Abstract
Multivariate functions have a central place in the development of techniques present many domains, such as machine learning and optimization research. However, only a few visual techniques exist to help users understand such multivariate problems, especially in the case of functions that depend on complex algorithms and variable constraints. In this paper, we propose a technique that enables the visualization of high-dimensional surfaces defined by such multivariate functions using a two-dimensional pixel map. We demonstrate two variants of it, OptMap, focused on optimization problems, and RegSurf, focused on regression problems in machine learning. Both our techniques are simple to implement, computationally efficient, and generic with respect to the nature of the high-dimensional data they address. We show how the two techniques can be used to visually explore a wide variety of optimization and regression problems.
Similar content being viewed by others
Availability of Data and Materials
Not applicable.
Code Availability
Our implementation, plus all codes used in our experiments, are publicly available at github.com/mespadoto/optmap.
References
Pedregosa F, Varoquaux G, Gramfort A, Michel V, Thirion B, Grisel O, Blondel M, Prettenhofer P, Weiss R, Dubourg V, Vanderplas J, Passos A, Cournapeau D, Brucher M, Perrot M, Duchesnay E. Scikit-learn: machine learning in python. JMLR. 2011;12:2825–30.
Krizhevsky A, Sutskever I, Hinton G. Imagenet classification with deep convolutional neural networks. In: Advances in neural information processing systems (NIPS). 2012. p. 1097–1105.
Brooke A, Kendrick D, Meeraus A, Raman R, America U. The general algebraic modeling system. GAMS Development Corporation. 1998. p. 1050.
Fourer R, Gay DM, Kernighan BW. A modeling language for mathematical programming. Thomson: AMPL; 2003.
Dunning I, Huchette J, Lubin M. JuMP: a modeling language for mathematical optimization. SIAM Rev. 2017;59(2):295–320.
Liu S, Maljovec D, Wang B, Bremer P-T, Pascucci V. Visualizing high-dimensional data: advances in the past decade. IEEE TVCG. 2015;23(3):1249–68.
Espadoto M, Rodrigues FCM, Hirata NS, Telea AC. OptMap: using dense maps for visualizing multidimensional optimization problems. In: VISIGRAPP (3: IVAPP). 2021. p. 123–132.
Guenin B, Könemann J, Tuncel L. A gentle introduction to optimization. UK: Cambridge University Press; 2014.
Dantzig GB. Origins of the simplex method. In: A history of scientific computing. 1990. p. 141–151.
Kantorovich LV. Mathematical methods of organizing and planning production. Manage Sci. 1960;6(4):366–422.
Forrest J, Vigerske S, Ralphs T, Hafer L, jpfasano Santos HG, Saltzman M, h-i-gassmann Kristjansson B, King A. coin-or/Clp 2020.
Forrest J, Vigerske S, Santos HG, Ralphs T, Hafer L, Kristjansson B, jpfasano Straver E, Lubin M, rlougee jpgoncal1 h-i-gassmann, Saltzman M. coin-or/Cbc 2020.
Makhorin A. GLPK: GNU Linear Programming Kit. 2008. https://www.gnu.org/software/glpk/glpk.html.
Nelder JA, Mead R. A simplex method for function minimization. Comput J. 1965;7(4):308–13.
Liu DC, Nocedal J. On the limited memory BFGS method for large scale optimization. Math Program. 1989;45(1–3):503–28.
Breiman L, Friedman JH, Olshen RA, Stone CJ. Classification and regression trees. USA: Routledge; 2017.
Breiman L. Random forests. Mach Learn. 2001;45(1):5–32.
Friedman JH. Greedy function approximation: a gradient boosting machine. Ann Stat. 2001;1189–1232.
Lundberg SM, Lee S-I. A unified approach to interpreting model predictions. In: Proceedings of the 31st international conference on neural information processing systems. 2017. p. 4768–4777.
