Pub Date : 2023-04-06DOI: 10.48550/arXiv.2304.03338
Dominik Dürrschnabel, Gerd Stumme
Given a formal context, an ordinal factor is a subset of its incidence relation that forms a chain in the concept lattice, i.e., a part of the dataset that corresponds to a linear order. To visualize the data in a formal context, Ganter and Glodeanu proposed a biplot based on two ordinal factors. For the biplot to be useful, it is important that these factors comprise as much data points as possible, i.e., that they cover a large part of the incidence relation. In this work, we investigate such ordinal two-factorizations. First, we investigate for formal contexts that omit ordinal two-factorizations the disjointness of the two factors. Then, we show that deciding on the existence of two-factorizations of a given size is an NP-complete problem which makes computing maximal factorizations computationally expensive. Finally, we provide the algorithm Ord2Factor that allows us to compute large ordinal two-factorizations.
{"title":"Maximal Ordinal Two-Factorizations","authors":"Dominik Dürrschnabel, Gerd Stumme","doi":"10.48550/arXiv.2304.03338","DOIUrl":"https://doi.org/10.48550/arXiv.2304.03338","url":null,"abstract":"Given a formal context, an ordinal factor is a subset of its incidence relation that forms a chain in the concept lattice, i.e., a part of the dataset that corresponds to a linear order. To visualize the data in a formal context, Ganter and Glodeanu proposed a biplot based on two ordinal factors. For the biplot to be useful, it is important that these factors comprise as much data points as possible, i.e., that they cover a large part of the incidence relation. In this work, we investigate such ordinal two-factorizations. First, we investigate for formal contexts that omit ordinal two-factorizations the disjointness of the two factors. Then, we show that deciding on the existence of two-factorizations of a given size is an NP-complete problem which makes computing maximal factorizations computationally expensive. Finally, we provide the algorithm Ord2Factor that allows us to compute large ordinal two-factorizations.","PeriodicalId":125954,"journal":{"name":"International Conference on Conceptual Structures","volume":"97 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-04-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"121080248","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-03-08DOI: 10.48550/arXiv.2303.04788
Matteo Antonio Inajetovic, Filippo Orazi, A. Macaluso, Stefano Lodi, Claudio Sartori
The postulates of quantum mechanics impose only unitary transformations on quantum states, which is a severe limitation for quantum machine learning algorithms. Quantum Splines (QSplines) have recently been proposed to approximate quantum activation functions to introduce non-linearity in quantum algorithms. However, QSplines make use of the HHL as a subroutine and require a fault-tolerant quantum computer to be correctly implemented. This work proposes the Generalised QSplines (GQSplines), a novel method for approximating non-linear quantum activation functions using hybrid quantum-classical computation. The GQSplines overcome the highly demanding requirements of the original QSplines in terms of quantum hardware and can be implemented using near-term quantum computers. Furthermore, the proposed method relies on a flexible problem representation for non-linear approximation and it is suitable to be embedded in existing quantum neural network architectures. In addition, we provide a practical implementation of GQSplines using Pennylane and show that our model outperforms the original QSplines in terms of quality of fitting.
{"title":"Enabling Non-Linear Quantum Operations through Variational Quantum Splines","authors":"Matteo Antonio Inajetovic, Filippo Orazi, A. Macaluso, Stefano Lodi, Claudio Sartori","doi":"10.48550/arXiv.2303.04788","DOIUrl":"https://doi.org/10.48550/arXiv.2303.04788","url":null,"abstract":"The postulates of quantum mechanics impose only unitary transformations on quantum states, which is a severe limitation for quantum machine learning algorithms. Quantum Splines (QSplines) have recently been proposed to approximate quantum activation functions to introduce non-linearity in quantum algorithms. However, QSplines make use of the HHL as a subroutine and require a fault-tolerant quantum computer to be correctly implemented. This work proposes the Generalised QSplines (GQSplines), a novel method for approximating non-linear quantum activation functions using hybrid quantum-classical computation. The GQSplines overcome the highly demanding requirements of the original QSplines in terms of quantum hardware and can be implemented using near-term quantum computers. Furthermore, the proposed method relies on a flexible problem representation for non-linear approximation and it is suitable to be embedded in existing quantum neural network architectures. In addition, we provide a practical implementation of GQSplines using Pennylane and show that our model outperforms the original QSplines in terms of quality of fitting.","PeriodicalId":125954,"journal":{"name":"International Conference on Conceptual Structures","volume":"81 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-03-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"133246028","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-03-03DOI: 10.48550/arXiv.2303.01760
M. Jančič, Miha Rot, G. Kosec
In this paper, we address a way to reduce the total computational cost of meshless approximation by reducing the required stencil size through spatial variation of computational node regularity. Rather than covering the entire domain with scattered nodes, only regions with geometric details are covered with scattered nodes, while the rest of the domain is discretised with regular nodes. Consequently, in regions covered with regular nodes the approximation using solely the monomial basis can be performed, effectively reducing the required stencil size compared to the approximation on scattered nodes where a set of polyharmonic splines is added to ensure convergent behaviour. The performance of the proposed hybrid scattered-regular approximation approach, in terms of computational efficiency and accuracy of the numerical solution, is studied on natural convection driven fluid flow problems. We start with the solution of the de Vahl Davis benchmark case, defined on square domain, and continue with two- and three-dimensional irregularly shaped domains. We show that the spatial variation of the two approximation methods can significantly reduce the computational complexity, with only a minor impact on the solution accuracy.
