NetLSD: Hearing the Shape of a Graph

Comparison among graphs is ubiquitous in graph analytics. However, it is a hard task in terms of the expressiveness of the employed similarity measure and the efficiency of its computation. Ideally, graph comparison should be invariant to the order of nodes and the sizes of compared graphs, adaptive to the scale of graph patterns, and scalable. Unfortunately, these properties have not been addressed together. Graph comparisons still rely on direct approaches, graph kernels, or representation-based methods, which are all inefficient and impractical for large graph collections. In this paper, we propose the Network Laplacian Spectral Descriptor (NetLSD): the first, to our knowledge, permutation- and size-invariant, scale-adaptive, and efficiently computable graph representation method that allows for straightforward comparisons of large graphs. NetLSD extracts a compact signature that inherits the formal properties of the Laplacian spectrum, specifically its heat or wave kernel; thus, it hears the shape of a graph. Our evaluation on a variety of real-world graphs demonstrates that it outperforms previous works in both expressiveness and efficiency.Comment: KDD '18: The 24th ACM SIGKDD International Conference on Knowledge Discovery & Data Mining, August 19--23, 2018, London, United Kingdo

Unsupervised Structural Embedding Methods for Efficient Collective Network Mining

How can we align accounts of the same user across social networks? Can we identify the professional role of an email user from their patterns of communication? Can we predict the medical effects of chemical compounds from their atomic network structure? Many problems in graph data mining, including all of the above, are defined on multiple networks. The central element to all of these problems is cross-network comparison, whether at the level of individual nodes or entities in the network or at the level of entire networks themselves. To perform this comparison meaningfully, we must describe the entities in each network expressively in terms of patterns that generalize across the networks. Moreover, because the networks in question are often very large, our techniques must be computationally efficient. In this thesis, we propose scalable unsupervised methods that embed nodes in vector space by mapping nodes with similar structural roles in their respective networks, even if they come from different networks, to similar parts of the embedding space. We perform network alignment by matching nodes across two or more networks based on the similarity of their embeddings, and refine this process by reinforcing the consistency of each node’s alignment with those of its neighbors. By characterizing the distribution of node embeddings in a graph, we develop graph-level feature vectors that are highly effective for graph classification. With principled sparsification and randomized approximation techniques, we make all our methods computationally efficient and able to scale to graphs with millions of nodes or edges. We demonstrate the effectiveness of structural node embeddings on industry-scale applications, and propose an extensive set of embedding evaluation techniques that lay the groundwork for further methodological development and application.PHDComputer Science & EngineeringUniversity of Michigan, Horace H. Rackham School of Graduate Studieshttp://deepblue.lib.umich.edu/bitstream/2027.42/162895/1/mheimann_1.pd

Generative Models for Preprocessing of Hospital Brain Scans

I will in this thesis present novel computational methods for processing routine clinical brain scans. Such scans were originally acquired for qualitative assessment by trained radiologists, and present a number of difficulties for computational models, such as those within common neuroimaging analysis software. The overarching objective of this work is to enable efficient and fully automated analysis of large neuroimaging datasets, of the type currently present in many hospitals worldwide. The methods presented are based on probabilistic, generative models of the observed imaging data, and therefore rely on informative priors and realistic forward models. The first part of the thesis will present a model for image quality improvement, whose key component is a novel prior for multimodal datasets. I will demonstrate its effectiveness for super-resolving thick-sliced clinical MR scans and for denoising CT images and MR-based, multi-parametric mapping acquisitions. I will then show how the same prior can be used for within-subject, intermodal image registration, for more robustly registering large numbers of clinical scans. The second part of the thesis focusses on improved, automatic segmentation and spatial normalisation of routine clinical brain scans. I propose two extensions to a widely used segmentation technique. First, a method for this model to handle missing data, which allows me to predict entirely missing modalities from one, or a few, MR contrasts. Second, a principled way of combining the strengths of probabilistic, generative models with the unprecedented discriminative capability of deep learning. By introducing a convolutional neural network as a Markov random field prior, I can model nonlinear class interactions and learn these using backpropagation. I show that this model is robust to sequence and scanner variability. Finally, I show examples of fitting a population-level, generative model to various neuroimaging data, which can model, e.g., CT scans with haemorrhagic lesions

Photoelastic study of dense granular free-surface flow rheology and size segregation

