Weight-tied models have attracted attention in the modern development of neural networks. The deep equilibrium model (DEQ) represents infinitely deep neural networks with weight-tying, and recent studies have shown the potential of this type of approach. DEQs are needed to iteratively solve root-finding problems in training and are built on the assumption that the underlying dynamics determined by the models converge to a fixed point. In this paper, we present the stable invariant model (SIM), a new class of deep models that in principle approximates DEQs under stability and extends the dynamics to more general ones converging to an invariant set (not restricted in a fixed point). The key ingredient in deriving SIMs is a representation of the dynamics with the spectra of the Koopman and Perron--Frobenius operators. This perspective approximately reveals stable dynamics with DEQs and then derives two variants of SIMs. We also propose an implementation of SIMs that can be learned in the same way as feedforward models. We illustrate the empirical performance of SIMs with experiments and demonstrate that SIMs achieve comparative or superior performance against DEQs in several learning tasks.
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ACM/IEEE第23屆模型驅動工程語言和系統國際會議，是模型驅動軟件和系統工程的首要會議系列，由ACM-SIGSOFT和IEEE-TCSE支持組織。自1998年以來，模型涵蓋了建模的各個方面，從語言和方法到工具和應用程序。模特的參加者來自不同的背景，包括研究人員、學者、工程師和工業專業人士。MODELS 2019是一個論壇，參與者可以圍繞建模和模型驅動的軟件和系統交流前沿研究成果和創新實踐經驗。今年的版本將為建模社區提供進一步推進建模基礎的機會，并在網絡物理系統、嵌入式系統、社會技術系統、云計算、大數據、機器學習、安全、開源等新興領域提出建模的創新應用以及可持續性。
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Bayesian model selection provides a powerful framework for objectively comparing models directly from observed data, without reference to ground truth data. However, Bayesian model selection requires the computation of the marginal likelihood (model evidence), which is computationally challenging, prohibiting its use in many high-dimensional Bayesian inverse problems. With Bayesian imaging applications in mind, in this work we present the proximal nested sampling methodology to objectively compare alternative Bayesian imaging models for applications that use images to inform decisions under uncertainty. The methodology is based on nested sampling, a Monte Carlo approach specialised for model comparison, and exploits proximal Markov chain Monte Carlo techniques to scale efficiently to large problems and to tackle models that are log-concave and not necessarily smooth (e.g., involving l_1 or total-variation priors). The proposed approach can be applied computationally to problems of dimension O(10^6) and beyond, making it suitable for high-dimensional inverse imaging problems. It is validated on large Gaussian models, for which the likelihood is available analytically, and subsequently illustrated on a range of imaging problems where it is used to analyse different choices of dictionary and measurement model.
Learning and reasoning about physical phenomena is still a challenge in robotics development, and computational sciences play a capital role in the search for accurate methods able to provide explanations for past events and rigorous forecasts of future situations. We propose a thermodynamics-informed active learning strategy for fluid perception and reasoning from observations. As a model problem, we take the sloshing phenomena of different fluids contained in a glass. Starting from full-field and high-resolution synthetic data for a particular fluid, we develop a method for the tracking (perception) and analysis (reasoning) of any previously unseen liquid whose free surface is observed with a commodity camera. This approach demonstrates the importance of physics and knowledge not only in data-driven (grey box) modeling but also in the correction for real physics adaptation in low data regimes and partial observations of the dynamics. The method presented is extensible to other domains such as the development of cognitive digital twins, able to learn from observation of phenomena for which they have not been trained explicitly.
A deep learning-based model reduction (DeePMR) method for simplifying chemical kinetics is proposed and validated using high-temperature auto-ignitions, perfectly stirred reactors (PSR), and one-dimensional freely propagating flames of n-heptane/air mixtures. The mechanism reduction is modeled as an optimization problem on Boolean space, where a Boolean vector, each entry corresponding to a species, represents a reduced mechanism. The optimization goal is to minimize the reduced mechanism size given the error tolerance of a group of pre-selected benchmark quantities. The key idea of the DeePMR is to employ a deep neural network (DNN) to formulate the objective function in the optimization problem. In order to explore high dimensional Boolean space efficiently, an iterative DNN-assisted data sampling and DNN training procedure are implemented. The results show that DNN-assistance improves sampling efficiency significantly, selecting only $10^5$ samples out of $10^{34}$ possible samples for DNN to achieve sufficient accuracy. The results demonstrate the capability of the DNN to recognize key species and reasonably predict reduced mechanism performance. The well-trained DNN guarantees the optimal reduced mechanism by solving an inverse optimization problem. By comparing ignition delay times, laminar flame speeds, temperatures in PSRs, the resulting skeletal mechanism has fewer species (45 species) but the same level of accuracy as the skeletal mechanism (56 species) obtained by the Path Flux Analysis (PFA) method. In addition, the skeletal mechanism can be further reduced to 28 species if only considering atmospheric, near-stoichiometric conditions (equivalence ratio between 0.6 and 1.2). The DeePMR provides an innovative way to perform model reduction and demonstrates the great potential of data-driven methods in the combustion area.
Although there is an extensive literature on the eigenvalues of high-dimensional sample covariance matrices, much of it is specialized to Mar\v{c}enko-Pastur (MP) models -- in which observations are represented as linear transformations of random vectors with independent entries. By contrast, less is known in the context of elliptical models, which violate the independence structure of MP models and exhibit quite different statistical phenomena. In particular, very little is known about the scope of bootstrap methods for doing inference with spectral statistics in high-dimensional elliptical models. To fill this gap, we show how a bootstrap approach developed previously for MP models can be extended to handle the different properties of elliptical models. Within this setting, our main theoretical result guarantees that the proposed method consistently approximates the distributions of linear spectral statistics, which play a fundamental role in multivariate analysis. Lastly, we provide empirical results showing that the proposed method also performs well for a variety of nonlinear spectral statistics.
