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arXiv 2024年

作者： Li, Shih-Cheng Wang, Pei-Hwa Su, Jheng-Wei Chiang, Wei-Yin Huang, Shih-Hsien Lin, Yen-Chu Ou, Chia-Ho Chen, Chih-Yu Insilico Medicine Taiwan Ltd. Taipei City110208 Taiwan Department of Chemical Engineering Massachusetts Institute of Technology CambridgeMA02139 United States Quantum Information Center Chung Yuan Christian University Taoyuan City320314 Taiwan Master Program in Intelligent Computing and Big Data Chung Yuan Christian University Taoyuan City320314 Taiwan Department of Computer Science and Information Engineering National Pingtung University Pingtung City900392 Taiwan

Finding appropriate reaction conditions that yield high product rates in chemical synthesis is crucial for the chemical and pharmaceutical industries. However, due to the vast chemical space, conducting experiments for each possible reaction condition is impractical. Consequently, models such as QSAR (Quantitative Structure-Activity Relationship) or ML (Machine Learning) have been developed to predict the outcomes of reactions and illustrate how reaction conditions affect product yield. Despite these advancements, inferring all possible combinations remains computationally prohibitive when using a conventional CPU. In this work, we explore using a Digital Annealing Unit (DAU) to tackle these large-scale optimization problems more efficiently by solving Quadratic Unconstrained Binary Optimization (QUBO). Two types of QUBO models are constructed in this work: one using quantum annealing and the other using ML. Both models are built and tested on four high-throughput experimentation (HTE) datasets and selected Reaxys datasets. Our results suggest that the performance of models is comparable to classical ML methods (i.e., Random Forest and Multilayer Perceptron (MLP)), while the inference time of our models requires only seconds with a DAU. Additionally, in campaigns involving active learning and autonomous design of reaction conditions to achieve higher reaction yield, our model demonstrates significant improvements by adding new data, showing promise of adopting our method in the iterative nature of such problem settings. Our method can also accelerate the screening of billions of reaction conditions, achieving speeds millions of times faster than traditional computing units in identifying superior conditions. Therefore, leveraging the DAU with our developed QUBO models has the potential to be a valuable tool for innovative chemical synthesis. Copyright © 2024, The Authors. All rights reserved.

关键词： Machine learning

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Performance limits due to thermal transport in graphene single-photon bolometers

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Physical Review Applied 2024年第1期21卷 014006-014006页

作者： Caleb Fried B. Jordan Russell Ethan G. Arnault Bevin Huang Gil-Ho Lee Dirk Englund Erik A. Henriksen Kin Chung Fong Department of Electrical Engineering and Computer Science Massachusetts Institute of Technology Cambridge Massachusetts 02139 Department of Earth and Planetary Sciences Harvard University Cambridge Massachusetts 02138 USA Department of Physics Harvard University Cambridge Massachusetts 02138 USA Raytheon BBN Quantum Engineering and Computing Group Cambridge Massachusetts 02138 USA Department of Physics Washington University in St. Louis St. Louis Missouri USA Intelligence Community Postdoctoral Research Fellowship Program Massachusetts Institute of Technology Cambridge Massachusetts 02139 Department of Physics Pohang University of Science and Technology Pohang 790-784 Republic of Korea

In high-sensitivity bolometers and calorimeters, the photon absorption often occurs at a finite distance from the temperature sensor to accommodate antennas or avoid the degradation of superconducting circuitry exposed to radiation. As a result, thermal propagation from the input to the temperature readout can critically affect detector performance. In this paper we model the performance of a graphene bolometer, accounting for electronic thermal diffusion and dissipation via electron-phonon coupling at low temperatures in three regimes: clean, supercollision, and resonant scattering. Our results affirm the feasibility of a superconducting readout without Cooper-pair breaking by mid- and near-infrared photons, and provide a recipe for designing graphene absorbers for calorimetric single-photon detectors. We investigate the trade-off between the input-readout distance and detector efficiency, and predict an intrinsic timing jitter of approximately 2.7 ps. Based on our result, we propose a spatial-mode-resolving photon detector to increase the communication bandwidth.

