{"title":"Fast sampling from time-integrated bridges using deep learning","authors":"Leonardo Perotti , Lech A. Grzelak","doi":"10.1016/j.jcmds.2022.100060","DOIUrl":"10.1016/j.jcmds.2022.100060","url":null,"abstract":"<div><p>We propose a methodology for sampling from time-integrated stochastic bridges, i.e., random variables defined as <span><math><mrow><msubsup><mrow><mo>∫</mo></mrow><mrow><msub><mrow><mi>t</mi></mrow><mrow><mn>1</mn></mrow></msub></mrow><mrow><msub><mrow><mi>t</mi></mrow><mrow><mn>2</mn></mrow></msub></mrow></msubsup><mi>f</mi><mrow><mo>(</mo><mi>Y</mi><mrow><mo>(</mo><mi>t</mi><mo>)</mo></mrow><mo>)</mo></mrow><mi>d</mi><mi>t</mi></mrow></math></span> conditional on <span><math><mrow><mi>Y</mi><mrow><mo>(</mo><msub><mrow><mi>t</mi></mrow><mrow><mn>1</mn></mrow></msub><mo>)</mo></mrow><mspace></mspace><mo>=</mo><mspace></mspace><mi>a</mi></mrow></math></span> and <span><math><mrow><mi>Y</mi><mrow><mo>(</mo><msub><mrow><mi>t</mi></mrow><mrow><mn>2</mn></mrow></msub><mo>)</mo></mrow><mspace></mspace><mo>=</mo><mspace></mspace><mi>b</mi></mrow></math></span>, with <span><math><mrow><mi>a</mi><mo>,</mo><mi>b</mi><mo>∈</mo><mi>R</mi></mrow></math></span>. The techniques developed in Grzelak et al. (2019) – the Stochastic Collocation Monte Carlo sampler – and in Liu et al. (2020) – the Seven-League scheme – are applied for this purpose. Notably, the time-integrated bridge distribution is approximated using a polynomial chaos expansion constructed over an appropriate set of stochastic collocation points. In addition, artificial neural networks are employed to learn the collocation points. The result is a robust, data-driven procedure for Monte Carlo sampling from time-integrated conditional processes, which guarantees high accuracy and generates thousands of samples in milliseconds. Applications are also presented, with a focus on finance.</p></div>","PeriodicalId":100768,"journal":{"name":"Journal of Computational Mathematics and Data Science","volume":"5 ","pages":"Article 100060"},"PeriodicalIF":0.0,"publicationDate":"2022-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2772415822000207/pdfft?md5=305a6ab11208f407d10fd97dc71efcd6&pid=1-s2.0-S2772415822000207-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"88032720","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"A treecode algorithm based on tricubic interpolation","authors":"Henry A. Boateng , Svetlana Tlupova","doi":"10.1016/j.jcmds.2022.100068","DOIUrl":"10.1016/j.jcmds.2022.100068","url":null,"abstract":"<div><p>Treecode algorithms efficiently approximate N-body interactions in <span><math><mrow><mi>O</mi><mrow><mo>(</mo><mi>N</mi><mo>)</mo></mrow></mrow></math></span> or <span><math><mrow><mi>O</mi><mrow><mo>(</mo><mi>N</mi><mtext>log</mtext><mi>N</mi><mo>)</mo></mrow></mrow></math></span>. In order to treat general 3D kernels, recent developments employ polynomial interpolation to approximate the kernels. The polynomials are a tensor product of 1-dimensional polynomials. Here, we develop an <span><math><mrow><mi>O</mi><mrow><mo>(</mo><mi>N</mi><mtext>log</mtext><mi>N</mi><mo>)</mo></mrow></mrow></math></span> tricubic interpolation based treecode method for 3D kernels. The tricubic interpolation is inherently three-dimensional and as such does not employ a tensor product. The form allows for easy evaluation of the derivatives of the kernel, required in dynamical simulations, which is not the case for the tensor product approach. We develop both a particle-cluster and cluster-particle variants and present results for the Coulomb, screened Coulomb and the real space Ewald kernels. We also present results of an MD simulation of a Lennard-Jones liquid using the tricubic treecode.</p></div>","PeriodicalId":100768,"journal":{"name":"Journal of Computational Mathematics and Data Science","volume":"5 ","pages":"Article 100068"},"PeriodicalIF":0.0,"publicationDate":"2022-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2772415822000281/pdfft?md5=3c134f39c68f4ef44c46526b17abbfdc&pid=1-s2.0-S2772415822000281-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"77535957","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Fereshteh R. Dastjerdi , David A. Robinson , Liming Cai
