This paper presents a computational framework for the concise encoding of an ensemble of persistence diagrams, in the form of weighted Wasserstein barycenters [99], [101] of a dictionary of atom diagrams. We introduce a multi-scale gradient descent approach for the efficient resolution of the corresponding minimization problem, which interleaves the optimization of the barycenter weights with the optimization of the atom diagrams. Our approach leverages the analytic expressions for the gradient of both sub-problems to ensure fast iterations and it additionally exploits shared-memory parallelism. Extensive experiments on public ensembles demonstrate the efficiency of our approach, with Wasserstein dictionary computations in the orders of minutes for the largest examples. We show the utility of our contributions in two applications. First, we apply Wassserstein dictionaries to data reduction and reliably compress persistence diagrams by concisely representing them with their weights in the dictionary. Second, we present a dimensionality reduction framework based on a Wasserstein dictionary defined with a small number of atoms (typically three) and encode the dictionary as a low dimensional simplex embedded in a visual space (typically in 2D). 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.
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Recently, hybrid metaheuristics have become a trend in operations research. A successful example combines the Greedy Randomized Adaptive Search Procedures (GRASP) and data mining techniques, where frequent patterns found in high-quality solutions can lead to an efficient exploration of the search space, along with a significant reduction of computational time. In this work, a GRASP-based state-of-the-art heuristic for the Minimum Latency Problem (MLP) is improved by means of data mining techniques for two MLP variants. Computational experiments showed that the approaches with data mining were able to match or improve the solution quality for a large number of instances, together with a substantial reduction of running time. In addition, 88 new cost values of solutions are introduced into the literature. To support our results, tests of statistical significance, impact of using mined patterns, equal time comparisons and time-to-target plots are provided.
We consider sketching algorithms which first compress data by multiplication with a random sketch matrix, and then apply the sketch to quickly solve an optimization problem, e.g., low-rank approximation and regression. In the learning-based sketching paradigm proposed by~\cite{indyk2019learning}, the sketch matrix is found by choosing a random sparse matrix, e.g., CountSketch, and then the values of its non-zero entries are updated by running gradient descent on a training data set. Despite the growing body of work on this paradigm, a noticeable omission is that the locations of the non-zero entries of previous algorithms were fixed, and only their values were learned. In this work, we propose the first learning-based algorithms that also optimize the locations of the non-zero entries. Our first proposed algorithm is based on a greedy algorithm. However, one drawback of the greedy algorithm is its slower training time. We fix this issue and propose approaches for learning a sketching matrix for both low-rank approximation and Hessian approximation for second order optimization. The latter is helpful for a range of constrained optimization problems, such as LASSO and matrix estimation with a nuclear norm constraint. Both approaches achieve good accuracy with a fast running time. Moreover, our experiments suggest that our algorithm can still reduce the error significantly even if we only have a very limited number of training matrices.
This paper studies distribution-free inference in settings where the data set has a hierarchical structure -- for example, groups of observations, or repeated measurements. In such settings, standard notions of exchangeability may not hold. To address this challenge, a hierarchical form of exchangeability is derived, facilitating extensions of distribution-free methods, including conformal prediction and jackknife+. While the standard theoretical guarantee obtained by the conformal prediction framework is a marginal predictive coverage guarantee, in the special case of independent repeated measurements, it is possible to achieve a stronger form of coverage -- the "second-moment coverage" property -- to provide better control of conditional miscoverage rates, and distribution-free prediction sets that achieve this property are constructed. Simulations illustrate that this guarantee indeed leads to uniformly small conditional miscoverage rates. Empirically, this stronger guarantee comes at the cost of a larger width of the prediction set in scenarios where the fitted model is poorly calibrated, but this cost is very mild in cases where the fitted model is accurate.
Over the past decade, the techniques of topological data analysis (TDA) have grown into prominence to describe the shape of data. In recent years, there has been increasing interest in developing statistical methods and in particular hypothesis testing procedures for TDA. Under the statistical perspective, persistence diagrams -- the central multi-scale topological descriptors of data provided by TDA -- are viewed as random observations sampled from some population or process. In this context, one of the earliest works on hypothesis testing focuses on the two-group permutation-based approach where the associated loss function is defined in terms of within-group pairwise bottleneck or Wasserstein distances between persistence diagrams (Robinson and Turner, 2017). However, in situations where persistence diagrams are large in size and number, the permutation test in question gets computationally more costly to apply. To address this limitation, we instead consider pairwise distances between vectorized functional summaries of persistence diagrams for the loss function. In the present work, we explore the utility of the Betti function in this regard, which is one of the simplest function summaries of persistence diagrams. We introduce an alternative vectorization method for the Betti function based on integration and prove stability results with respect to the Wasserstein distance. Moreover, we propose a new shuffling technique of group labels to increase the power of the test. Through several experimental studies, on both synthetic and real data, we show that the vectorized Betti function leads to competitive results compared to the baseline method involving the Wasserstein distances for the permutation test.
The Tucker tensor decomposition is a natural extension of the singular value decomposition (SVD) to multiway data. We propose to accelerate Tucker tensor decomposition algorithms by using randomization and parallelization. We present two algorithms that scale to large data and many processors, significantly reduce both computation and communication cost compared to previous deterministic and randomized approaches, and obtain nearly the same approximation errors. The key idea in our algorithms is to perform randomized sketches with Kronecker-structured random matrices, which reduces computation compared to unstructured matrices and can be implemented using a fundamental tensor computational kernel. We provide probabilistic error analysis of our algorithms and implement a new parallel algorithm for the structured randomized sketch. Our experimental results demonstrate that our combination of randomization and parallelization achieves accurate Tucker decompositions much faster than alternative approaches. We observe up to a 16X speedup over the fastest deterministic parallel implementation on 3D simulation data.
