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Topological data analysis (TDA) studies the shape patterns of data. Persistent homology is a widely used method in TDA that summarizes homological features of data at multiple scales and stores them in persistence diagrams (PDs). In this paper, we propose a random persistence diagram generator (RPDG) method that generates a sequence of random PDs from the ones produced by the data. RPDG is underpinned by a model based on pairwise interacting point processes, and a reversible jump Markov chain Monte Carlo (RJ-MCMC) algorithm. A first example, which is based on a synthetic dataset, demonstrates the efficacy of RPDG and provides a comparison with another method for sampling PDs. A second example demonstrates the utility of RPDG to solve a materials science problem given a real dataset of small sample size.

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Bayesian nonparametric mixture models are common for modeling complex data. While these models are well-suited for density estimation, their application for clustering has some limitations. Miller and Harrison (2014) proved posterior inconsistency in the number of clusters when the true number of clusters is finite for Dirichlet process and Pitman--Yor process mixture models. In this work, we extend this result to additional Bayesian nonparametric priors such as Gibbs-type processes and finite-dimensional representations of them. The latter include the Dirichlet multinomial process and the recently proposed Pitman--Yor and normalized generalized gamma multinomial processes. We show that mixture models based on these processes are also inconsistent in the number of clusters and discuss possible solutions. Notably, we show that a post-processing algorithm introduced by Guha et al. (2021) for the Dirichlet process extends to more general models and provides a consistent method to estimate the number of components.

In the last decade, global cloud wide-area networks (WANs) have grown 10$\times$ in size due to the deployment of new network sites and datacenters, making it challenging for commercial optimization engines to solve the network traffic engineering (TE) problem within the temporal budget of a few minutes. In this work, we show that carefully designed deep learning models are key to accelerating the running time of intra-WAN TE systems for large deployments since deep learning is both massively parallel and it benefits from the wealth of historical traffic allocation data from production WANs. However, off-the-shelf deep learning methods fail to perform well on the TE task since they ignore the effects of network connectivity on flow allocations. They are also faced with a tractability challenge posed by the large problem scale of TE optimization. Moreover, neural networks do not have mechanisms to readily enforce hard constraints on model outputs (e.g., link capacity constraints). We tackle these challenges by designing a deep learning-based TE system -- Teal. First, Teal leverages graph neural networks (GNN) to faithfully capture connectivity and model network flows. Second, Teal devises a multi-agent reinforcement learning (RL) algorithm to process individual demands independently in parallel to lower the problem scale. Finally, Teal reduces link capacity violations and improves solution quality using the alternating direction method of multipliers (ADMM). We evaluate Teal on traffic matrices of a global commercial cloud provider and find that Teal computes near-optimal traffic allocations with a 59$\times$ speedup over state-of-the-art TE systems on a WAN topology of over 1,500 nodes.

Causal learning has long concerned itself with the accurate recovery of underlying causal mechanisms. Such causal modelling enables better explanations of out-of-distribution data. Prior works on causal learning assume that the high-level causal variables are given. However, in machine learning tasks, one often operates on low-level data like image pixels or high-dimensional vectors. In such settings, the entire Structural Causal Model (SCM) -- structure, parameters, \textit{and} high-level causal variables -- is unobserved and needs to be learnt from low-level data. We treat this problem as Bayesian inference of the latent SCM, given low-level data. For linear Gaussian additive noise SCMs, we present a tractable approximate inference method which performs joint inference over the causal variables, structure and parameters of the latent SCM from random, known interventions. Experiments are performed on synthetic datasets and a causally generated image dataset to demonstrate the efficacy of our approach. We also perform image generation from unseen interventions, thereby verifying out of distribution generalization for the proposed causal model.

This article proposes a graphical model that can handle mixed-type, multi-group data. The motivation for such a model originates from real-world observational data, which often contain groups of samples obtained under heterogeneous conditions in space and time, potentially resulting in differences in network structure among groups. Therefore, the i.i.d. assumption is unrealistic, and fitting a single graphical model on all data results in a network that does not accurately represent the between group differences. In addition, real-world observational data is typically of mixed-type, violating the Gaussian assumption that is typical of graphical models, which leads to the model being unable to adequately recover the underlying graph structure. The proposed model takes into account these properties of data, by treating observed data as transformed latent Gaussian data, and thereby allowing for the attractive properties of the Gaussian distribution such as partial correlations from the inverse covariance matrix to be utilised. In an extensive simulation study, the proposed model is evaluated against alternative models, where the proposed model is better able to recover the true underlying graph structure for different groups. Finally, the proposed model is applied on real production-ecological data pertaining to on-farm maize yield in order to showcase the added value of the proposed method in generating new hypotheses for production ecologists.

Solving large systems of equations is a challenge for modeling natural phenomena, such as simulating subsurface flow. To avoid systems that are intractable on current computers, it is often necessary to neglect information at small scales, an approach known as coarse-graining. For many practical applications, such as flow in porous, homogenous materials, coarse-graining offers a sufficiently-accurate approximation of the solution. Unfortunately, fractured systems cannot be accurately coarse-grained, as critical network topology exists at the smallest scales, including topology that can push the network across a percolation threshold. Therefore, new techniques are necessary to accurately model important fracture systems. Quantum algorithms for solving linear systems offer a theoretically-exponential improvement over their classical counterparts, and in this work we introduce two quantum algorithms for fractured flow. The first algorithm, designed for future quantum computers which operate without error, has enormous potential, but we demonstrate that current hardware is too noisy for adequate performance. The second algorithm, designed to be noise resilient, already performs well for problems of small to medium size (order 10 to 1000 nodes), which we demonstrate experimentally and explain theoretically. We expect further improvements by leveraging quantum error mitigation and preconditioning.