关键词： Heat transfer Metrology Optical quantum information processing Graphene Josephson junctions Bolometers Calorimetry Single-photon detectors

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An efficient multi-objective evolutionary approach for solving the operation of multi-reservoir system scheduling in hydro-power plants

arXiv

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arXiv 2021年

作者： Marcelino, Carolina Gil Leite, G.M.C. Delgado, C.A.D.M. De Oliveira, L.B. Wanner, E.F. Jiménez-Fernández, S. Salcedo-Sanz, S. Department of Signal Processing and Communications Universidad de Alcalá Spain Institute of Computing Federal University of Rio de Janeiro Brazil Post-Graduate Program in Systems Engineering and Computer Science Federal University of Rio de Janeiro Brazil Computing Department Federal Center of Technology Education of Minas Gerais Brazil

This paper tackles the short-term hydro-power unit commitment problem in a multi-reservoir system - a cascade-based operation scenario. For this, we propose a new mathematical modelling in which the goal is to maximize the total energy production of the hydro-power plant in a sub-daily operation, and, simultaneously, to maximize the total water content (volume) of reservoirs. For solving the problem, we discuss the Multi-objective Evolutionary Swarm Hybridization (MESH) algorithm, a recently proposed multiobjective swarm intelligence-based optimization method which has obtained very competitive results when compared to existing evolutionary algorithms in specific applications. The MESH approach has been applied to find the optimal water discharge and the power produced at the maximum reservoir volume for all possible combinations of turbines in a hydro-power plant. The performance of MESH has been compared with that of well-known evolutionary approaches such as NSGA-II, NSGA-III, SPEA2, and MOEA/D in a realistic problem considering data from a hydro-power energy system with two cascaded hydro-power plants in Brazil. Results indicate that MESH showed a superior performance than alternative multi-objective approaches in terms of efficiency and accuracy, providing a profit of $412,500 per month in a projection analysis carried out. © 2021, CC BY-NC-ND.

关键词： Multiobjective optimization

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Acoustic and Textual Data Augmentation for Code-Switching Speech Recognition in Under-Resourced Language

Acoustic and Textual Data Augmentation for Code-Switching Sp...

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Asia-Pacific Signal and Information Processing Association Annual Summit and Conference (APSIPA)

作者： I-Ting Hsieh Chung-Hsien Wu Chun-Huang Wang Graduate Program of Multimedia Systems and Intelligent Computing National Cheng Kung University Tainan Taiwan

ISBN: (数字)9789881476883

ISBN: (纸本)9781728181301

Under-resourced and code-switching speech recognition have recently received research interest, resulting in several robust acoustic and language modeling approaches. As Taiwanese and Mandarin have been popularly and widely used in Taiwan, this paper aims to address the under-resourced and codeswitching issues. First, phone sharing between Taiwanese and Mandarin is employed for acoustic data augmentation to construct the acoustic models of Taiwanese speech recognizer. Regarding the lack of Taiwanese text corpus, this paper translates Mandarin corpus into Taiwanese corpus based on word-to-word translation. Moreover, additional translation rules for codeswitching text are manually designed. The augmented text corpus is then used for training the code-switching language models. In the experimental results, the word error rate for code-switching speech recognition was 26.02%, which was better than that trained by the pure Taiwanese corpus.

关键词： Speech recognition Training Acoustics Switches Mathematical model Speech coding Hidden Markov models

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Automated Mobile Trip Plan using Simulated Annealing in Microservices Architecture

Automated Mobile Trip Plan using Simulated Annealing in Micr...

