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Quantum Machine Learning in Drug Discovery: current State and Challenges 26

Quantum Machine Learning in Drug Discovery: Current State an...

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26th Pan-Hellenic conference on informatics, PCI 2022

作者： Avramouli, Maria Savvas, Ilias Vasilaki, Anna Garani, Georgia Xenakis, Apostolos Dept. of Digital Systems University of Thessaly Larissa Greece Faculty of Medicine School of Health Sciences University of Thessaly Larissa Greece

ISBN: (纸本)9781450398541

the drug discovery process is a time-consuming and quite expensive process. the predictive models of machine learning algorithms have been used efficiently for years in various stages of the drug discovery pipeline. the complexity of these algorithms increases as the size of the molecule increases, adding a single atom to a molecule increases the number of possible combinations. Quantum computers with quantum supremacy can play an important role in complex calculations. Combining the two technologies in practice is a complex endeavor that requires diverse, interdisciplinary teams of scientists working together to be able to integrate the two technologies with the goal of reducing cost and time in drug discovery. © 2022 ACM.

关键词： Machine learning

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Fine-Tuning BERT Models to Extract Named Entities from Archival Finding Aids 26

Fine-Tuning BERT Models to Extract Named Entities from Archi...

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26th International conference on theory and practice of Digital Libraries, TPDL 2022

作者： Cunha, Luis Filipe Ramalho, José Carlos Department of Informatics University of Minho Portugal

In recent works, several NER models were developed to extract named entities from Portuguese Archival Finding Aids. In this paper, we are complementing the work already done by presenting a different NER model with a new architecture, Bidirectional Encoding Representation from Transformers (BERT). In order to do so, we used a BERT model that was pre-trained in Portuguese vocabulary and fine-tuned it to our concrete classification problem, NER. In the end, we compared the results obtained with previous architectures. In addition to this model we also developed an annotation tool that uses ML models to speed up the corpora annotation process. © 2022 Copyright for this paper by its authors. Use permitted under Creative Commons License Attribution 4.0 International (CC BY 4.0)

关键词： Natural language processing systems

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Critical Pedagogy in the investigative practice of the university teacher 26

Critical Pedagogy in the investigative practice of the unive...

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26th World Multi-conference on Systemics, Cybernetics and informatics, WMSCI 2022

作者： Merchán, Neicer Gómez Mendoza Bravo, Karina Luzdelia Hormaza, Jaime Meza Chancay Cedeño, Carlos Humberto Castellanos Noda, Ana Victoria Instituto de Posgrado Universidad Técnica de Manabí Portoviejo Manabí Ecuador Facultad de Filosofía Letras y Ciencias de la Educación Universidad Técnica de Manabí Portoviejo Manabí Ecuador Facultad de Ciencias Informáticas Universidad Técnica de Manabí Portoviejo Manabí Ecuador Centro de Estudios para el Perfeccionamiento de la Educación Superior Universidad de La Habana Vedado La Habana Cuba

ISBN: (纸本)9781950492664

this article addresses the fundamentals of critical pedagogy as enhancers of the investigative practice of university teachers. Critical pedagogy is an educational paradigm based on dialogue and reflection, while university research is a substantive process that seeks to understand and generate knowledge. therefore, Paulo Freire relates them in theory and practice as an inseparable part of education. In this work, the limitations and strengths of the investigative practice of the university professor in the Faculty of Philosophy, Letters and Educational Sciences of the Technical University of Manabí (FFLCE-UTM) are described. the research has a descriptive scope with a quantitative approach and a non-experimental-transactional design;with the interview, survey, and quantitative content analysis techniques. the population corresponds to 100 teachers taken as a sample. the results indicate a growing research production. However, some elements can be enhanced: dialogue, active participation, digital identity, production and socialization of knowledge. It is concluded that critical pedagogy is an opportunity to strengthen procedural aspects in investigative practice. therefore, a methodological strategy composed of a system of activities is proposed. © 2022 *** rights reserved.

关键词： critical pedagogy dialogue education reflection research university professor

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Repeated Refinement Approach to Bi-objective p-Location Problems 26

Repeated Refinement Approach to Bi-objective p-Location Prob...

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26th IEEE International conference on Intelligent Engineering Systems, INES 2022

作者： Janacek, Jaroslav Kvet, Marek University of Žilina Faculty of Management Science and Informatics Žilina010 26 Slovakia

ISBN: (数字)9781665492096

ISBN: (纸本)9781665492096

this paper deals with the comparison of different solving techniques for bi-objective p-location problems, which can be met very often in many areas of human life including also the health sector and rescue services. Making the final decision on service center locations is usually a complex challenge mainly due to several years' impact on the efficiency of the service provided. Moreover, any good or bad decision directly affects the accessibility of urgent care in case of emergency. From this point of view, the optimal service center deployment can be formulated as a bi-or multi-criteria decision-making problem. While obtaining the result of the problem with one objective function follows from solving a simple model, usage of more parallel quality criteria implies the construction of the Pareto front or at least of its approximation. In this paper, we deal with five different heuristic algorithms for processing the solutions of the current set of non-dominated solutions in order to choose the most suitable approach for practice. Suggested theoretical ideas will be studied on the dataset from real Emergency Medical Service System in Slovakia. © 2022 IEEE.

