arXiv subjects

Julien Tierny

Publications and source records attributed to Julien Tierny.

At least 37 records · Page 2Linked to original sources

arXiv2023

Merge Tree Geodesics and Barycenters with Path Mappings

Comparative visualization of scalar fields is often facilitated using similarity measures such as edit distances. In this paper, we describe a novel approach for similarity analysis of scalar fields that combines two recently introduced techniques: Wasserstein geodesics/barycenters as well as path mappings, a branch decomposition-independent edit distance. Effectively, we are able to leverage the reduced susceptibility of path mappings to small perturbations in the data when compared with the original Wasserstein distance. Our approach therefore exhibits superior performance and quality in typical tasks such as ensemble summarization, ensemble clustering, and temporal reduction of time series, while retaining practically feasible runtimes. Beyond studying theoretical properties of our approach and discussing implementation aspects, we describe a number of case studies that provide empirical insights into its utility for comparative visualization, and demonstrate the advantages of our method in both synthetic and real-world scenarios. We supply a C++ implementation that can be used to reproduce our results.

cs.GR↗

arXiv2023

Parallel Computation of Piecewise Linear Morse-Smale Segmentations

This paper presents a well-scaling parallel algorithm for the computation of Morse-Smale (MS) segmentations, including the region separators and region boundaries. The segmentation of the domain into ascending and descending manifolds, solely defined on the vertices, improves the computational time using path compression and fully segments the border region. Region boundaries and region separators are generated using a multi-label marching tetrahedra algorithm. This enables a fast and simple solution to find optimal parameter settings in preliminary exploration steps by generating an MS complex preview. It also poses a rapid option to generate a fast visual representation of the region geometries for immediate utilization. Two experiments demonstrate the performance of our approach with speedups of over an order of magnitude in comparison to two publicly available implementations. The example section shows the similarity to the MS complex, the useability of the approach, and the benefits of this method with respect to the presented datasets. We provide our implementation with the paper.

cs.GR↗

arXiv2023

Topological data analysis of vortices in the magnetically-induced current density in LiH molecule

A novel strategy for extracting axial (AV) and toroidal (TV) vortices in the magnetically-induced current density (MICD) in molecular systems is introduced, and its pilot application to LiH molecule is demonstrated. It exploits differences in the topologies of AV and TV cores and involves two key steps: selecting a scalar function that can describe vortex cores in MICD and its subsequent topological analysis. The scalar function of choice is $Ω^{B_α}$ based on the velocity-gradient $Ω$ method known in research on classical flows. The Topological Data Analysis (TDA) is then used to analyze the $Ω^{B_α}$ scalar field. In particular, TDA robustly assigns distinct topological features of this field to different vortex types in LiH: AV to saddle-maximum separatrices which connect maxima to 2-saddles located on the domain's boundary, TV to a 1-cycle of the super-level sets of the input data. Both are extracted as the most \emph{persistent} features of the topologically-simplified $Ω^{B_α}$ scalar field.

physics.chem-ph↗

arXiv2023

Discrete Morse Sandwich: Fast Computation of Persistence Diagrams for Scalar Data -- An Algorithm and A Benchmark

This paper introduces an efficient algorithm for persistence diagram computation, given an input piecewise linear scalar field $f$ defined on a $d$-dimensional simplicial complex $K$, with $d \leq 3$. Our work revisits the seminal algorithm "PairSimplices" [31], [103] with discrete Morse theory (DMT) [34], [80], which greatly reduces the number of input simplices to consider. Further, we also extend to DMT and accelerate the stratification strategy described in "PairSimplices" for the fast computation of the $0^{th}$ and $(d - 1)^{th}$ diagrams, noted $D_0(f)$ and $D_{d-1}(f)$. Minima-saddle persistence pairs ($D_0(f)$) and saddle-maximum persistence pairs ($D_{d-1}(f)$) are efficiently computed by processing, with a Union-Find, the unstable sets of $1$-saddles and the stable sets of $(d - 1)$-saddles. This fast pre-computation for the dimensions $0$ and $(d - 1)$ enables an aggressive specialization of [4] to the 3D case, which results in a drastic reduction of the number of input simplices for the computation of $D_1(f)$, the intermediate layer of the sandwich. Finally, we document several performance improvements via shared-memory parallelism. We provide an open-source implementation of our algorithm for reproducibility purposes. We also contribute a reproducible benchmark package, which exploits three-dimensional data from a public repository and compares our algorithm to a variety of publicly available implementations. Extensive experiments indicate that our algorithm improves by two orders of magnitude the time performance of the seminal "PairSimplices" algorithm it extends. Moreover, it also improves memory footprint and time performance over a selection of 14 competing approaches, with a substantial gain over the fastest available approaches, while producing a strictly identical output.