In this paper, we investigate the Gaussian graphical model inference problem in a novel setting that we call erose measurements, referring to irregularly measured or observed data. For graphs, this results in different node pairs having vastly different sample sizes which frequently arises in data integration, genomics, neuroscience, and sensor networks. Existing works characterize the graph selection performance using the minimum pairwise sample size, which provides little insights for erosely measured data, and no existing inference method is applicable. We aim to fill in this gap by proposing the first inference method that characterizes the different uncertainty levels over the graph caused by the erose measurements, named GI-JOE (Graph Inference when Joint Observations are Erose). Specifically, we develop an edge-wise inference method and an affiliated FDR control procedure, where the variance of each edge depends on the sample sizes associated with corresponding neighbors. We prove statistical validity under erose measurements, thanks to careful localized edge-wise analysis and disentangling the dependencies across the graph. Finally, through simulation studies and a real neuroscience data example, we demonstrate the advantages of our inference methods for graph selection from erosely measured data.

Many real-world problems can be naturally described by mathematical formulas. The task of finding formulas from a set of observed inputs and outputs is called symbolic regression. Recently, neural networks have been applied to symbolic regression, among which the transformer-based ones seem to be the most promising. After training the transformer on a large number of formulas (in the order of days), the actual inference, i.e., finding a formula for new, unseen data, is very fast (in the order of seconds). This is considerably faster than state-of-the-art evolutionary methods. The main drawback of transformers is that they generate formulas without numerical constants, which have to be optimized separately, so yielding suboptimal results. We propose a transformer-based approach called SymFormer, which predicts the formula by outputting the individual symbols and the corresponding constants simultaneously. This leads to better performance in terms of fitting the available data. In addition, the constants provided by SymFormer serve as a good starting point for subsequent tuning via gradient descent to further improve the performance. We show on a set of benchmarks that SymFormer outperforms two state-of-the-art methods while having faster inference.

Solving inverse problems is a fundamental component of science, engineering and mathematics. With the advent of deep learning, deep neural networks have significant potential to outperform existing state-of-the-art, model-based methods for solving inverse problems. However, it is known that current data-driven approaches face several key issues, notably hallucinations, instabilities and unpredictable generalization, with potential impact in critical tasks such as medical imaging. This raises the key question of whether or not one can construct deep neural networks for inverse problems with explicit stability and accuracy guarantees. In this work, we present a novel construction of accurate, stable and efficient neural networks for inverse problems with general analysis-sparse models, termed NESTANets. To construct the network, we first unroll NESTA, an accelerated first-order method for convex optimization. The slow convergence of this method leads to deep networks with low efficiency. Therefore, to obtain shallow, and consequently more efficient, networks we combine NESTA with a novel restart scheme. We then use compressed sensing techniques to demonstrate accuracy and stability. We showcase this approach in the case of Fourier imaging, and verify its stability and performance via a series of numerical experiments. The key impact of this work is demonstrating the construction of efficient neural networks based on unrolling with guaranteed stability and accuracy.

We hypothesize that due to the greedy nature of learning in multi-modal deep neural networks, these models tend to rely on just one modality while under-fitting the other modalities. Such behavior is counter-intuitive and hurts the models' generalization, as we observe empirically. To estimate the model's dependence on each modality, we compute the gain on the accuracy when the model has access to it in addition to another modality. We refer to this gain as the conditional utilization rate. In the experiments, we consistently observe an imbalance in conditional utilization rates between modalities, across multiple tasks and architectures. Since conditional utilization rate cannot be computed efficiently during training, we introduce a proxy for it based on the pace at which the model learns from each modality, which we refer to as the conditional learning speed. We propose an algorithm to balance the conditional learning speeds between modalities during training and demonstrate that it indeed addresses the issue of greedy learning. The proposed algorithm improves the model's generalization on three datasets: Colored MNIST, Princeton ModelNet40, and NVIDIA Dynamic Hand Gesture.

We introduce an effective model to overcome the problem of mode collapse when training Generative Adversarial Networks (GAN). Firstly, we propose a new generator objective that finds it better to tackle mode collapse. And, we apply an independent Autoencoders (AE) to constrain the generator and consider its reconstructed samples as "real" samples to slow down the convergence of discriminator that enables to reduce the gradient vanishing problem and stabilize the model. Secondly, from mappings between latent and data spaces provided by AE, we further regularize AE by the relative distance between the latent and data samples to explicitly prevent the generator falling into mode collapse setting. This idea comes when we find a new way to visualize the mode collapse on MNIST dataset. To the best of our knowledge, our method is the first to propose and apply successfully the relative distance of latent and data samples for stabilizing GAN. Thirdly, our proposed model, namely Generative Adversarial Autoencoder Networks (GAAN), is stable and has suffered from neither gradient vanishing nor mode collapse issues, as empirically demonstrated on synthetic, MNIST, MNIST-1K, CelebA and CIFAR-10 datasets. Experimental results show that our method can approximate well multi-modal distribution and achieve better results than state-of-the-art methods on these benchmark datasets. Our model implementation is published here: //github.com/tntrung/gaan

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