Topological Data Analysis (TDA) provides novel approaches that allow us to analyze the geometrical shapes and topological structures of a dataset. As one important application, TDA can be used for data visualization and dimension reduction. We follow the framework of circular coordinate representation, which allows us to perform dimension reduction and visualization for high-dimensional datasets on a torus using persistent cohomology. In this paper, we propose a method to adapt the circular coordinate framework to take into account the roughness of circular coordinates in change-point and high-dimensional applications. We use a generalized penalty function instead of an $L_{2}$ penalty in the traditional circular coordinate algorithm. We provide simulation experiments and real data analysis to support our claim that circular coordinates with generalized penalty will detect the change in high-dimensional datasets under different sampling schemes while preserving the topological structures.
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This paper makes the first attempt to apply newly developed upwind GFDM for the meshless solution of two-phase porous flow equations. In the presented method, node cloud is used to flexibly discretize the computational domain, instead of complicated mesh generation. Combining with moving least square approximation and local Taylor expansion, spatial derivatives of oil-phase pressure at a node are approximated by generalized difference operators in the local influence domain of the node. By introducing the first-order upwind scheme of phase relative permeability, and combining the discrete boundary conditions, fully-implicit GFDM-based nonlinear discrete equations of the immiscible two-phase porous flow are obtained and solved by the nonlinear solver based on the Newton iteration method with the automatic differentiation, to avoid the additional computational cost and possible computational instability caused by sequentially coupled scheme. Two numerical examples are implemented to test the computational performances of the presented method. Detailed error analysis finds the two sources of the calculation error, roughly studies the convergence order, and points out the significant effect of the symmetry or uniformity of the node allocation in the node influence domain on the accuracy of generalized difference operators, and the radius of the node influence domain should be small to achieve high calculation accuracy, which is a significant difference between the studied parabolic two-phase porous flow problem and the elliptic problems when GFDM is applied. In all, the upwind GFDM with the fully implicit nonlinear solver and related analysis about computational performances given in this work may provide a critical reference for developing a general-purpose meshless numerical simulator for porous flow problems.
We consider the fundamental problem of sampling the optimal transport coupling between given source and target distributions. In certain cases, the optimal transport plan takes the form of a one-to-one mapping from the source support to the target support, but learning or even approximating such a map is computationally challenging for large and high-dimensional datasets due to the high cost of linear programming routines and an intrinsic curse of dimensionality. We study instead the Sinkhorn problem, a regularized form of optimal transport whose solutions are couplings between the source and the target distribution. We introduce a novel framework for learning the Sinkhorn coupling between two distributions in the form of a score-based generative model. Conditioned on source data, our procedure iterates Langevin Dynamics to sample target data according to the regularized optimal coupling. Key to this approach is a neural network parametrization of the Sinkhorn problem, and we prove convergence of gradient descent with respect to network parameters in this formulation. We demonstrate its empirical success on a variety of large scale optimal transport tasks.
We propose a novel approach to disentangle the generative factors of variation underlying a given set of observations. Our method builds upon the idea that the (unknown) low-dimensional manifold underlying the data space can be explicitly modeled as a product of submanifolds. This gives rise to a new definition of disentanglement, and to a novel weakly-supervised algorithm for recovering the unknown explanatory factors behind the data. At training time, our algorithm only requires pairs of non i.i.d. data samples whose elements share at least one, possibly multidimensional, generative factor of variation. We require no knowledge on the nature of these transformations, and do not make any limiting assumption on the properties of each subspace. Our approach is easy to implement, and can be successfully applied to different kinds of data (from images to 3D surfaces) undergoing arbitrary transformations. In addition to standard synthetic benchmarks, we showcase our method in challenging real-world applications, where we compare favorably with the state of the art.
Representation learning on a knowledge graph (KG) is to embed entities and relations of a KG into low-dimensional continuous vector spaces. Early KG embedding methods only pay attention to structured information encoded in triples, which would cause limited performance due to the structure sparseness of KGs. Some recent attempts consider paths information to expand the structure of KGs but lack explainability in the process of obtaining the path representations. In this paper, we propose a novel Rule and Path-based Joint Embedding (RPJE) scheme, which takes full advantage of the explainability and accuracy of logic rules, the generalization of KG embedding as well as the supplementary semantic structure of paths. Specifically, logic rules of different lengths (the number of relations in rule body) in the form of Horn clauses are first mined from the KG and elaborately encoded for representation learning. Then, the rules of length 2 are applied to compose paths accurately while the rules of length 1 are explicitly employed to create semantic associations among relations and constrain relation embeddings. Besides, the confidence level of each rule is also considered in optimization to guarantee the availability of applying the rule to representation learning. Extensive experimental results illustrate that RPJE outperforms other state-of-the-art baselines on KG completion task, which also demonstrate the superiority of utilizing logic rules as well as paths for improving the accuracy and explainability of representation learning.