Ribeiro MT, Singh S, Guestrin C. Why should I trust you?: explaining the predictions of any classifier. In: Proc. ACM SIGMOD KDD. 2016. p. 1135–1144.
Rodrigues F, Espadoto M, Hirata R, Telea AC. Constructing and visualizing high-quality classifier decision boundary maps. Information. 2019;10(9):280.
Garcia R, Telea A, da Silva B, Torresen J, Comba J. A task-and-technique centered survey on visual analytics for deep learning model engineering. Comput Gr. 2018;77:30–49.
Buja A, Cook D, Swayne DF. Interactive high-dimensional data visualization. J Comput Gr Stat. 1996;5(1):78–99.
Bertini E, Tatu A, Keim D. Quality metrics in high-dimensional data visualization: an overview and systematization. IEEE TVCG. 2011;17(12):2203–12.
Rao R, Card SK. The table lens: merging graphical and symbolic representations in an interactive focus+context visualization for tabular information. In: Proc. ACM SIGCHI. 1994. p. 318–322.
Telea AC. Combining extended table lens and treemap techniques for visualizing tabular data. In: Proc. EuroVis. 2006. p. 120–127.
Inselberg A, Dimsdale B. Parallel coordinates: a tool for visualizing multi-dimensional geometry. In: Proc. IEEE visualization. 1990. p. 361–378.
Yates A, Webb A, Sharpnack M, Chamberlin H, Huang K, Machiraju R. Visualizing multidimensional data with glyph SPLOMs. Comput Gr Forum. 2014;33(3):301–10.
van Wijk JJ, van Liere R. Hyperslice. In: Proc. visualization. IEEE. 1993. p. 119–125.
Piringer H, Berger W, Krasser J. HyperMoVal: interactive visual validation of regression models for real-time simulation. Comput Gr Forum. 2010;29(10):983–92.
Crawfis PBRWR. Isosurfacing in higher dimensions. In: Proc. IEEE visualization. 2010.
Gerber S, Bremer P-T, Pascucci V, Whitaker R. Visual exploration of high dimensional scalar functions. IEEE TVCG. 2010;16(6):1271–80.
Wicklin R. Visualize the feasible region for a constrained optimization. SAS. 2018.
Espadoto M, Martins RM, Kerren A, Hirata NS, Telea AC. Towards a quantitative survey of dimension reduction techniques. IEEE TVCG. 2019;27(3):2153–73.
Jolliffe IT. Principal component analysis and factor analysis. In: Principal component analysis. Berlin: Springer. 1986. p. 115–128.
Torgerson WS. Theory and methods of scaling. Oxford: Wiley; 1958.
Tenenbaum JB, Silva VD, Langford JC. A global geometric framework for nonlinear dimensionality reduction. Science. 2000;290(5500):2319–23.
Roweis ST, Saul LLK. Nonlinear dimensionality reduction by locally linear embedding. Science. 2000;290(5500):2323–6.
McInnes L, Healy J. UMAP: uniform manifold approximation and projection for dimension reduction (2018). arXiv:1802.03426v1 [stat.ML].
Joia P, Coimbra D, Cuminato JA, Paulovich FV, Nonato LG. Local affine multidimensional projection. IEEE TVCG. 2011;17(12):2563–71.
Paulovich FV, Nonato LG, Minghim R, Levkowitz H. Least square projection: a fast high-precision multidimensional projection technique and its application to document mapping. IEEE TVCG. 2008;14(3):564–75.
Maaten LVD, Hinton G. Visualizing data using t-SNE. JMLR. 2008;9:2579–605.
Nonato L, Aupetit M. Multidimensional projection for visual analytics: linking techniques with distortions, tasks, and layout enrichment. IEEE TVCG. 2018.
Amorim E, Brazil EV, Daniels J, Joia P, Nonato LG, Sousa MC. iLAMP: exploring high-dimensional spacing through backward multidimensional projection. In: Proc. IEEE VAST. 2012. p. 53–62.