{"title":"α-HMM and optimal decoding higher-order structures on sequential data","authors":"Fereshteh R. Dastjerdi , David A. Robinson , Liming Cai","doi":"10.1016/j.jcmds.2022.100065","DOIUrl":"10.1016/j.jcmds.2022.100065","url":null,"abstract":"<div><p>Decoding higher-order structure on sequential data is an indispensable task in data science. It requires models to have the capability to characterize interdependencies among hidden events that have generated observable data. However, to be able to decode arbitrary structures, such models would need to cope with the intractability arising from computing context-sensitive relations, likely compromising the quality of answers. To address this important issue, the current paper introduces the <em>arbitrary order hidden Markov model</em> (<span><math><mi>α</mi></math></span>-HMM), an extension of the HMM that permits decoding of the optimal higher-order structure with an assurance of computational tractability. The advantage of the <span><math><mi>α</mi></math></span>-HMM<!--> <!-->is made possible by an identified principle on how random variables influence each other in a stochastic process. In particular, it is shown that decoding the optimal structure with an <span><math><mi>α</mi></math></span>-HMM<!--> <!-->can be computed in <span><math><mrow><mi>O</mi><mrow><mo>(</mo><msup><mrow><mi>n</mi></mrow><mrow><mn>3</mn></mrow></msup><mo>)</mo></mrow></mrow></math></span>-time for any stochastic process of <span><math><mi>n</mi></math></span> random variables. As an application, it is demonstrated the decoding algorithm inspires a simple yet effective algorithm for RNA secondary structure prediction.</p></div>","PeriodicalId":100768,"journal":{"name":"Journal of Computational Mathematics and Data Science","volume":"5 ","pages":"Article 100065"},"PeriodicalIF":0.0,"publicationDate":"2022-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2772415822000256/pdfft?md5=dbdeefc075425bee6733e90b348391d6&pid=1-s2.0-S2772415822000256-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"91428549","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Pipeline to identify dominant features in spatial data","authors":"Roman Flury , Reinhard Furrer","doi":"10.1016/j.jcmds.2022.100063","DOIUrl":"10.1016/j.jcmds.2022.100063","url":null,"abstract":"<div><p>Dominant-feature identification decomposes spatial data into several additive components to make different features apparent on each component. It recognizes their dominant features credibly and assesses feature attributes. This paper describes the pipeline to apply this method to regular and irregular lattice data as well as geostatistical data. These implementations are all openly available and templates for each case are provided in an associated git repository. As geostatistical data is typically large, we propose several efficient approximations suitable for such data. Emphasizing the use of these approximations in the context of dominant-feature identification, we apply them to data from a climate model describing the monthly mean diurnal range for the period between the years 2081 and 2100.</p></div>","PeriodicalId":100768,"journal":{"name":"Journal of Computational Mathematics and Data Science","volume":"5 ","pages":"Article 100063"},"PeriodicalIF":0.0,"publicationDate":"2022-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2772415822000232/pdfft?md5=0e0bc9b76dd06eb66d1da02b06ee7421&pid=1-s2.0-S2772415822000232-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"81531608","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
B.V. Swarnalathamma , D.M. Praveen Babu , M. Veera Krishna
{"title":"Combined impacts of Radiation absorption and Chemically reacting on MHD Free Convective Casson fluid flow past an infinite vertical inclined porous plate","authors":"B.V. Swarnalathamma , D.M. Praveen Babu , M. Veera Krishna","doi":"10.1016/j.jcmds.2022.100069","DOIUrl":"10.1016/j.jcmds.2022.100069","url":null,"abstract":"<div><p>In the current investigation, it is explored the unsteady MHD free convective Casson fluid movement over a boundless straight up inclined absorbent plate with heat source and/or heat absorption. The established equations are subsequently solved thoroughly by utilize of perturbation method. The velocity, temperature as well as concentration profiles are shown in graphical profiles. The consequences on the stream region for disparate foremost parameter had been investigated. Furthermore the skin friction factor, Nusselt number in addition to Sherwood numbers are found by the disparate foremost parameters as well as revealed in the tabular formats. The velocity reduces by an escalating into the chemical reaction constraint in addition to improved by an enhancement into heat resources parameters. The temperatures fields reduce by an enhancement into the Prandtl number, whereas it enlarges with an augment in temperature absorption parameter. The concentration field is enhances with an escalating into the chemical reaction constraint, while this retards by an enhancing into Schmidt number.