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Although classical computing has excelled in a wide range of applications, there remain problems that push the limits of its capabilities, especially in fields like cryptography, optimization, and materials science. Quantum computing…

Software Engineering · Computer Science 2025-01-14 Neilson Carlos Leite Ramalho , Erico Augusto da Silva , Higor Amario de Souza , Marcos Lordello Chaim

We develop a qualitative theory of Markov Decision Processes (MDPs) and Partially Observable MDPs that can be used to model sequential decision making tasks when only qualitative information is available. Our approach is based upon an…

Artificial Intelligence · Computer Science 2013-01-07 Blai Bonet , Judea Pearl

Quantum computing (QC) has gained significant attention over the past two decades due to its potential for speeding up classically demanding tasks. This transition from an academic focus to a thriving commercial sector is reflected in…

Broadening eligibility criteria in cancer trials has been advocated to represent the true patient population more accurately. While the advantages are clear in terms of generalizability and recruitment, novel dose-finding designs are needed…

Applications · Statistics 2023-01-12 Rebecca B. Silva , Bin Cheng , Richard D. Carvajal , Shing M. Lee

The rapid advancements in quantum computing (QC) and machine learning (ML) have sparked significant interest, driving extensive exploration of quantum machine learning (QML) algorithms to address a wide range of complex challenges. The…

Quantum Physics · Physics 2025-05-27 Samuel Yen-Chi Chen , Huan-Hsin Tseng , Hsin-Yi Lin , Shinjae Yoo

Quantum computers promise to solve several categories of problems faster than classical computers ever could. Current research mostly focuses on qubits, i.e., systems where the unit of information can assume only two levels. However, the…

Quantum Physics · Physics 2023-08-25 Kevin Mato , Stefan Hillmich , Robert Wille

Reliable predictions of the behaviour of chemical systems are essential across many industries, from nanoscale engineering over validation of advanced materials to nanotoxicity assessment in health and medicine. For the future we therefore…

Chemical Physics · Physics 2021-03-05 Judith B. Rommel

Supervised machine learning approaches have been increasingly used in accelerating electronic structure prediction as surrogates of first-principle computational methods, such as density functional theory (DFT). While numerous quantum…

Chemical Physics · Physics 2024-03-22 Haiyang Yu , Meng Liu , Youzhi Luo , Alex Strasser , Xiaofeng Qian , Xiaoning Qian , Shuiwang Ji

Applications of artificial intelligence (AI) in drug development continue to increase at a rapid pace. Regulatory authorities have provided increasingly clear perspectives on the use of AI in regulated applications, including recent draft…

Applications · Statistics 2026-05-25 Aaron M. Smith , Tala Fakhouri , Run Zhuang , Jonathan R. Walsh

The influence of additional information on the decision making of agents, who are interacting members of a society, is analyzed within the mathematical framework based on the use of quantum probabilities. The introduction of social…

Physics and Society · Physics 2015-10-14 V. I. Yukalov , D. Sornette

Accurate models of clinical actions and their impacts on disease progression are critical for estimating personalized optimal dynamic treatment regimes (DTRs) in medical/health research, especially in managing chronic conditions.…

Methodology · Statistics 2021-02-19 William Hua , Hongyuan Mei , Sarah Zohar , Magali Giral , Yanxun Xu

The use of quantum cryptography in everyday applications has gained attention in both industrial and academic fields. Due to advancements in quantum electronics, practical quantum devices are already available in the market, and ready for…

Cryptography and Security · Computer Science 2024-07-29 Pankaj Kumar , Neel Kanth Kundu , Binayak Kar

We consider the optimization of an uncertain objective over continuous and multi-dimensional decision spaces in problems in which we are only provided with observational data. We propose a novel algorithmic framework that is tractable,…

Machine Learning · Statistics 2018-10-30 Dimitris Bertsimas , Christopher McCord

Requirement prioritization is recognized as an important decision-making activity in requirements engineering and software development. Requirement prioritization is applied to determine which requirements should be implemented and…

Software Engineering · Computer Science 2023-12-21 Richard Berntsson Svensson , Richard Torkar

The goal of personalized decision making is to map a unit's characteristics to an action tailored to maximize the expected outcome for that unit. Obtaining high-quality mappings of this type is the goal of the dynamic regime literature. In…

Machine Learning · Computer Science 2018-10-01 Razieh Nabi , Phyllis Kanki , Ilya Shpitser

Uncertainty quantification (UQ) is an important component of molecular property prediction, particularly for drug discovery applications where model predictions direct experimental design and where unanticipated imprecision wastes valuable…

Machine Learning · Computer Science 2020-05-21 Lior Hirschfeld , Kyle Swanson , Kevin Yang , Regina Barzilay , Connor W. Coley

It is becoming increasingly emphasis on the importance of LLM participating in clinical diagnosis decision-making. However, the low specialization refers to that current medical LLMs can not provide specific medical advice, which are more…

Computation and Language · Computer Science 2023-12-06 Binbin Li , Tianxin Meng , Xiaoming Shi , Jie Zhai , Tong Ruan

Background: Drug development is often inefficient, costly and lengthy, yet it is essential for evaluating the safety and efficacy of new interventions. Compared with other disease areas, this is particularly true for Phase II / III cancer…

Methodology · Statistics 2024-05-13 Abigail Burdon , Thomas Jaki , Xijin Chen , Pavel Mozgunov , Haiyan Zheng , Richard Baird

Computational methods are the most effective tools we have besides scientific experiments to explore the properties of complex biological systems. Progress is slowing because digital silicon computers have reached their limits in terms of…

Quantum Physics · Physics 2020-04-03 Viv Kendon

Quantitative Systems Pharmacology (QSP) promises to accelerate drug development, enable personalized medicine, and improve the predictability of clinical outcomes. Realizing this potential requires effectively managing the complexity of…

Quantitative Methods · Quantitative Biology 2025-06-10 Noah DeTal , Christian N. K. Anderson , Mark K. Transtrum