Espadoto M, Rodrigues FCM, Hirata NST, Hirata Jr, R, Telea AC. Deep learning inverse multidimensional projections. In: Proc. EuroVA. 2019.
Espadoto M, Hirata N, Telea A. Deep learning multidimensional projections. Inf Vis. 2020.
Hunter JD. Matplotlib: a 2d graphics environment. Comput Sci Eng. 2007;9(3):90–5.
Rosenbrock H. An automatic method for finding the greatest or least value of a function. Comput J. 1960;3(3):175–84.
Rastrigin LA. Systems of extremal control. Nauka. 1974.
Styblinski M, Tang T-S. Experiments in nonconvex optimization: stochastic approximation with function smoothing and simulated annealing. Neural Netw. 1990;3(4):467–83.
Hager WW, Zhang H. Algorithm 851: CG_DESCENT, a conjugate gradient method with guaranteed descent. ACM Trans Math Softw. 2006;32(1):113–37.
Wächter A, Biegler LT. On the implementation of an interior-point filter line-search algorithm for large-scale nonlinear programming. Math Program. 2006;106(1):25–57.
Vito SD, Massera E, Piga M, Martinotto L, Francia GD. On field calibration of an electronic nose for benzene estimation in an urban pollution monitoring scenario. Sens Actuators B Chem. 2008;129(2):750–757. https://archive.ics.uci.edu/ml/datasets/Air+Quality
Henderson HV, Velleman PF. Building multiple regression models interactively. Biometrics. 1981;391–411.
Harrison D Jr, Rubinfeld DL. Hedonic housing prices and the demand for clean air. J Environ Econ Manag. 1978;5(1):81–102.
Yeh I-C. Modeling of strength of high-performance concrete using artificial neural networks. Cem Concr Res. 1998;28(12):1797–808.
Hamidieh K. A data-driven statistical model for predicting the critical temperature of a superconductor. Comput Mater Sci. 2018;154:346–54.
Ferreira R, Affonso C, Sassi R. Combination of artificial intelligence techniques for prediction the behavior of urban vehicular traffic in the city of são paulo. In: 10th Brazilian congress on computational intelligence (CBIC)-Fortaleza, Ceara, Brazil. 2011. p. 1–7.
Cortez P, Cerdeira A, Almeida F, Matos T, Reis J. Modeling wine preferences by data mining from physicochemical properties. Decis Support Syst. 2009;47(4):547–53.
Martins R, Coimbra D, Minghim R, Telea A. Visual analysis of dimensionality reduction quality for parameterized projections. Comput Gr. 2014;41:26–42.
Silva Rd, Rauber P, Martins R, Minghim R, Telea AC. Attribute-based visual explanation of multidimensional projections. In: Proc. EuroVA. 2015.
van Driel D, Zhai X, Tian Z, Telea A. Enhanced attribute-based explanations of multidimensional projections. In: Proc. EuroVA. 2020.
Tian Z, Zhai X, van Driel D, van Steenpaal G, Espadoto M, Telea A. Using multiple attribute-based explanations of multidimensional projections to explore high-dimensional data. Comput Gr. 2021;98:93–104.
Rahaman M, Li C, Yao Y, Kulwa F, Rahman MA, Wang Q, Qi S, Kong F, Zhu X, Zhao X. Identification of COVID-19 samples from chest X-ray images using deep learning: a comparison of transfer learning approaches. J Xray Sci Technol. 2020;28(5):821–39.
Chen H, Li C, Wang G, Li X, Rahaman M, Sun H, Hu W, Li Y, Liu W, Sun C, Ai S, Grzegorzek M. GasHis-transformer: a multi-scale visual transformer approach for gastric histopathological image detection. Pattern Recogn. 2022;130:108827.