</p></div>","PeriodicalId":100768,"journal":{"name":"Journal of Computational Mathematics and Data Science","volume":"5 ","pages":"Article 100069"},"PeriodicalIF":0.0,"publicationDate":"2022-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2772415822000293/pdfft?md5=c78d420cfd49df7a2f310d9376a4ca8c&pid=1-s2.0-S2772415822000293-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"86494631","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"A review on the selection criteria for the truncated SVD in Data Science applications","authors":"Antonella Falini","doi":"10.1016/j.jcmds.2022.100064","DOIUrl":"10.1016/j.jcmds.2022.100064","url":null,"abstract":"<div><p>The Singular Value Decomposition (SVD) is one of the most used factorizations when it comes to Data Science applications. In particular, given the big size of the processed matrices, in most of the cases, a truncated SVD algorithm is employed. In the following manuscript, we review some of the state-of-the-art approaches considered for the selection of the number of components (i.e., singular values) to retain to apply the truncated SVD. Moreover, three new approaches based on the Kullback–Leibler divergence and on unsupervised anomaly detection algorithms, are introduced. The revised methods are then compared on some standard benchmarks in the image processing context.</p></div>","PeriodicalId":100768,"journal":{"name":"Journal of Computational Mathematics and Data Science","volume":"5 ","pages":"Article 100064"},"PeriodicalIF":0.0,"publicationDate":"2022-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2772415822000244/pdfft?md5=c82db1b06d3855b71bbc4c4f00794338&pid=1-s2.0-S2772415822000244-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"86816951","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Effects of viscous dissipation and thermal radiation on time dependent incompressible squeezing flow of CuO−Al2O3/water hybrid nanofluid between two parallel plates with variable viscosity","authors":"O.A. Famakinwa, O.K. Koriko, K.S. Adegbie","doi":"10.1016/j.jcmds.2022.100062","DOIUrl":"10.1016/j.jcmds.2022.100062","url":null,"abstract":"<div><p>In view of the dominant properties of hybrid nanofluid such as high thermal and electrical conductivity in addition to enhanced heat transfer rate, efforts had been strengthened by many researchers to upgrade the thermal behavior of the base fluid through different approaches. In this study, viscous dissipation and thermal radiation effects on unsteady incompressible squeezing flow conveying <span><math><mrow><mi>C</mi><mi>u</mi><mi>O</mi><mo>−</mo><mi>A</mi><msub><mrow><mi>l</mi></mrow><mrow><mn>2</mn></mrow></msub><msub><mrow><mi>O</mi></mrow><mrow><mn>3</mn></mrow></msub><mo>/</mo></mrow></math></span>water hybrid nanoparticles between two aligned surfaces with variable viscosity is examined. The fluid model is transformed to ordinary differential equations by incorporating appropriate similarity transformation. The numerical simulation is carried out in MATLAB software package via shooting procedure coupled with <span><math><mrow><mn>4</mn><mi>t</mi><mi>h</mi></mrow></math></span> order Runge–Kutta integration scheme. The limiting case is found to be in accord relative to the preceding reports. The outcomes of the scrutiny are unveiled in tables and graphs. It was revealed that the velocity and temperature augment with increasing viscosity variation and squeezing fluid parameters. Meanwhile, increasing viscous dissipation and thermal radiation parameters decrease the temperature distribution with no significant change in the fluid velocity.</p></div>","PeriodicalId":100768,"journal":{"name":"Journal of Computational Mathematics and Data Science","volume":"5 ","pages":"Article 100062"},"PeriodicalIF":0.0,"publicationDate":"2022-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2772415822000220/pdfft?md5=9424e5a9e389ee13b5970c55ab05f778&pid=1-s2.0-S2772415822000220-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"87594959","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Stefano De Marchi , Federico Lot , Francesco Marchetti , Davide Poggiali