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International Conference on Information Management and Technology (ICIMTech)

作者： Kevin Abram Samuel Mahatmaputra Tedjojuwono Business Information Systems Program Faculty of Computing and Media Bina Nusantara University Jakarta Indonesia

ISBN: (数字)9781728170718

ISBN: (纸本)9781728170725

The work is to provide a better experience on the needs of developing itinerary for travelers. This is achieved through an automated itinerary planning using artificial intelligence of simulated annealing technique. In contrast, planning the itinerary in detail with manual process would be time consuming, disorganized and incomplete which might affect the travel experience negatively. The work presents comparison of manual approach and the proposed automated itinerary on a mobile system application; as well as cloud-architecture that will support the application's overall functionality, including the cloud-services that is used to support each component of the application. The result of incorporating meta heuristic in building the recommendation system which in return improving the user experience of the leisure travelling industry is promising and will be presented at the end of the paper.

关键词： Computer architecture Google Simulated annealing Mathematical model Cloud computing Heuristic algorithms Business

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Differential evolution with cluster-based external archive and local search for multimodal optimization 8

Differential evolution with cluster-based external archive a...

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8th Brazilian Conference on Intelligent Systems, BRACIS 2019

作者： Dominico, Gabriel Boiani, Mateus Stubs Parpinelli, Rafael Graduate Program in Applied Computing Santa Catarina State University Joinville Santa Catarina Brazil

ISBN: (纸本)9781728142531

One of the main objectives in multimodal optimization is to find multiple optima solutions in a search space. Hence, population-based metaheuristics are suitable for this class of problems but their loss of diversity while converging may become a problem when tracking multiple optima. In this paper, we propose the use of a cluster-based external archive maintenance strategy along with the jDE algorithm, namely NCjDE-HJar. The DBSCAN algorithm is employed to group candidate solutions in an external archive representing multiple peaks that will feed the Hooke-Jeeves local search algorithm. Also, the Michalewicz mutation strategy is applied to refine the solutions found by the jDE algorithm. The proposed approach is compared with five state-of-the-art algorithms in terms of peak ratio and the results obtained show that the proposed modifications favor the finding more multimodal peaks. © 2019 IEEE.

关键词： Evolutionary algorithms

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Comparative experimental analysis of Docker container networking drivers

Comparative experimental analysis of Docker container networ...

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IEEE International Conference on Cloud Networking (CLOUDNET)

作者： Lucas Litter Mentz Wilton Jaciel Loch Guilherme Piêgas Koslovski Graduate Program in Applied Computing (PPGCA) Santa Catarina State University (UDESC) Joinville Brazil

ISBN: (数字)9781728194868

ISBN: (纸本)9781728194875

Virtualization allows for more efficient hardware usage by allowing several instances of Operating Systems (OSs) or Virtual Machines (VMs) to run on a physical server. Containers are a subset of lightweight virtualization and reduce the overhead of virtualizing an entire OS by sharing the server's OS with the virtualized instances. Moreover, containers work closer to hardware than VMs and are similar to Linux processes, however, this limits connectivity freedom since processes do not have access to network addressing. To resemble container's communication to that of conventional networks we use network drivers. Studies show that in processing- or memory-bound scenarios, containers perform better than VMs, but in network-bound scenarios they achieve less performance. This work analyzes performance of networking implementations for Docker in different container allocations and workload scenarios.

关键词： Cloud computing Linux Bandwidth Containers Hardware Servers Virtualization

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A Domain Specific Language to Provide Middleware for Interoperability among SaaS and DaaS/DBaaS through a Metamodel Approach 23

A Domain Specific Language to Provide Middleware for Interop...

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23rd International Conference on Enterprise Information Systems, ICEIS 2021

作者： Mane, Babacar Magalhaes, Ana Patricia Quinteiro, Gustavo Maciel, Rita Suzana Pitangueira Claro, Daniela Barreiro Federal University of Bahia – DCC – IME Av. Adhemar de Barros Ondina 40170-110 Bahia Salvador Brazil Department of Exact Sciences and Earth State University of Bahia 2555 Silveira Martins st. Bahia Cabula Brazil Post Graduate Program in Computing and Systems Salvador University 251 Dr. Jose Peroba st. Bahia Brazil

