Pitera , Daniel P. Sanders , Daiju Nakano

A quantum trajectory describes the evolution of a quantum system undergoing indirect measurement. In the discrete-time setting, the state of the system is updated by applying Kraus operators according to the measurement results. From an…

Quantum Physics · Physics 2022-04-04 Maël Bompais , Nina H. Amini , Clément Pellegrini

Inverse linear programming (LP) has received increasing attention due to its potential to generate efficient optimization formulations that can closely replicate the behavior of a complex system. However, inversely inferred parameters and…

Optimization and Control · Mathematics 2022-02-22 Zahed Shahmoradi , Taewoo Lee

Uncertainty quantification is a key part of astronomy and physics; scientific researchers attempt to model both statistical and systematic uncertainties in their data as best as possible, often using a Bayesian framework. Decisions might…

Instrumentation and Methods for Astrophysics · Physics 2022-07-29 Peter Hatfield

This article deals with the problem of the uncertainty in rule-based systems (RBS), but from the perspective of quantum computing (QC). In this work we first remember the characteristics of Quantum Rule-Based Systems (QRBS), a concept…

Artificial Intelligence · Computer Science 2021-01-14 Vicente Moret-Bonillo , Isaac Fernández-Varela , Diego Alvarez-Estevez

The comprehensive integration of machine learning healthcare models within clinical practice remains suboptimal, notwithstanding the proliferation of high-performing solutions reported in the literature. A predominant factor hindering…

Image and Video Processing · Electrical Eng. & Systems 2023-10-12 Ling Huang , Su Ruan , Yucheng Xing , Mengling Feng

The design of efficient quantum circuits is an important issue in quantum computing. It is in general a formidable task to find a highly optimized quantum circuit for a given unitary matrix. We propose a quantum circuit design method that…

Quantum Physics · Physics 2023-11-27 Andreas Klappenecker , Martin Roetteler

One purpose -- quite a few thinkers would say the main purpose -- of seeking knowledge about the world is to enhance our ability to make good decisions. An item of knowledge that can make no conceivable difference with regard to anything we…

Artificial Intelligence · Computer Science 2013-04-12 Henry E. Kyburg

The availability heuristic is a strategy that people use to make quick decisions but often lead to systematic errors. We propose three ways that visualization could facilitate unbiased decision-making. First, visualizations can alter the…

Human-Computer Interaction · Computer Science 2016-10-11 Evanthia Dimara , Pierre Dragicevic , Anastasia Bezerianos

Regularization methods are a key tool in the solution of inverse problems. They are used to introduce prior knowledge and make the approximation of ill-posed (pseudo-)inverses feasible. In the last two decades interest has shifted from…

Numerical Analysis · Mathematics 2018-01-31 Martin Benning , Martin Burger

Machine learning-based inverse materials discovery has attracted enormous attention recently due to its flexibility in dealing with black box models. Yet, many metaheuristic algorithms are not as widely applied to materials discovery…

Materials Science · Physics 2023-12-15 Hanfeng Zhai , Hongxia Hao , Jingjie Yeo

Improving the efficiency and accuracy of energy calculations has been of significant and continued interest in the area of materials informatics, a field that applies machine learning techniques to computational materials data. Here, we…

Quantum Physics · Physics 2021-02-03 Tanvi P. Gujarati , Tyler Takeshita , Andreas Hintennach , Eunseok Lee

Computational models in chemistry rely on a number of approximations. The effect of such approximations on observables derived from them is often unpredictable. Therefore, it is challenging to quantify the uncertainty of a computational…

Chemical Physics · Physics 2017-04-21 Gregor N. Simm , Jonny Proppe , Markus Reiher

Uncertainty quantification enables users to assess the reliability of responses generated by large language models (LLMs). We present a novel Question Rephrasing technique to evaluate the input uncertainty of LLMs, which refers to the…

Computation and Language · Computer Science 2024-08-08 Zizhang Chen , Pengyu Hong , Sandeep Madireddy

The advent of fabrication techniques such as additive manufacturing has focused attention on the considerable variability of material response due to defects and other microstructural aspects. This variability motivates the development of…

Data Analysis, Statistics and Probability · Physics 2019-06-26 Francesco Rizzi , Mohammad Khalil , Reese E. Jones , Jeremy A. Templeton , Jakob T. Ostien , Brad L. Boyce

Large language models (LLMs) have recently advanced automatic heuristic design (AHD) for combinatorial optimization (CO), where candidate heuristics are iteratively proposed, evaluated, and refined. Most existing approaches search over…

Artificial Intelligence · Computer Science 2026-05-08 Nguyen Viet Tuan Kiet , Bui Dinh Pham , Dao Van Tung , Tran Cong Dao , Huynh Thi Thanh Binh

Mechanical metamaterials represent an innovative class of artificial structures, distinguished by their extraordinary mechanical characteristics, which are beyond the scope of traditional natural materials. The use of deep generative models…

Signal Processing · Electrical Eng. & Systems 2024-07-31 Zihan Wang , Anindya Bhaduri , Hongyi Xu , Liping Wang

Despite great advances in computation, materials design is still science fiction. The construction of structure-property relations on the quantum scale will turn computational empiricism into true design.

Materials Science · Physics 2007-05-23 M. E. Eberhart , D. P. Clougherty

There is a constraining relation between the reliability of a quantum measurement and the extent to which the measurement process is, in principle, reversible. The greater the information that is gained, the less reversible the measurement…

Quantum Physics · Physics 2009-01-09 S. J. van Enk , M. G. Raymer

The role of the Uncertainty Principle is examined through the examples of squeezing, information capacity, and position monitoring. It is suggested that more attention should be directed to conceptual considerations in quantum information…

Quantum Physics · Physics 2007-05-23 Horace P. Yuen