{"title":"Variably Scaled Persistence Kernels (VSPKs) for persistent homology applications","authors":"Stefano De Marchi , Federico Lot , Francesco Marchetti , Davide Poggiali","doi":"10.1016/j.jcmds.2022.100050","DOIUrl":"10.1016/j.jcmds.2022.100050","url":null,"abstract":"<div><p>In recent years, various kernels have been proposed in the context of <em>persistent homology</em> to deal with <em>persistence diagrams</em> in supervised learning approaches. In this paper, we consider the idea of variably scaled kernels, for approximating functions and data, and we interpret it in the framework of persistent homology. We call them <em>Variably Scaled Persistence Kernels (VSPKs)</em>. These new kernels are then tested in different classification experiments. The obtained results show that they can improve the performance and the efficiency of existing standard kernels.</p></div>","PeriodicalId":100768,"journal":{"name":"Journal of Computational Mathematics and Data Science","volume":"4 ","pages":"Article 100050"},"PeriodicalIF":0.0,"publicationDate":"2022-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2772415822000153/pdfft?md5=2a0641fa2440016bd9baecb2f96d656e&pid=1-s2.0-S2772415822000153-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"88294881","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Davide Poggiali , Diego Cecchin , Stefano De Marchi
{"title":"Reducing the Gibbs effect in multimodal medical imaging by the Fake Nodes approach","authors":"Davide Poggiali , Diego Cecchin , Stefano De Marchi","doi":"10.1016/j.jcmds.2022.100040","DOIUrl":"10.1016/j.jcmds.2022.100040","url":null,"abstract":"<div><p>It is a common practice in multimodal medical imaging to undersample the anatomically-derived segmentation images to measure the mean activity of a co-acquired functional image. This practice avoids the resampling-related Gibbs effect that would occur in oversampling the functional image. As sides effect, waste of time and efforts are produced since the anatomical segmentation at full resolution is performed in many hours of computations or manual work. In this work we explain the commonly-used resampling methods and give errors bound in the cases of continuous and discontinuous signals. Then we propose a Fake Nodes scheme for image resampling designed to reduce the Gibbs effect when oversampling the functional image. This new approach is compared to the traditional counterpart in two significant experiments, both showing that Fake Nodes resampling gives smaller errors at the cost of an higher computational time.</p></div>","PeriodicalId":100768,"journal":{"name":"Journal of Computational Mathematics and Data Science","volume":"4 ","pages":"Article 100040"},"PeriodicalIF":0.0,"publicationDate":"2022-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2772415822000104/pdfft?md5=7a8ef02a33b4c573231207bd94e4a5db&pid=1-s2.0-S2772415822000104-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"75582469","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Deep learning, stochastic gradient descent and diffusion maps","authors":"Carmina Fjellström, Kaj Nyström","doi":"10.1016/j.jcmds.2022.100054","DOIUrl":"https://doi.org/10.1016/j.jcmds.2022.100054","url":null,"abstract":"<div><p>Stochastic gradient descent (SGD) is widely used in deep learning due to its computational efficiency, but a complete understanding of why SGD performs so well remains a major challenge. It has been observed empirically that most eigenvalues of the Hessian of the loss functions on the loss landscape of over-parametrized deep neural networks are close to zero, while only a small number of eigenvalues are large. Zero eigenvalues indicate zero diffusion along the corresponding directions. This indicates that the process of minima selection mainly happens in the relatively low-dimensional subspace corresponding to the top eigenvalues of the Hessian. Although the parameter space is very high-dimensional, these findings seems to indicate that the SGD dynamics may mainly live on a low-dimensional manifold. In this paper, we pursue a truly data driven approach to the problem of getting a potentially deeper understanding of the high-dimensional parameter surface, and in particular, of the landscape traced out by SGD by analyzing the data generated through SGD, or any other optimizer for that matter, in order to possibly discover (local) low-dimensional representations of the optimization landscape. As our vehicle for the exploration, we use diffusion maps introduced by R. Coifman and coauthors.</p></div>","PeriodicalId":100768,"journal":{"name":"Journal of Computational Mathematics and Data Science","volume":"4 ","pages":"Article 100054"},"PeriodicalIF":0.0,"publicationDate":"2022-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2772415822000177/pdfft?md5=38c0dff05f24faf5b0990bd6aa9fd984&pid=1-s2.0-S2772415822000177-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"137407104","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}