cs.LG↗

arXiv2022

Principal Geodesic Analysis of Merge Trees (and Persistence Diagrams)

This paper presents a computational framework for the Principal Geodesic Analysis of merge trees (MT-PGA), a novel adaptation of the celebrated Principal Component Analysis (PCA) framework [87] to the Wasserstein metric space of merge trees [92]. We formulate MT-PGA computation as a constrained optimization problem, aiming at adjusting a basis of orthogonal geodesic axes, while minimizing a fitting energy. We introduce an efficient, iterative algorithm which exploits shared-memory parallelism, as well as an analytic expression of the fitting energy gradient, to ensure fast iterations. Our approach also trivially extends to extremum persistence diagrams. Extensive experiments on public ensembles demonstrate the efficiency of our approach - with MT-PGA computations in the orders of minutes for the largest examples. We show the utility of our contributions by extending to merge trees two typical PCA applications. First, we apply MT-PGA to data reduction and reliably compress merge trees by concisely representing them by their first coordinates in the MT-PGA basis. Second, we present a dimensionality reduction framework exploiting the first two directions of the MT-PGA basis to generate two-dimensional layouts of the ensemble. We augment these layouts with persistence correlation views, enabling global and local visual inspections of the feature variability in the ensemble. In both applications, quantitative experiments assess the relevance of our framework. Finally, we provide a C++ implementation that can be used to reproduce our results.

cs.GR↗

arXiv2022

Topological Analysis of Ensembles of Hydrodynamic Turbulent Flows -- An Experimental Study

This application paper presents a comprehensive experimental evaluation of the suitability of Topological Data Analysis (TDA) for the quantitative comparison of turbulent flows. Specifically, our study documents the usage of the persistence diagram of the maxima of flow enstrophy (an established vorticity indicator), for the topological representation of 180 ensemble members, generated by a coarse sampling of the parameter space of five numerical solvers. We document five main hypotheses reported by domain experts, describing their expectations regarding the variability of the flows generated by the distinct solver configurations. We contribute three evaluation protocols to assess the validation of the above hypotheses by two comparison measures: (i) a standard distance used in scientific imaging (the L2 norm) and (ii) an established topological distance between persistence diagrams (the L2-Wasserstein metric). Extensive experiments on the input ensemble demonstrate the superiority of the topological distance (ii) to report as close to each other flows which are expected to be similar by domain experts, due to the configuration of their vortices. Overall, the insights reported by our study bring an experimental evidence of the suitability of TDA for representing and comparing turbulent flows, thereby providing to the fluid dynamics community confidence for its usage in future work. Also, our flow data and evaluation protocols provide to the TDA community an application-approved benchmark for the evaluation and design of further topological distances.

physics.flu-dyn↗

arXiv2021

Utilising urgent computing to tackle the spread of mosquito-borne diseases

It is estimated that around 80\% of the world's population live in areas susceptible to at-least one major vector borne disease, and approximately 20% of global communicable diseases are spread by mosquitoes. Furthermore, the outbreaks of such diseases are becoming more common and widespread, with much of this driven in recent years by socio-demographic and climatic factors. These trends are causing significant worry to global health organisations, including the CDC and WHO, and-so an important question is the role that technology can play in addressing them. In this work we describe the integration of an epidemiology model, which simulates the spread of mosquito-borne diseases, with the VESTEC urgent computing ecosystem. The intention of this work is to empower human health professionals to exploit this model and more easily explore the progression of mosquito-borne diseases. Traditionally in the domain of the few research scientists, by leveraging state of the art visualisation and analytics techniques, all supported by running the computational workloads on HPC machines in a seamless fashion, we demonstrate the significant advantages that such an integration can provide. Furthermore we demonstrate the benefits of using an ecosystem such as VESTEC, which provides a framework for urgent computing, in supporting the easy adoption of these technologies by the epidemiologists and disaster response professionals more widely.