The conventional understanding of adversarial training in generative adversarial networks (GANs) is that the discriminator is trained to estimate a divergence, and the generator learns to minimize this divergence. We argue that despite the fact that many variants of GANs were developed following this paradigm, the current theoretical understanding of GANs and their practical algorithms are inconsistent. In this paper, we leverage Wasserstein gradient flows which characterize the evolution of particles in the sample space, to gain theoretical insights and algorithmic inspiration of GANs. We introduce a unified generative modeling framework - MonoFlow: the particle evolution is rescaled via a monotonically increasing mapping of the log density ratio. Under our framework, adversarial training can be viewed as a procedure first obtaining MonoFlow's vector field via training the discriminator and the generator learns to draw the particle flow defined by the corresponding vector field. We also reveal the fundamental difference between variational divergence minimization and adversarial training. This analysis helps us to identify what types of generator loss functions can lead to the successful training of GANs and suggest that GANs may have more loss designs beyond the literature (e.g., non-saturated loss), as long as they realize MonoFlow. Consistent empirical studies are included to validate the effectiveness of our framework.
Personalized recommender systems fulfill the daily demands of customers and boost online businesses. The goal is to learn a policy that can generate a list of items that matches the user's demand or interest. While most existing methods learn a pointwise scoring model that predicts the ranking score of each individual item, recent research shows that the listwise approach can further improve the recommendation quality by modeling the intra-list correlations of items that are exposed together. This has motivated the recent list reranking and generative recommendation approaches that optimize the overall utility of the entire list. However, it is challenging to explore the combinatorial space of list actions and existing methods that use cross-entropy loss may suffer from low diversity issues. In this work, we aim to learn a policy that can generate sufficiently diverse item lists for users while maintaining high recommendation quality. The proposed solution, GFN4Rec, is a generative method that takes the insight of the flow network to ensure the alignment between list generation probability and its reward. The key advantages of our solution are the log scale reward matching loss that intrinsically improves the generation diversity and the autoregressive item selection model that captures the item mutual influences while capturing future reward of the list. As validation of our method's effectiveness and its superior diversity during active exploration, we conduct experiments on simulated online environments as well as an offline evaluation framework for two real-world datasets.
Accurate trajectory prediction of nearby vehicles is crucial for the safe motion planning of automated vehicles in dynamic driving scenarios such as highway merging. Existing methods cannot initiate prediction for a vehicle unless observed for a fixed duration of two or more seconds. This prevents a fast reaction by the ego vehicle to vehicles that enter its perception range, thus creating safety concerns. Therefore, this paper proposes a novel transformer-based trajectory prediction approach, specifically trained to handle any observation length larger than one frame. We perform a comprehensive evaluation of the proposed method using two large-scale highway trajectory datasets, namely the highD and exiD. In addition, we study the impact of the proposed prediction approach on motion planning and control tasks using extensive merging scenarios from the exiD dataset. To the best of our knowledge, this marks the first instance where such a large-scale highway merging dataset has been employed for this purpose. The results demonstrate that the prediction model achieves state-of-the-art performance on highD dataset and maintains lower prediction error w.r.t. the constant velocity across all observation lengths in exiD. Moreover, it significantly enhances safety, comfort, and efficiency in dense traffic scenarios, as compared to the constant velocity model.
Sequential recommendation as an emerging topic has attracted increasing attention due to its important practical significance. Models based on deep learning and attention mechanism have achieved good performance in sequential recommendation. Recently, the generative models based on Variational Autoencoder (VAE) have shown the unique advantage in collaborative filtering. In particular, the sequential VAE model as a recurrent version of VAE can effectively capture temporal dependencies among items in user sequence and perform sequential recommendation. However, VAE-based models suffer from a common limitation that the representational ability of the obtained approximate posterior distribution is limited, resulting in lower quality of generated samples. This is especially true for generating sequences. To solve the above problem, in this work, we propose a novel method called Adversarial and Contrastive Variational Autoencoder (ACVAE) for sequential recommendation. Specifically, we first introduce the adversarial training for sequence generation under the Adversarial Variational Bayes (AVB) framework, which enables our model to generate high-quality latent variables. Then, we employ the contrastive loss. The latent variables will be able to learn more personalized and salient characteristics by minimizing the contrastive loss. Besides, when encoding the sequence, we apply a recurrent and convolutional structure to capture global and local relationships in the sequence. Finally, we conduct extensive experiments on four real-world datasets. The experimental results show that our proposed ACVAE model outperforms other state-of-the-art methods.
To address the sparsity and cold start problem of collaborative filtering, researchers usually make use of side information, such as social networks or item attributes, to improve recommendation performance. This paper considers the knowledge graph as the source of side information. To address the limitations of existing embedding-based and path-based methods for knowledge-graph-aware recommendation, we propose Ripple Network, an end-to-end framework that naturally incorporates the knowledge graph into recommender systems. Similar to actual ripples propagating on the surface of water, Ripple Network stimulates the propagation of user preferences over the set of knowledge entities by automatically and iteratively extending a user's potential interests along links in the knowledge graph. The multiple "ripples" activated by a user's historically clicked items are thus superposed to form the preference distribution of the user with respect to a candidate item, which could be used for predicting the final clicking probability. Through extensive experiments on real-world datasets, we demonstrate that Ripple Network achieves substantial gains in a variety of scenarios, including movie, book and news recommendation, over several state-of-the-art baselines.
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