{"title":"Spatially-varying meshless approximation method for enhanced computational efficiency","authors":"M. Jančič, Miha Rot, G. Kosec","doi":"10.48550/arXiv.2303.01760","DOIUrl":"https://doi.org/10.48550/arXiv.2303.01760","url":null,"abstract":"In this paper, we address a way to reduce the total computational cost of meshless approximation by reducing the required stencil size through spatial variation of computational node regularity. Rather than covering the entire domain with scattered nodes, only regions with geometric details are covered with scattered nodes, while the rest of the domain is discretised with regular nodes. Consequently, in regions covered with regular nodes the approximation using solely the monomial basis can be performed, effectively reducing the required stencil size compared to the approximation on scattered nodes where a set of polyharmonic splines is added to ensure convergent behaviour. The performance of the proposed hybrid scattered-regular approximation approach, in terms of computational efficiency and accuracy of the numerical solution, is studied on natural convection driven fluid flow problems. We start with the solution of the de Vahl Davis benchmark case, defined on square domain, and continue with two- and three-dimensional irregularly shaped domains. We show that the spatial variation of the two approximation methods can significantly reduce the computational complexity, with only a minor impact on the solution accuracy.","PeriodicalId":125954,"journal":{"name":"International Conference on Conceptual Structures","volume":"79 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-03-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"123346275","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-03-03DOI: 10.48550/arXiv.2303.02023
Jakub Binkowski, Albert Sawczyn, Denis Janiak, Piotr Bielak, Tomasz Kajdanowicz
Graph machine learning models have been successfully deployed in a variety of application areas. One of the most prominent types of models - Graph Neural Networks (GNNs) - provides an elegant way of extracting expressive node-level representation vectors, which can be used to solve node-related problems, such as classifying users in a social network. However, many tasks require representations at the level of the whole graph, e.g., molecular applications. In order to convert node-level representations into a graph-level vector, a so-called readout function must be applied. In this work, we study existing readout methods, including simple non-trainable ones, as well as complex, parametrized models. We introduce a concept of ensemble-based readout functions that combine either representations or predictions. Our experiments show that such ensembles allow for better performance than simple single readouts or similar performance as the complex, parametrized ones, but at a fraction of the model complexity.
{"title":"Graph-level representations using ensemble-based readout functions","authors":"Jakub Binkowski, Albert Sawczyn, Denis Janiak, Piotr Bielak, Tomasz Kajdanowicz","doi":"10.48550/arXiv.2303.02023","DOIUrl":"https://doi.org/10.48550/arXiv.2303.02023","url":null,"abstract":"Graph machine learning models have been successfully deployed in a variety of application areas. One of the most prominent types of models - Graph Neural Networks (GNNs) - provides an elegant way of extracting expressive node-level representation vectors, which can be used to solve node-related problems, such as classifying users in a social network. However, many tasks require representations at the level of the whole graph, e.g., molecular applications. In order to convert node-level representations into a graph-level vector, a so-called readout function must be applied. In this work, we study existing readout methods, including simple non-trainable ones, as well as complex, parametrized models. We introduce a concept of ensemble-based readout functions that combine either representations or predictions. Our experiments show that such ensembles allow for better performance than simple single readouts or similar performance as the complex, parametrized ones, but at a fraction of the model complexity.","PeriodicalId":125954,"journal":{"name":"International Conference on Conceptual Structures","volume":"138 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-03-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"121578057","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-03-03DOI: 10.48550/arXiv.2303.01926
Kamil Tagowski, Piotr Bielak, Jakub Binkowski, Tomasz Kajdanowicz
Learning representations of nodes has been a crucial area of the graph machine learning research area. A well-defined node embedding model should reflect both node features and the graph structure in the final embedding. In the case of dynamic graphs, this problem becomes even more complex as both features and structure may change over time. The embeddings of particular nodes should remain comparable during the evolution of the graph, what can be achieved by applying an alignment procedure. This step was often applied in existing works after the node embedding was already computed. In this paper, we introduce a framework -- RAFEN -- that allows to enrich any existing node embedding method using the aforementioned alignment term and learning aligned node embedding during training time. We propose several variants of our framework and demonstrate its performance on six real-world datasets. RAFEN achieves on-par or better performance than existing approaches without requiring additional processing steps.