cs.DC↗

arXiv2021

Wasserstein Distances, Geodesics and Barycenters of Merge Trees

This paper presents a unified computational framework for the estimation of distances, geodesics and barycenters of merge trees. We extend recent work on the edit distance [106] and introduce a new metric, called the Wasserstein distance between merge trees, which is purposely designed to enable efficient computations of geodesics and barycenters. Specifically, our new distance is strictly equivalent to the L2-Wasserstein distance between extremum persistence diagrams, but it is restricted to a smaller solution space, namely, the space of rooted partial isomorphisms between branch decomposition trees. This enables a simple extension of existing optimization frameworks [112] for geodesics and barycenters from persistence diagrams to merge trees. We introduce a task-based algorithm which can be generically applied to distance, geodesic, barycenter or cluster computation. The task-based nature of our approach enables further accelerations with shared-memory parallelism. Extensive experiments on public ensembles and SciVis contest benchmarks demonstrate the efficiency of our approach -- with barycenter computations in the orders of minutes for the largest examples -- as well as its qualitative ability to generate representative barycenter merge trees, visually summarizing the features of interest found in the ensemble. We show the utility of our contributions with dedicated visualization applications: feature tracking, temporal reduction and ensemble clustering. We provide a lightweight C++ implementation that can be used to reproduce our results.

cs.GR↗

arXiv2021

Fast Approximation of Persistence Diagrams with Guarantees

This paper presents an algorithm for the efficient approximation of the saddle-extremum persistence diagram of a scalar field. Vidal et al. introduced recently a fast algorithm for such an approximation (by interrupting a progressive computation framework). However, no theoretical guarantee was provided regarding its approximation quality. In this work, we revisit the progressive framework of Vidal et al. and we introduce in contrast a novel approximation algorithm, with a user controlled approximation error, specifically, on the Bottleneck distance to the exact solution. Our approach is based on a hierarchical representation of the input data, and relies on local simplifications of the scalar field to accelerate the computation, while maintaining a controlled bound on the output error. The locality of our approach enables further speedups thanks to shared memory parallelism. Experiments conducted on real life datasets show that for a mild error tolerance (5% relative Bottleneck distance), our approach improves runtime performance by 18% on average (and up to 48% on large, noisy datasets) in comparison to standard, exact, publicly available implementations. In addition to the strong guarantees on its approximation error, we show that our algorithm also provides in practice outputs which are on average 5 times more accurate (in terms of the L2-Wasserstein distance) than a naive approximation baseline. We illustrate the utility of our approach for interactive data exploration and we document visualization strategies for conveying the uncertainty related to our approximations.

cs.GR↗

arXiv2021

A Progressive Approach to Scalar Field Topology

This paper introduces progressive algorithms for the topological analysis of scalar data. Our approach is based on a hierarchical representation of the input data and the fast identification of topologically invariant vertices, which are vertices that have no impact on the topological description of the data and for which we show that no computation is required as they are introduced in the hierarchy. This enables the definition of efficient coarse-to-fine topological algorithms, which leverage fast update mechanisms for ordinary vertices and avoid computation for the topologically invariant ones. We demonstrate our approach with two examples of topological algorithms (critical point extraction and persistence diagram computation), which generate interpretable outputs upon interruption requests and which progressively refine them otherwise. Experiments on real-life datasets illustrate that our progressive strategy, in addition to the continuous visual feedback it provides, even improves run time performance with regard to non-progressive algorithms and we describe further accelerations with shared-memory parallelism. We illustrate the utility of our approach in batch-mode and interactive setups, where it respectively enables the control of the execution time of complete topological pipelines as well as previews of the topological features found in a dataset, with progressive updates delivered within interactive times.

cs.GR↗

arXiv2020

TopoMap: A 0-dimensional Homology Preserving Projection of High-Dimensional Data

Multidimensional Projection is a fundamental tool for high-dimensional data analytics and visualization. With very few exceptions, projection techniques are designed to map data from a high-dimensional space to a visual space so as to preserve some dissimilarity (similarity) measure, such as the Euclidean distance for example. In fact, although adopting distinct mathematical formulations designed to favor different aspects of the data, most multidimensional projection methods strive to preserve dissimilarity measures that encapsulate geometric properties such as distances or the proximity relation between data objects. However, geometric relations are not the only interesting property to be preserved in a projection. For instance, the analysis of particular structures such as clusters and outliers could be more reliably performed if the mapping process gives some guarantee as to topological invariants such as connected components and loops. This paper introduces TopoMap, a novel projection technique which provides topological guarantees during the mapping process. In particular, the proposed method performs the mapping from a high-dimensional space to a visual space, while preserving the 0-dimensional persistence diagram of the Rips filtration of the high-dimensional data, ensuring that the filtrations generate the same connected components when applied to the original as well as projected data. The presented case studies show that the topological guarantee provided by TopoMap not only brings confidence to the visual analytic process but also can be used to assist in the assessment of other projection methods.