Liu W, Li C, Xu N, Jiang T, Rahaman M, Sun H, Wu X, Hu W, Chen H, Sun C, Yao Y, Grzegorzek M. CVM-Cervix: a hybrid cervical Pap-smear image classification framework using CNN, visual transformer and multilayer perceptron. Pattern Recogn. 2022;130:108829.
Zhang J, Li C, Kosov S, Grzegorzek M, Shirahamad K, Jiang T, Sun C, Li Z, Li H. LCU-Net: a novel low-cost U-Net for environmental microorganism image segmentation. Pattern Recogn. 2021;115:107885.
Rahaman M, Li C, Yao Y, Kulwa F, Wu X, Li X, Wang Q. DeepCervix: a deep learning-based framework for the classification of cervical cells using hybrid deep feature fusion techniques. Comput Biol Med. 2021;136:104649.
Bezanson J, Edelman A, Karpinski S, Shah VB. Julia: a fresh approach to numerical computing. SIAM Rev. 2017;59(1):65–98.
Mogensen PK, Riseth AN. Optim: a mathematical optimization package for Julia. J Open Sour Softw. 2018;3(24):615.
Blaom AD, Kiraly F, Lienart T, Simillides Y, Arenas D, Vollmer SJ. MLJ: a Julia package for composable machine learning. 2020. arXiv preprint arXiv:2007.12285.
Funding
This study was financed in part by FAPESP under Grant Nos. 2015/22308-2, 2017/25835-9, and 2020/13275-1, and the Coordenação de Aperfeiçoamento de Pessoal de Nível Superior—Brasil (CAPES)—Finance Code 001.
Author information
Authors and Affiliations
Contributions
Not applicable.
Corresponding author
Ethics declarations
Conflict of interest
On behalf of all authors, the corresponding author states that there is no conflict of interest.
Ethics approval
Not applicable.
Consent to participate
Not applicable.
Consent for publication
Not applicable.
Additional information
Publisher's Note
Springer Nature remains neutral with regard to jurisdictional claims in published maps and institutional affiliations.
This article is part of the topical collection “Computer Vision, Imaging and Computer Graphics Theory and Applications” guest edited by Jose Braz, A. Augusto Sousa, Alexis Paljic, Christophe Hurter, and Giovanni Maria Farinella.
Appendix 1: Implementation details
Appendix 1: Implementation details
We implemented OptMap and RegSurf in Julia [69] using the open-source software libraries in Table 8. The optimization examples (“OptMap: Test via High‑Dimensional Functions”, OptMap: Solvers for Unconstrained Problems and “OptMap Performance”) were implemented using Optim [70] for the unconstrained problems, and JuMP [5] for the constrained problems, using the solvers Clp [11], Cbc [12], GLPK [13], and Ipopt [52]. The regression examples (“RegSurf: Real‑World Datasets” and “RegSurf: Visualizing Overfitting”) were implemented using the MLJ library [71]. Our implementation, plus all code used in our experiments, are publicly available at github.com/mespadoto/optmap.
The scalability experiments discussed in “OptMap Performance” and “RegSurf Performance” were executed, respectively, on a 4-core Intel Xeon E3-1240 v6 at 3.7 GHz with 64 GB RAM, and on a dual 16-core Intel Xeon Silver 4216 at 2.1 GHz with 256 GB RAM.
Rights and permissions
Springer Nature or its licensor (e.g. a society or other partner) holds exclusive rights to this article under a publishing agreement with the author(s) or other rightsholder(s); author self-archiving of the accepted manuscript version of this article is solely governed by the terms of such publishing agreement and applicable law.
About this article
Cite this article
Espadoto, M., Rodrigues, F.C.M., Hirata, N.S.T. et al. Visualizing High-Dimensional Functions with Dense Maps. SN COMPUT. SCI. 4, 230 (2023). https://doi.org/10.1007/s42979-022-01664-2
Received:
Accepted:
Published:
DOI: https://doi.org/10.1007/s42979-022-01664-2