We introduce PyTorch Geometric, a library for deep learning on irregularly structured input data such as graphs, point clouds and manifolds, built upon PyTorch. In addition to general graph data structures and processing methods, it contains a variety of recently published methods from the domains of relational learning and 3D data processing. PyTorch Geometric achieves high data throughput by leveraging sparse GPU acceleration, by providing dedicated CUDA kernels and by introducing efficient mini-batch handling for input examples of different size. In this work, we present the library in detail and perform a comprehensive comparative study of the implemented methods in homogeneous evaluation scenarios.
Accelerated Randomized Coordinate Descent Algorithms for Stochastic Optimization and Online Learning
We propose accelerated randomized coordinate descent algorithms for stochastic optimization and online learning. Our algorithms have significantly less per-iteration complexity than the known accelerated gradient algorithms. The proposed algorithms for online learning have better regret performance than the known randomized online coordinate descent algorithms. Furthermore, the proposed algorithms for stochastic optimization exhibit as good convergence rates as the best known randomized coordinate descent algorithms. We also show simulation results to demonstrate performance of the proposed algorithms.
In this paper, we propose a nonlinear distance metric learning scheme based on the fusion of component linear metrics. Instead of merging displacements at each data point, our model calculates the velocities induced by the component transformations, via a geodesic interpolation on a Lie transfor- mation group. Such velocities are later summed up to produce a global transformation that is guaranteed to be diffeomorphic. Consequently, pair-wise distances computed this way conform to a smooth and spatially varying metric, which can greatly benefit k-NN classification. Experiments on synthetic and real datasets demonstrate the effectiveness of our model.
Quantum machine learning is expected to be one of the first potential general-purpose applications of near-term quantum devices. A major recent breakthrough in classical machine learning is the notion of generative adversarial training, where the gradients of a discriminator model are used to train a separate generative model. In this work and a companion paper, we extend adversarial training to the quantum domain and show how to construct generative adversarial networks using quantum circuits. Furthermore, we also show how to compute gradients -- a key element in generative adversarial network training -- using another quantum circuit. We give an example of a simple practical circuit ansatz to parametrize quantum machine learning models and perform a simple numerical experiment to demonstrate that quantum generative adversarial networks can be trained successfully.
Image foreground extraction is a classical problem in image processing and vision, with a large range of applications. In this dissertation, we focus on the extraction of text and graphics in mixed-content images, and design novel approaches for various aspects of this problem. We first propose a sparse decomposition framework, which models the background by a subspace containing smooth basis vectors, and foreground as a sparse and connected component. We then formulate an optimization framework to solve this problem, by adding suitable regularizations to the cost function to promote the desired characteristics of each component. We present two techniques to solve the proposed optimization problem, one based on alternating direction method of multipliers (ADMM), and the other one based on robust regression. Promising results are obtained for screen content image segmentation using the proposed algorithm. We then propose a robust subspace learning algorithm for the representation of the background component using training images that could contain both background and foreground components, as well as noise. With the learnt subspace for the background, we can further improve the segmentation results, compared to using a fixed subspace. Lastly, we investigate a different class of signal/image decomposition problem, where only one signal component is active at each signal element. In this case, besides estimating each component, we need to find their supports, which can be specified by a binary mask. We propose a mixed-integer programming problem, that jointly estimates the two components and their supports through an alternating optimization scheme. We show the application of this algorithm on various problems, including image segmentation, video motion segmentation, and also separation of text from textured images.
Dynamic topic models (DTMs) model the evolution of prevalent themes in literature, online media, and other forms of text over time. DTMs assume that word co-occurrence statistics change continuously and therefore impose continuous stochastic process priors on their model parameters. These dynamical priors make inference much harder than in regular topic models, and also limit scalability. In this paper, we present several new results around DTMs. First, we extend the class of tractable priors from Wiener processes to the generic class of Gaussian processes (GPs). This allows us to explore topics that develop smoothly over time, that have a long-term memory or are temporally concentrated (for event detection). Second, we show how to perform scalable approximate inference in these models based on ideas around stochastic variational inference and sparse Gaussian processes. This way we can train a rich family of DTMs to massive data. Our experiments on several large-scale datasets show that our generalized model allows us to find interesting patterns that were not accessible by previous approaches.
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