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Reaction prediction, a critical task in synthetic chemistry, is to predict the outcome of a reaction based on given reactants. Generative models like Transformer have typically been employed to predict the reaction product. However, these…

Machine Learning · Computer Science 2025-11-13 Taicheng Guo , Changsheng Ma , Xiuying Chen , Bozhao Nan , Kehan Guo , Shichao Pei , Nitesh V. Chawla , Olaf Wiest , Xiangliang Zhang

Active fault tolerance is essential for robot swarms to retain long-term autonomy. Previous work on swarm fault tolerance focuses on reacting to electro-mechanical faults that are spontaneously injected into robot sensors and actuators.…

Robotics · Computer Science 2024-10-28 James O'Keeffe , Alan Gregory Millard

Accurately predicting chemical reaction outcomes and potential byproducts is a fundamental task of modern chemistry, enabling the efficient design of synthetic pathways and driving progress in chemical science. Reaction mechanism, which…

Chemical Physics · Physics 2025-03-14 Shuan Chen , Kye Sung Park , Taewan Kim , Sunkyu Han , Yousung Jung

The practice of continuous deployment has enabled companies to reduce time-to-market by increasing the rate at which software can be deployed. However, deploying more frequently bears the risk that occasionally defective changes are…

Software Engineering · Computer Science 2022-06-24 Michael Lindon , Chris Sanden , Vaché Shirikian

Defect reduction planning plays a vital role in enhancing software quality and minimizing software maintenance costs. By training a black box machine learning model and "explaining" its predictions, explainable AI for software engineering…

Software Engineering · Computer Science 2024-05-24 Khouloud Oueslati , Gabriel Laberge , Maxime Lamothe , Foutse Khomh

Despite extensive diagnostics and debugging by developers, AI systems sometimes exhibit harmful unintended behaviors. Finding and fixing these is challenging because the attack surface is so large -- it is not tractable to exhaustively…

Cryptography and Security · Computer Science 2025-07-30 Stephen Casper , Lennart Schulze , Oam Patel , Dylan Hadfield-Menell

Before autonomous systems can be deployed in safety-critical applications, we must be able to understand and verify the safety of these systems. For cases where the risk or cost of real-world testing is prohibitive, we propose a…

Robotics · Computer Science 2023-09-18 Charles Dawson , Chuchu Fan

In processing and manufacturing industries, there has been a large push to produce higher quality products and ensure maximum efficiency of processes. This requires approaches to effectively detect and resolve disturbances to ensure optimal…

Machine Learning · Statistics 2021-02-05 Weike Sun , Antonio R. C. Paiva , Peng Xu , Anantha Sundaram , Richard D. Braatz

When changes are performed on an automated production system (aPS), new faults can be accidentally introduced in the system, which are called regressions. A common method for finding these faults is regression testing. In most cases, this…

Software Engineering · Computer Science 2022-12-13 Sebastian Ulewicz , Birgit Vogel-Heuser

Organizations rely heavily on time series metrics to measure and model key aspects of operational and business performance. The ability to reliably detect issues with these metrics is imperative to identifying early indicators of major…

Machine Learning · Computer Science 2020-11-11 Sayan Chakraborty , Smit Shah , Kiumars Soltani , Anna Swigart , Luyao Yang , Kyle Buckingham

In financial field, a robust software system is of vital importance to ensure the smooth operation of financial transactions. However, many financial corporations still depend on operators to identify and eliminate the system failures when…

Machine Learning · Computer Science 2019-12-20 Jingwen Wang , Jingxin Liu , Juntao Pu , Qinghong Yang , Zhongchen Miao , Jian Gao , You Song

When perturbation or unexpected events do occur, agents need protocols for repairing or reforming the supply chain. Unfortunate contingency could increase too much the cost of performance, while breaching the current contract may be more…

Artificial Intelligence · Computer Science 2013-04-24 Ioan Alfred Letia , Adrian Groza

Anomaly detection is an important step in the management and monitoring of data centers and cloud computing platforms. The ability to detect anomalous virtual machines before real failures occur results in reduced downtime while operations…

Distributed, Parallel, and Cluster Computing · Computer Science 2018-10-08 Roman Nikiforov

The fundamental changes in power supply and increasing decentralization require more active grid operation and an increased integration of ICT at all power system actors. This trend raises complexity and increasingly leads to interactions…

This paper presents a new data-driven fault identification and controller reconfiguration algorithm. The presented algorithm relies only on the system's input and output data, and it does not require a detailed system description. The…

Systems and Control · Computer Science 2019-02-27 Hasan Zakeri , Panos J. Antsaklis

Early detection of significant traumatic events, e.g. a terrorist attack or a ship capsizing, is important to ensure that a prompt emergency response can occur. In the modern world telecommunication systems could play a key role in ensuring…

Computers and Society · Computer Science 2024-07-03 Qianru Zhou , Stephen McLaughlin , Alasdair J. G. Gray , Shangbin Wu , Chengxiang Wang

Making a decision in a changeable and dynamic environment is an arduous task owing to the lack of information, their uncertainties and the unawareness of planners about the future evolution of incidents. The use of a decision support system…

Artificial Intelligence · Computer Science 2009-04-21 Fahem Kebair , Frederic Serin

A methodology based on deep recurrent models for maritime surveillance, over publicly available Automatic Identification System (AIS) data, is presented in this paper. The setup employs a deep Recurrent Neural Network (RNN)-based model, for…

Machine Learning · Computer Science 2024-06-17 Constantine Maganaris , Eftychios Protopapadakis , Nikolaos Doulamis

Anomaly detection is critical for the secure and reliable operation of industrial control systems. As our reliance on such complex cyber-physical systems grows, it becomes paramount to have automated methods for detecting anomalies,…

Machine Learning · Computer Science 2024-05-10 Mayra Macas , Chunming Wu , Walter Fuertes

Large Language Models (LLMs) have demonstrated remarkable capabilities in interactive decision-making tasks, but existing methods often struggle with error accumulation and lack robust self-correction mechanisms. We introduce "Reflect…

Machine Learning · Computer Science 2025-09-24 Qiuhai Zeng , Sarvesh Rajkumar , Di Wang , Narendra Gyanchandani , Wenbo Yan