ISBN: (纸本)9789897585098

Cloud computing (CC) is a paradigm that manages a pool of virtualized resources at infrastructure, platform, and software levels to deliver them as services over the Internet. Cloud Platforms are heterogeneous, and therefore cloud users may face interoperability and integration issues regarding consumption, provisioning, management, and supervision resources among distinct clouds. Due to the lack of standards in such a heterogeneous environment, an organization may face a lock-in situation. A middleware can minimize the effort to overcome lock-in problems. The MIDAS middleware ensures semantic interoperability between Software as a Service (SaaS) and Data as a Service (DaaS), and at the same times provides data integration between DaaS. Currently, MIDAS runtime implementations rely on Cloud Foundry, Amazon Web Services, OpenShift and, Heroku providers. To avoid ambiguity in MIDAS development and deployment an unambiguous definition of MIDAS architectural concepts must be provided. Thus, our work presents a Domain-Specific Modeling Language (DSML) comprising a metamodel of MIDAS semantic architecture and a Unified Modeling Language (UML) profile. To evaluate the DSML expressiveness, we instantiate several middleware models, and the findings demonstrate that our modeling language has an acceptable level of concepts to specify the middleware. Copyright © 2021 by SCITEPRESS – Science and Technology Publications, Lda. All rights reserved.

关键词： Web services

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A GPU-based hybrid jDE algorithm applied to the 2D-AB protein structure prediction problem 8

A GPU-based hybrid jDE algorithm applied to the 2D-AB protei...

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8th Brazilian Conference on Intelligent Systems, BRACIS 2019

作者： Boiani, Mateus Dominico, Gabriel Stubs Parpinelli, Rafael Graduate Program in Applied Computing Santa Catarina State University Joinville Santa Catarina Brazil

ISBN: (纸本)9781728142531

Protein Structure Prediction (PSP) problem is an open problem in bioinformatics and, as the problem scales, complexity and processing time increases. In this way, robust methods and massively parallel architectures are required. This paper presents a GPU-based hybrid algorithm, named cuHjDE, to handle the 2D-AB off-lattice PSP problem. The cuHjDE is composed of the jDE algorithm and the Hooke-Jeeves local search algorithm. An important feature present in the cuHjDE algorithm is the use of a crowding mechanism to avoid premature convergence promoting diversification in the search space. The proposed algorithm is compared with four state-of-the-art algorithms in both artificial and real proteins. Also, the impact of using GPU is analyzed. Experimental results point out that the proposed approach is competitive in artificial sequences and achieved new best results for all real sequence proteins. © 2019 IEEE.

关键词： Proteins

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The effects of information search and evaluation of alternatives through social media on the purchase decision: Japanese and Indonesian consumers case

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AIP Conference Proceedings 2023年第1期2594卷

作者： V. Franklin A. S. Ramadhan A. K. Anom Communication Department Faculty of Computing and Media Bina Nusantara University Jakarta Indonesia 11480 International Business Program Management Department BINUS Business School International Undergraduate Program Bina Nusantara University Jakarta Indonesia 11480

The purpose of this research paper is to identify whether there is an influence of finding information and evaluating alternatives through social media on the purchase decision of Japanese and Indonesian people. In the past, companies conveyed advertising messages through traditional channels, such as radio, television, newspapers, magazines, and direct mail. Nonetheless, this communication method covers a limited targeted market by not being able to transmit individualized messages. However, the development of social media has greatly increased, providing new means of communication through digital marketing. Researchers acquired information from Japanese and Indonesian respondents through designing a questionnaire and semi-structured interview. The questionnaire resulted in 200 respondents: 100 Japanese respondents and 100 Indonesian respondents, and semi-structured interviews occurred with 8 respondents: 4 Japanese respondents and 4 Indonesian respondents. The results showed that information search through social media influenced Japanese and Indonesian consumers' purchase decision but had an insignificant effect. The study also proved that the evaluation of alternatives through social media influenced the purchase decision of Japanese and Indonesian consumers and had a significant effect. The majority of information found in social media is in the form of posts, pictures, descriptive, evaluative comments, discussions, and testimonies from other consumers/people they know. These processes lead to a higher impact on the Indonesian respondents' purchase decisions compared to the Japanese respondents.

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