One of the biggest challenges facing experimental studies of granular rheology is the opacity of the constitutive particles, which prevents direct observations of their behaviour and interactions. This thesis describes a series of original experiments where instantaneous forces between individual particles within the bulk of 2D flows are quantified. The specific type of granular flow we study is gravity-driven, dry, and in the slow to intermediate regime. Here we describe a novel adaptation of the photoelastic technique and explain how we applied it in an original setup to offer unprecedented insight into the force distribution within granular flows, as this has never been achieved experimentally in dynamic systems before. Firstly, using particle tracking and photoelastic force measurements we report coarse-grained profiles for packing fraction, velocity, shear rate, inertial number, and stress tensor components, as well as statistical observations drawn from the measurable forces. Despite the highly fluctuating and seemingly random nature of the force network, we draw analogies between discrete and continuous flow models and characterise force chain preferential orientations. Secondly, we interpret current rheological models in the context of our experimental system, and hence propose that non-local effects may in fact be dependent on the local force network fluctuation rate. The results of this work further the community’s understanding of granular force networks and complement the physical concepts applied in current non-local rheological models. Finally, we model how differences in the force network between mono- and bi-disperse avalanching granular media lead to the mechanisms that drive granular size segregation. This work then also provides quantitative, tangible support to granular segregation models based on the physical mechanisms that drive it. As the first experimental observations of their kind, our experiments can be used to validate existing and even future theoretical and numerical research. Furthermore, the physical mechanisms proposed in this work can be used to construct future models of granular behaviour that lie beyond the scope of this particular thesis.The Cambridge Trus

Bifurcation analysis of the Topp model

In this paper, we study the 3-dimensional Topp model for the dynamicsof diabetes. We show that for suitable parameter values an equilibrium of this modelbifurcates through a Hopf-saddle-node bifurcation. Numerical analysis suggests thatnear this point Shilnikov homoclinic orbits exist. In addition, chaotic attractors arisethrough period doubling cascades of limit cycles.Keywords Dynamics of diabetes · Topp model · Reduced planar quartic Toppsystem · Singular point · Limit cycle · Hopf-saddle-node bifurcation · Perioddoubling bifurcation · Shilnikov homoclinic orbit · Chao

Handbook of Mathematical Geosciences

This Open Access handbook published at the IAMG's 50th anniversary, presents a compilation of invited path-breaking research contributions by award-winning geoscientists who have been instrumental in shaping the IAMG. It contains 45 chapters that are categorized broadly into five parts (i) theory, (ii) general applications, (iii) exploration and resource estimation, (iv) reviews, and (v) reminiscences covering related topics like mathematical geosciences, mathematical morphology, geostatistics, fractals and multifractals, spatial statistics, multipoint geostatistics, compositional data analysis, informatics, geocomputation, numerical methods, and chaos theory in the geosciences

MS FT-2-2 7 Orthogonal polynomials and quadrature: Theory, computation, and applications

Quadrature rules find many applications in science and engineering. Their analysis is a classical area of applied mathematics and continues to attract considerable attention. This seminar brings together speakers with expertise in a large variety of quadrature rules. It is the aim of the seminar to provide an overview of recent developments in the analysis of quadrature rules. The computation of error estimates and novel applications also are described

Generalized averaged Gaussian quadrature and applications

A simple numerical method for constructing the optimal generalized averaged Gaussian quadrature formulas will be presented. These formulas exist in many cases in which real positive GaussKronrod formulas do not exist, and can be used as an adequate alternative in order to estimate the error of a Gaussian rule. We also investigate the conditions under which the optimal averaged Gaussian quadrature formulas and their truncated variants are internal

New Foundation in the Sciences: Physics without sweeping infinities under the rug

It is widely known among the Frontiers of physics, that “sweeping under the rug” practice has been quite the norm rather than exception. In other words, the leading paradigms have strong tendency to be hailed as the only game in town. For example, renormalization group theory was hailed as cure in order to solve infinity problem in QED theory. For instance, a quote from Richard Feynman goes as follows: “What the three Nobel Prize winners did, in the words of Feynman, was to get rid of the infinities in the calculations. The infinities are still there, but now they can be skirted around . . . We have designed a method for sweeping them under the rug. [1] And Paul Dirac himself also wrote with similar tune: “Hence most physicists are very satisfied with the situation. They say: Quantum electrodynamics is a good theory, and we do not have to worry about it any more. I must say that I am very dissatisfied with the situation, because this so-called good theory does involve neglecting infinities which appear in its equations, neglecting them in an arbitrary way. This is just not sensible mathematics. Sensible mathematics involves neglecting a quantity when it turns out to be small—not neglecting it just because it is infinitely great and you do not want it!”[2] Similarly, dark matter and dark energy were elevated as plausible way to solve the crisis in prevalent Big Bang cosmology. That is why we choose a theme here: New Foundations in the Sciences, in order to emphasize the necessity to introduce a new set of approaches in the Sciences, be it Physics, Cosmology, Consciousness etc