{"title":"RAFEN - Regularized Alignment Framework for Embeddings of Nodes","authors":"Kamil Tagowski, Piotr Bielak, Jakub Binkowski, Tomasz Kajdanowicz","doi":"10.48550/arXiv.2303.01926","DOIUrl":"https://doi.org/10.48550/arXiv.2303.01926","url":null,"abstract":"Learning representations of nodes has been a crucial area of the graph machine learning research area. A well-defined node embedding model should reflect both node features and the graph structure in the final embedding. In the case of dynamic graphs, this problem becomes even more complex as both features and structure may change over time. The embeddings of particular nodes should remain comparable during the evolution of the graph, what can be achieved by applying an alignment procedure. This step was often applied in existing works after the node embedding was already computed. In this paper, we introduce a framework -- RAFEN -- that allows to enrich any existing node embedding method using the aforementioned alignment term and learning aligned node embedding during training time. We propose several variants of our framework and demonstrate its performance on six real-world datasets. RAFEN achieves on-par or better performance than existing approaches without requiring additional processing steps.","PeriodicalId":125954,"journal":{"name":"International Conference on Conceptual Structures","volume":"157 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-03-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"121782675","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-03-03DOI: 10.48550/arXiv.2303.02252
Andrej Kolar-Pozun, M. Jančič, Miha Rot, G. Kosec
When solving partial differential equations on scattered nodes using the Radial Basis Function generated Finite Difference (RBF-FD) method, one of the parameters that must be chosen is the stencil size. Focusing on Polyharmonic Spline RBFs with monomial augmentation, we observe that it affects the approximation accuracy in a particularly interesting way - the solution error oscillates under increasing stencil size. We find that we can connect this behaviour with the spatial dependence of the signed approximation error. Based on this observation we are then able to introduce a numerical quantity that indicates whether a given stencil size is locally optimal.
{"title":"Oscillatory behaviour of the RBF-FD approximation accuracy under increasing stencil size","authors":"Andrej Kolar-Pozun, M. Jančič, Miha Rot, G. Kosec","doi":"10.48550/arXiv.2303.02252","DOIUrl":"https://doi.org/10.48550/arXiv.2303.02252","url":null,"abstract":"When solving partial differential equations on scattered nodes using the Radial Basis Function generated Finite Difference (RBF-FD) method, one of the parameters that must be chosen is the stencil size. Focusing on Polyharmonic Spline RBFs with monomial augmentation, we observe that it affects the approximation accuracy in a particularly interesting way - the solution error oscillates under increasing stencil size. We find that we can connect this behaviour with the spatial dependence of the signed approximation error. Based on this observation we are then able to introduce a numerical quantity that indicates whether a given stencil size is locally optimal.","PeriodicalId":125954,"journal":{"name":"International Conference on Conceptual Structures","volume":"61 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-03-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"133941163","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-02-14DOI: 10.1007/978-3-031-36027-5_31
G. Margazoglou, L. Magri
{"title":"Data-Driven Stability Analysis of a Chaotic Time-Delayed System","authors":"G. Margazoglou, L. Magri","doi":"10.1007/978-3-031-36027-5_31","DOIUrl":"https://doi.org/10.1007/978-3-031-36027-5_31","url":null,"abstract":"","PeriodicalId":125954,"journal":{"name":"International Conference on Conceptual Structures","volume":"19 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-02-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"134143760","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-02-07DOI: 10.48550/arXiv.2302.03536
Jonas Nusslein, Sebastian Zieliński, Thomas Gabor, Claudia Linnhoff-Popien, Sebastian Feld
We introduce a novel approach to translate arbitrary 3-SAT instances to Quadratic Unconstrained Binary Optimization (QUBO) as they are used by quantum annealing (QA) or the quantum approximate optimization algorithm (QAOA). Our approach requires fewer couplings and fewer physical qubits than the current state-of-the-art, which results in higher solution quality. We verified the practical applicability of the approach by testing it on a D-Wave quantum annealer.