关键词： Heuristic algorithms

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Algorithms Transcending the SAT-Symmetry Interface 26

Algorithms Transcending the SAT-Symmetry Interface

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26th International conference on theory and Applications of Satisfiability Testing, SAT 2023

作者： Anders, Markus Schweitzer, Pascal Soos, Mate TU Darmstadt Germany National University of Singapore Singapore Singapore

ISBN: (纸本)9783959772860

Dedicated treatment of symmetries in satisfiability problems (SAT) is indispensable for solving various classes of instances arising in practice. However, the exploitation of symmetries usually takes a black box approach. Typically, off-the-shelf external, general-purpose symmetry detection tools are invoked to compute symmetry groups of a formula. the groups thus generated are a set of permutations passed to a separate tool to perform further analyzes to understand the structure of the groups. the result of this second computation is in turn used for tasks such as static symmetry breaking or dynamic pruning of the search space. Within this pipeline of tools, the detection and analysis of symmetries typically incurs the majority of the time overhead for symmetry exploitation. In this paper we advocate for a more holistic view of what we call the SAT-symmetry interface. We formulate a computational setting, centered around a new concept of joint graph/group pairs, to analyze and improve the detection and analysis of symmetries. Using our methods, no information is lost performing computational tasks lying on the SAT-symmetry interface. Having access to the entire input allows for simpler, yet efficient algorithms. Specifically, we devise algorithms and heuristics for computing finest direct disjoint decompositions, finding equivalent orbits, and finding natural symmetric group actions. Our algorithms run in what we call instance-quasi-linear time, i.e., almost linear time in terms of the input size of the original formula and the description length of the symmetry group returned by symmetry detection tools. Our algorithms improve over both heuristics used in state-of-the-Art symmetry exploitation tools, as well as theoretical general-purpose algorithms. © 2023 Schloss Dagstuhl- Leibniz-Zentrum fur Informatik GmbH, Dagstuhl Publishing. All rights reserved.

关键词： Group theory

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How to Settle the ReDoS Problem: Back to the Classical Automata theory 26th

How to Settle the ReDoS Problem: Back to the Classical Autom...

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26th International conference on Implementation and Application of Automata (CIAA)

作者： Sung, Sicheol Cheon, Hyunjoon Han, Yo-Sub Yonsei Univ Seoul South Korea

ISBN: (纸本)9783031074691;9783031074684

Most regular-expression matching engines in practice are based on the thompson construction and the Spencer matching algorithm. While these engines work fast and efficiently, a serious problem, the regular expression denial-of-service (ReDoS), has been reported recently. ReDoS is an algorithm complexity attack, which exploits the backtracking feature of the engine, and makes the service unresponsive indefinitely. Researchers suggested a few remedies to cope with the ReDoS problem, yet they are often ad-hoc or undesirable in practice. We instead propose a hybrid matching scheme that selects between the thompson and the Spencer matching algorithms depending on the needed features. We also suggest to use the position construction for its intrinsic characteristics for fast matching. We evaluate the proposed approach using a benchmark dataset collected from various open-source projects, and compare the performance with the current approach. the experimental results show that a hybrid matcher reduces the ReDoS-vulnerability by 96% and 99.98% in full and partial matching, respectively. Moreover, 55% of the most problematic regular expressions become invulnerable to ReDoS by the position construction.

关键词： Regular expressions Denial of service ReDoS Position automata

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A Toolbox of Feminist Wonder: theories and methods that can make a difference 26

A Toolbox of Feminist Wonder: Theories and methods that can ...

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26th ACM conference on Computer-Supported Cooperative Work and Social Computing, CSCW 2023

作者： Hansson, Karin Bardzell, Shaowen Bhandari, Aparajita Boulicault, Marion Doyle, Dylan thomas Erete, Sheena Cerratto Pargman, Teresa Lazem, Shaimaa Muller, Michael Normark, Maria Petterson, Adrian Rosén, Anton Poikolainen Taylor, Alex S. thomas, Jakita O. Watson, Julia Södertörn University The School of Natural Sciences Technology and Environmental Studies Sweden Georgia Institute of Technology The School of Interactive Computing United States Cornell University Department of Communication United States University of Edinburgh Department of Philosophy United States University of Colorado Boulder Department of Information Science United States University of Maryland College of Information United States Stockholm University The Department of Computer and Systems Sciences Sweden City for Scientific Research and Technological Applications The Informatics Research Institute Egypt Ibm Research Human Centered Ai United States Uppsala University Department of Informatics and Media Sweden University of Toronto Faculty of Information Canada Aalto University The School of Arts Design and Architecture Finland City University of London The Centre for Human Computer Interaction Design United Kingdom Auburn University Department of Computer Science and Software Engineering United States University of Toronto Department of Computer Science Canada