cs.GR↗

arXiv2020

Localized Topological Simplification of Scalar Data

This paper describes a localized algorithm for the topological simplification of scalar data, an essential pre-processing step of topological data analysis (TDA). Given a scalar field f and a selection of extrema to preserve, the proposed localized topological simplification (LTS) derives a function g that is close to f and only exhibits the selected set of extrema. Specifically, sub- and superlevel set components associated with undesired extrema are first locally flattened and then correctly embedded into the global scalar field, such that these regions are guaranteed -- from a combinatorial perspective -- to no longer contain any undesired extrema. In contrast to previous global approaches, LTS only and independently processes regions of the domain that actually need to be simplified, which already results in a noticeable speedup. Moreover, due to the localized nature of the algorithm, LTS can utilize shared-memory parallelism to simplify regions simultaneously with a high parallel efficiency (70%). Hence, LTS significantly improves interactivity for the exploration of simplification parameters and their effect on subsequent topological analysis. For such exploration tasks, LTS brings the overall execution time of a plethora of TDA pipelines from minutes down to seconds, with an average observed speedup over state-of-the-art techniques of up to x36. Furthermore, in the special case where preserved extrema are selected based on topological persistence, an adapted version of LTS partially computes the persistence diagram and simultaneously simplifies features below a predefined persistence threshold. The effectiveness of LTS, its parallel efficiency, and its resulting benefits for TDA are demonstrated on several simulated and acquired datasets from different application domains, including physics, chemistry, and biomedical imaging.

cs.DS↗

arXiv2019

A Topological Data Analysis Perspective on Non-Covalent Interactions in Relativistic Calculations

Topological Data Analysis (TDA) is a powerful mathematical theory, largely unexplored in theoretical chemistry. In this work we demonstrate how TDA provides new insights into topological features of electron densities and reduced density gradients, by investigating the effects of relativity on the bonding of the Au4-S-C6H4-S'-Au'4 molecule. Whereas recent analyses of this species carried out with the Quantum Theory of Atoms-In-Molecules [Anderson et al., Chem. Eur. J. 25, 2538, 2019] concluded, from the emergence of new topological features in the electron density, that relativistic effects yielded non-covalent interactions between gold and hydrogen atoms, we show from their low persistence values (which decrease with increased basis set size) these features are not significant. Further analysis of the reduced density gradient confirms no relativity-induced non-covalent interactions in Au4-S-C6H4-S'-Au'4. We argue TDA should be integrated into electronic structure analysis methods, and be considered as a basis for the development of new topology-based approaches.

physics.chem-ph↗

arXiv2019

Statistical Parameter Selection for Clustering Persistence Diagrams

In urgent decision making applications, ensemble simulations are an important way to determine different outcome scenarios based on currently available data. In this paper, we will analyze the output of ensemble simulations by considering so-called persistence diagrams, which are reduced representations of the original data, motivated by the extraction of topological features. Based on a recently published progressive algorithm for the clustering of persistence diagrams, we determine the optimal number of clusters, and therefore the number of significantly different outcome scenarios, by the minimization of established statistical score functions. Furthermore, we present a proof-of-concept prototype implementation of the statistical selection of the number of clusters and provide the results of an experimental study, where this implementation has been applied to real-world ensemble data sets.

cs.GR↗

arXiv2019

Progressive Wasserstein Barycenters of Persistence Diagrams

This paper presents an efficient algorithm for the progressive approximation of Wasserstein barycenters of persistence diagrams, with applications to the visual analysis of ensemble data. Given a set of scalar fields, our approach enables the computation of a persistence diagram which is representative of the set, and which visually conveys the number, data ranges and saliences of the main features of interest found in the set. Such representative diagrams are obtained by computing explicitly the discrete Wasserstein barycenter of the set of persistence diagrams, a notoriously computationally intensive task. In particular, we revisit efficient algorithms for Wasserstein distance approximation [12,51] to extend previous work on barycenter estimation [94]. We present a new fast algorithm, which progressively approximates the barycenter by iteratively increasing the computation accuracy as well as the number of persistent features in the output diagram. Such a progressivity drastically improves convergence in practice and allows to design an interruptible algorithm, capable of respecting computation time constraints. This enables the approximation of Wasserstein barycenters within interactive times. We present an application to ensemble clustering where we revisit the k-means algorithm to exploit our barycenters and compute, within execution time constraints, meaningful clusters of ensemble data along with their barycenter diagram. Extensive experiments on synthetic and real-life data sets report that our algorithm converges to barycenters that are qualitatively meaningful with regard to the applications, and quantitatively comparable to previous techniques, while offering an order of magnitude speedup when run until convergence (without time constraint). Our algorithm can be trivially parallelized to provide additional speedups in practice on standard workstations. [...]