{"title":"Solving (Max) 3-SAT via Quadratic Unconstrained Binary Optimization","authors":"Jonas Nusslein, Sebastian Zieliński, Thomas Gabor, Claudia Linnhoff-Popien, Sebastian Feld","doi":"10.48550/arXiv.2302.03536","DOIUrl":"https://doi.org/10.48550/arXiv.2302.03536","url":null,"abstract":"We introduce a novel approach to translate arbitrary 3-SAT instances to Quadratic Unconstrained Binary Optimization (QUBO) as they are used by quantum annealing (QA) or the quantum approximate optimization algorithm (QAOA). Our approach requires fewer couplings and fewer physical qubits than the current state-of-the-art, which results in higher solution quality. We verified the practical applicability of the approach by testing it on a D-Wave quantum annealer.","PeriodicalId":125954,"journal":{"name":"International Conference on Conceptual Structures","volume":"35 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-02-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"129173931","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-02-03DOI: 10.48550/arXiv.2302.10779
Elise Özalp, G. Margazoglou, L. Magri
We present the Physics-Informed Long Short-Term Memory (PI-LSTM) network to reconstruct and predict the evolution of unmeasured variables in a chaotic system. The training is constrained by a regularization term, which penalizes solutions that violate the system's governing equations. The network is showcased on the Lorenz-96 model, a prototypical chaotic dynamical system, for a varying number of variables to reconstruct. First, we show the PI-LSTM architecture and explain how to constrain the differential equations, which is a non-trivial task in LSTMs. Second, the PI-LSTM is numerically evaluated in the long-term autonomous evolution to study its ergodic properties. We show that it correctly predicts the statistics of the unmeasured variables, which cannot be achieved without the physical constraint. Third, we compute the Lyapunov exponents of the network to infer the key stability properties of the chaotic system. For reconstruction purposes, adding the physics-informed loss qualitatively enhances the dynamical behaviour of the network, compared to a data-driven only training. This is quantified by the agreement of the Lyapunov exponents. This work opens up new opportunities for state reconstruction and learning of the dynamics of nonlinear systems.
{"title":"Physics-Informed Long Short-Term Memory for Forecasting and Reconstruction of Chaos","authors":"Elise Özalp, G. Margazoglou, L. Magri","doi":"10.48550/arXiv.2302.10779","DOIUrl":"https://doi.org/10.48550/arXiv.2302.10779","url":null,"abstract":"We present the Physics-Informed Long Short-Term Memory (PI-LSTM) network to reconstruct and predict the evolution of unmeasured variables in a chaotic system. The training is constrained by a regularization term, which penalizes solutions that violate the system's governing equations. The network is showcased on the Lorenz-96 model, a prototypical chaotic dynamical system, for a varying number of variables to reconstruct. First, we show the PI-LSTM architecture and explain how to constrain the differential equations, which is a non-trivial task in LSTMs. Second, the PI-LSTM is numerically evaluated in the long-term autonomous evolution to study its ergodic properties. We show that it correctly predicts the statistics of the unmeasured variables, which cannot be achieved without the physical constraint. Third, we compute the Lyapunov exponents of the network to infer the key stability properties of the chaotic system. For reconstruction purposes, adding the physics-informed loss qualitatively enhances the dynamical behaviour of the network, compared to a data-driven only training. This is quantified by the agreement of the Lyapunov exponents. This work opens up new opportunities for state reconstruction and learning of the dynamics of nonlinear systems.","PeriodicalId":125954,"journal":{"name":"International Conference on Conceptual Structures","volume":"13 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-02-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"114578305","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-02-02DOI: 10.1007/978-3-031-36027-5_26
Nikolaos Bempedelis, L. Magri
{"title":"Bayesian Optimization of the Layout of Wind Farms with a High-Fidelity Surrogate Model","authors":"Nikolaos Bempedelis, L. Magri","doi":"10.1007/978-3-031-36027-5_26","DOIUrl":"https://doi.org/10.1007/978-3-031-36027-5_26","url":null,"abstract":"","PeriodicalId":125954,"journal":{"name":"International Conference on Conceptual Structures","volume":"44 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-02-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"123558166","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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