Physical simulations based on partial differential equations typically generate spatial fields results, which are utilized to calculate specific properties of a system for engineering design and optimization. Due to the intensive computational burden of the simulations, a surrogate model mapping the low-dimensional inputs to the spatial fields are commonly built based on a relatively small dataset. To resolve the challenge of predicting the whole spatial field, the popular linear model of coregionalization (LMC) can disentangle complicated correlations within the high-dimensional spatial field outputs and deliver accurate predictions. However, LMC fails if the spatial field cannot be well approximated by a linear combination of base functions with latent processes. In this paper, we present the Extended Linear Model of Coregionalization (E-LMC) by introducing an invertible neural network to linearize the highly complex and nonlinear spatial fields so that the LMC can easily generalize to nonlinear problems while preserving the traceability and scalability. Several real-world applications demonstrate that E-LMC can exploit spatial correlations effectively, showing a maximum improvement of about 40% over the original LMC and outperforming the other state-of-the-art spatial field models.
We consider the tasks of learning quantum states, measurements and channels generated by continuous-variable (CV) quantum circuits. This family of circuits is suited to describe optical quantum technologies and in particular it includes state-of-the-art photonic processors capable of showing quantum advantage. We define classes of functions that map classical variables, encoded into the CV circuit parameters, to outcome probabilities evaluated on those circuits. We then establish efficient learnability guarantees for such classes, by computing bounds on their pseudo-dimension or covering numbers, showing that CV quantum circuits can be learned with a sample complexity that scales polynomially with the circuit's size, i.e., the number of modes. Our results establish that CV circuits can be trained efficiently using a number of training samples that, unlike their finite-dimensional counterpart, does not scale with the circuit depth.
Recent advances in Bayesian models for random partitions have led to the formulation and exploration of Exchangeable Sequences of Clusters (ESC) models. Under ESC models, it is the cluster sizes that are exchangeable, rather than the observations themselves. This property is particularly useful for obtaining microclustering behavior, whereby cluster sizes grow sublinearly in the number of observations, as is common in applications such as record linkage, sparse networks and genomics. Unfortunately, the exchangeable clusters property comes at the cost of projectivity. As a consequence, in contrast to more traditional Dirichlet Process or Pitman-Yor process mixture models, samples a priori from ESC models cannot be easily obtained in a sequential fashion and instead require the use of rejection or importance sampling. In this work, drawing on connections between ESC models and discrete renewal theory, we obtain closed-form expressions for certain ESC models and develop faster methods for generating samples a priori from these models compared with the existing state of the art. In the process, we establish analytical expressions for the distribution of the number of clusters under ESC models, which was unknown prior to this work.
Graph machine learning has been extensively studied in both academic and industry. However, as the literature on graph learning booms with a vast number of emerging methods and techniques, it becomes increasingly difficult to manually design the optimal machine learning algorithm for different graph-related tasks. To tackle the challenge, automated graph machine learning, which aims at discovering the best hyper-parameter and neural architecture configuration for different graph tasks/data without manual design, is gaining an increasing number of attentions from the research community. In this paper, we extensively discuss automated graph machine approaches, covering hyper-parameter optimization (HPO) and neural architecture search (NAS) for graph machine learning. We briefly overview existing libraries designed for either graph machine learning or automated machine learning respectively, and further in depth introduce AutoGL, our dedicated and the world's first open-source library for automated graph machine learning. Last but not least, we share our insights on future research directions for automated graph machine learning. This paper is the first systematic and comprehensive discussion of approaches, libraries as well as directions for automated graph machine learning.
Recent advances in maximizing mutual information (MI) between the source and target have demonstrated its effectiveness in text generation. However, previous works paid little attention to modeling the backward network of MI (i.e., dependency from the target to the source), which is crucial to the tightness of the variational information maximization lower bound. In this paper, we propose Adversarial Mutual Information (AMI): a text generation framework which is formed as a novel saddle point (min-max) optimization aiming to identify joint interactions between the source and target. Within this framework, the forward and backward networks are able to iteratively promote or demote each other's generated instances by comparing the real and synthetic data distributions. We also develop a latent noise sampling strategy that leverages random variations at the high-level semantic space to enhance the long term dependency in the generation process. Extensive experiments based on different text generation tasks demonstrate that the proposed AMI framework can significantly outperform several strong baselines, and we also show that AMI has potential to lead to a tighter lower bound of maximum mutual information for the variational information maximization problem.
While it is nearly effortless for humans to quickly assess the perceptual similarity between two images, the underlying processes are thought to be quite complex. Despite this, the most widely used perceptual metrics today, such as PSNR and SSIM, are simple, shallow functions, and fail to account for many nuances of human perception. Recently, the deep learning community has found that features of the VGG network trained on the ImageNet classification task has been remarkably useful as a training loss for image synthesis. But how perceptual are these so-called "perceptual losses"? What elements are critical for their success? To answer these questions, we introduce a new Full Reference Image Quality Assessment (FR-IQA) dataset of perceptual human judgments, orders of magnitude larger than previous datasets. We systematically evaluate deep features across different architectures and tasks and compare them with classic metrics. We find that deep features outperform all previous metrics by huge margins. More surprisingly, this result is not restricted to ImageNet-trained VGG features, but holds across different deep architectures and levels of supervision (supervised, self-supervised, or even unsupervised). Our results suggest that perceptual similarity is an emergent property shared across deep visual representations.
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