ISBN: (纸本)9798400701290

this one-day hybrid workshop builds on previous feminist CSCW workshops to explore feminist theoretical and methodological approaches that have provided us with useful tools to see things differently and make space for change. Since its inception over a decade ago, feminist HCI has progressed from the margins to mainstream HCI, with numerous references in the literature. Feminist HCI has also evolved to incorporate other critical HCI practices such as Queer HCI, participatory design, and speculative design. While feminist approaches have grown in popularity and become mainstream, it is getting more difficult to distinguish the feminist emancipatory core from other attempts of developing and improving society in various ways. In this workshop, we therefore want to revisit our feminist roots, where theory is a liberatory and creative practice, motivated by affect, curiosity, and wonder. From this standpoint, we consider which of our feminist tools can make a significant difference today, in a highly datafied world. the goal of this workshop is to;1) create an inventory of feminist theories and concepts that have had an impact on our work as designers, educators, researchers, and activists;2) develop a feminist toolbox for the CSCW community to strengthen our feminist literacy. © 2023 Owner/Author.

关键词： Computation theory

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RDFtex: Knowledge Exchange Between -Based Research Publications and Scientific Knowledge Graphs 26th

RDFtex: Knowledge Exchange Between -Based Research Publicati...

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26th International conference on theory and practice of Digital Libraries, TPDL 2022

作者： Martin, Leon Henrich, Andreas Media Informatics University of Bamberg Bamberg Germany

ISBN: (纸本)9783031168017

Scientific Knowledge Graphs (SciKGs) aim to integrate scientific knowledge in a machine-readable manner. For populating SciKGs, research publications pose a central source of knowledge. the goal is to represent both contextual information, i.e., metadata, and contentual information, i.e., original contributions like definitions and experimental results, of research publications in SciKGs. However, typical forms of research publications like traditional papers do not provide means of integrating contributions into SciKGs. Furthermore, they do not support making direct use of the rich information SciKGs provide. To tackle this, the present paper proposes RDFtex, a framework enabling (1) the import of contributions represented in SciKGs to facilitate the preparation of -based research publications and (2) the export of original contributions to facilitate their integration into SciKGs. As a proof of concept, an RDFtex implementation is provided. We demonstrate the framework’s functionality using the example of the present paper itself since it was prepared using this implementation. © 2022, Springer Nature Switzerland AG.

关键词： Knowledge management

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Quantum Machine Learning in Drug Discovery: current State and Challenges 22

Quantum Machine Learning in Drug Discovery: Current State an...

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Proceedings of the 26th Pan-Hellenic conference on informatics

作者： Maria Avramouli Ilias Savvas Anna Vasilaki Georgia Garani Apostolos Xenakis Dept. Of Digital Systems University of Thessaly Greece Faculty of Medicine School of Health Sciences University of Thessaly Greece

ISBN: (纸本)9781450398541

关键词： drug design drug discovery Quantum Machine Learning

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Multi-behavior Learning for Socially Compatible Autonomous Driving

Multi-behavior Learning for Socially Compatible Autonomous D...

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International conference on Intelligent Transportation

作者： Sanjula Jayawardana Vindula Jayawardana Kaneeka Vidanage Cathy Wu University of Westminster UK Informatics Institute of Technology Colombo Sri Lanka Department of Electrical Engineering and Computer Science MIT Laboratory for Information & Decision Systems Cambridge MA USA Department of Civil and Environmental Engineering MIT Laboratory for Information Decision Systems Institute of Data Systems and Society Cambridge MA USA

Autonomous vehicles (AVs) have the potential to revolutionize transportation, but their effective integration into the real world requires addressing the challenge of interacting with human drivers. Real-world driving involves negotiating and cooperating with fellow drivers through social cues, necessitating AVs to also demonstrate such social compatibilities. However, despite the popularity, current learning-based control methods for AV policy synthesis often overlook this crucial aspect. In this work, we look at the problem of enabling socially compatible driving when AV control policies are learned. We leverage human driving data to learn a social preference model of human driving and then integrate it with reinforcement learning-based AV policy synthesis using Social Value Orientation theory. In particular, we propose to use multi-task reinforcement learning to learn diverse social compatibility levels in driving (ex: altruistic, prosocial, individualistic, and competitive), focusing on the requirement of having diverse behaviors in real-world driving. Using highway driving scenarios, we demonstrate through experiments that socially compatible AV driving not only enables naturalistic driving behaviors but also reduces collision rates from the baseline. Our findings reveal that without social compatibility, AV policies tend to adopt dangerously competitive driving behaviors, while the incorporation of social compatibility fosters smoother vehicle maneuvers.

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