cs.GR↗

arXiv2019

Ranking Viscous Finger Simulations to an Acquired Ground Truth with Topology-aware Matchings

This application paper presents a novel framework based on topological data analysis for the automatic evaluation and ranking of viscous finger simulation runs in an ensemble with respect to a reference acquisition. Individual fingers in a given time-step are associated with critical point pairs in the distance field to the injection point, forming persistence diagrams. Different metrics, based on optimal transport, for comparing time-varying persistence diagrams in this specific applicative case are introduced. We evaluate the relevance of the rankings obtained with these metrics, both qualitatively thanks to a lightweight web visual interface, and quantitatively by studying the deviation from a reference ranking suggested by experts. Extensive experiments show the quantitative superiority of our approach compared to traditional alternatives. Our web interface allows experts to conveniently explore the produced rankings. We show a complete viscous fingering case study demonstrating the utility of our approach in the context of porous media fluid flow, where our framework can be used to automatically discard physically-irrelevant simulation runs from the ensemble and rank the most plausible ones. We document an in-situ implementation to lighten I/O and performance constraints arising in the context of parametric studies.

physics.geo-ph↗

arXiv2019

The Topology ToolKit

This system paper presents the Topology ToolKit (TTK), a software platform designed for topological data analysis in scientific visualization. TTK provides a unified, generic, efficient, and robust implementation of key algorithms for the topological analysis of scalar data, including: critical points, integral lines, persistence diagrams, persistence curves, merge trees, contour trees, Morse-Smale complexes, fiber surfaces, continuous scatterplots, Jacobi sets, Reeb spaces, and more. TTK is easily accessible to end users due to a tight integration with ParaView. It is also easily accessible to developers through a variety of bindings (Python, VTK/C++) for fast prototyping or through direct, dependence-free, C++, to ease integration into pre-existing complex systems. While developing TTK, we faced several algorithmic and software engineering challenges, which we document in this paper. In particular, we present an algorithm for the construction of a discrete gradient that complies to the critical points extracted in the piecewise-linear setting. This algorithm guarantees a combinatorial consistency across the topological abstractions supported by TTK, and importantly, a unified implementation of topological data simplification for multi-scale exploration and analysis. We also present a cached triangulation data structure, that supports time efficient and generic traversals, which self-adjusts its memory usage on demand for input simplicial meshes and which implicitly emulates a triangulation for regular grids with no memory overhead. Finally, we describe an original software architecture, which guarantees memory efficient and direct accesses to TTK features, while still allowing for researchers powerful and easy bindings and extensions. TTK is open source (BSD license) and its code, online documentation and video tutorials are available on TTK's website.

cs.GR↗

arXiv2019

Lifted Wasserstein Matcher for Fast and Robust Topology Tracking

This paper presents a robust and efficient method for tracking topological features in time-varying scalar data. Structures are tracked based on the optimal matching between persistence diagrams with respect to the Wasserstein metric. This fundamentally relies on solving the assignment problem, a special case of optimal transport, for all consecutive timesteps. Our approach relies on two main contributions. First, we revisit the seminal assignment algorithm by Kuhn and Munkres which we specifically adapt to the problem of matching persistence diagrams in an efficient way. Second, we propose an extension of the Wasserstein metric that significantly improves the geometrical stability of the matching of domain-embedded persistence pairs. We show that this geometrical lifting has the additional positive side-effect of improving the assignment matrix sparsity and therefore computing time. The global framework implements a coarse-grained parallelism by computing persistence diagrams and finding optimal matchings in parallel for every couple of consecutive timesteps. Critical trajectories are constructed by associating successively matched persistence pairs over time. Merging and splitting events are detected with a geometrical threshold in a post-processing stage. Extensive experiments on real-life datasets show that our matching approach is an order of magnitude faster than the seminal Munkres algorithm. Moreover, compared to a modern approximation method, our method provides competitive runtimes while yielding exact results. We demonstrate the utility of our global framework by extracting critical point trajectories from various simulated time-varying datasets and compare it to the existing methods based on associated overlaps of volumes. Robustness to noise and temporal resolution downsampling is empirically demonstrated.

eess.IV↗