Variational inference (VI) can be cast as an optimization problem in which the variational parameters are tuned to closely align a variational distribution with the true posterior. The optimization task can be approached through vanilla gradient descent in black-box VI or natural-gradient descent in natural-gradient VI. In this work, we reframe VI as the optimization of an objective that concerns probability distributions defined over a \textit{variational parameter space}. Subsequently, we propose Wasserstein gradient descent for tackling this optimization problem. Notably, the optimization techniques, namely black-box VI and natural-gradient VI, can be reinterpreted as specific instances of the proposed Wasserstein gradient descent. To enhance the efficiency of optimization, we develop practical methods for numerically solving the discrete gradient flows. We validate the effectiveness of the proposed methods through empirical experiments on a synthetic dataset, supplemented by theoretical analyses.
Sensor network localization (SNL) is a challenging problem due to its inherent non-convexity and the effects of noise in inter-node ranging measurements and anchor node position. We formulate a non-convex SNL problem as a multi-player non-convex potential game and investigate the existence and uniqueness of a Nash equilibrium (NE) in both the ideal setting without measurement noise and the practical setting with measurement noise. We first show that the NE exists and is unique in the noiseless case, and corresponds to the precise network localization. Then, we study the SNL for the case with errors affecting the anchor node position and the inter-node distance measurements. Specifically, we establish that in case these errors are sufficiently small, the NE exists and is unique. It is shown that the NE is an approximate solution to the SNL problem, and that the position errors can be quantified accordingly. Based on these findings, we apply the results to case studies involving only inter-node distance measurement errors and only anchor position information inaccuracies.
A new method called the aggregated sure independence screening is proposed for the computational challenges in variable selection of interactions when the number of explanatory variables is much higher than the number of observations (i.e., $p\gg n$). In this problem, the two main challenges are the strong hierarchical restriction and the number of candidates for the main effects and interactions. If $n$ is a few hundred and $p$ is ten thousand, then the memory needed for the augmented matrix of the full model is more than $100{\rm GB}$ in size, beyond the memory capacity of a personal computer. This issue can be solved by our proposed method but not by our competitors. Two advantages are that the proposed method can include important interactions even if the related main effects are weak or absent, and it can be combined with an arbitrary variable selection method for interactions. The research addresses the main concern for variable selection of interactions because it makes previous methods applicable to the case when $p$ is extremely large.
Practical optimization problems may contain different kinds of difficulties that are often not tractable if one relies on a particular optimization method. Different optimization approaches offer different strengths that are good at tackling one or more difficulty in an optimization problem. For instance, evolutionary algorithms have a niche in handling complexities like discontinuity, non-differentiability, discreteness and non-convexity. However, evolutionary algorithms may get computationally expensive for mathematically well behaved problems with large number of variables for which classical mathematical programming approaches are better suited. In this paper, we demonstrate a decomposition strategy that allows us to synergistically apply two complementary approaches at the same time on a complex optimization problem. Evolutionary algorithms are useful in this context as their flexibility makes pairing with other solution approaches easy. The decomposition idea is a special case of bilevel optimization that separates the difficulties into two levels and assigns different approaches at each level that is better equipped at handling them. We demonstrate the benefits of the proposed decomposition idea on a wide range of test problems.
The integration of Artificial Intelligence (AI) into automation systems has the potential to enhance efficiency and to address currently unsolved existing technical challenges. However, the industry-wide adoption of AI is hindered by the lack of standardized documentation for the complex compositions of automation systems, AI software, production hardware, and their interdependencies. This paper proposes a formal model using standards and ontologies to provide clear and structured documentation of AI applications in automation systems. The proposed information model for artificial intelligence in automation systems (AIAS) utilizes ontology design patterns to map and link various aspects of automation systems and AI software. Validated through a practical example, the model demonstrates its effectiveness in improving documentation practices and aiding the sustainable implementation of AI in industrial settings.
We consider the problem of parameter estimation in a high-dimensional generalized linear model. Spectral methods obtained via the principal eigenvector of a suitable data-dependent matrix provide a simple yet surprisingly effective solution. However, despite their wide use, a rigorous performance characterization, as well as a principled way to preprocess the data, are available only for unstructured (i.i.d.\ Gaussian and Haar orthogonal) designs. In contrast, real-world data matrices are highly structured and exhibit non-trivial correlations. To address the problem, we consider correlated Gaussian designs capturing the anisotropic nature of the features via a covariance matrix $\Sigma$. Our main result is a precise asymptotic characterization of the performance of spectral estimators. This allows us to identify the optimal preprocessing that minimizes the number of samples needed for parameter estimation. Surprisingly, such preprocessing is universal across a broad set of designs, which partly addresses a conjecture on optimal spectral estimators for rotationally invariant models. Our principled approach vastly improves upon previous heuristic methods, including for designs common in computational imaging and genetics. The proposed methodology, based on approximate message passing, is broadly applicable and opens the way to the precise characterization of spiked matrices and of the corresponding spectral methods in a variety of settings.
We explore how much knowing a parametric restriction on propensity scores improves semiparametric efficiency bounds in the potential outcome framework. For stratified propensity scores, considered as a parametric model, we derive explicit formulas for the efficiency gain from knowing how the covariate space is split. Based on these, we find that the efficiency gain decreases as the partition of the stratification becomes finer. For general parametric models, where it is hard to obtain explicit representations of efficiency bounds, we propose a novel framework that enables us to see whether knowing a parametric model is valuable in terms of efficiency even when it is high-dimensional. In addition to the intuitive fact that knowing the parametric model does not help much if it is sufficiently flexible, we discover that the efficiency gain can be nearly zero even though the parametric assumption significantly restricts the space of possible propensity scores.
Graphs are important data representations for describing objects and their relationships, which appear in a wide diversity of real-world scenarios. As one of a critical problem in this area, graph generation considers learning the distributions of given graphs and generating more novel graphs. Owing to their wide range of applications, generative models for graphs, which have a rich history, however, are traditionally hand-crafted and only capable of modeling a few statistical properties of graphs. Recent advances in deep generative models for graph generation is an important step towards improving the fidelity of generated graphs and paves the way for new kinds of applications. This article provides an extensive overview of the literature in the field of deep generative models for graph generation. Firstly, the formal definition of deep generative models for the graph generation and the preliminary knowledge are provided. Secondly, taxonomies of deep generative models for both unconditional and conditional graph generation are proposed respectively; the existing works of each are compared and analyzed. After that, an overview of the evaluation metrics in this specific domain is provided. Finally, the applications that deep graph generation enables are summarized and five promising future research directions are highlighted.
Causality can be described in terms of a structural causal model (SCM) that carries information on the variables of interest and their mechanistic relations. For most processes of interest the underlying SCM will only be partially observable, thus causal inference tries to leverage any exposed information. Graph neural networks (GNN) as universal approximators on structured input pose a viable candidate for causal learning, suggesting a tighter integration with SCM. To this effect we present a theoretical analysis from first principles that establishes a novel connection between GNN and SCM while providing an extended view on general neural-causal models. We then establish a new model class for GNN-based causal inference that is necessary and sufficient for causal effect identification. Our empirical illustration on simulations and standard benchmarks validate our theoretical proofs.
Incompleteness is a common problem for existing knowledge graphs (KGs), and the completion of KG which aims to predict links between entities is challenging. Most existing KG completion methods only consider the direct relation between nodes and ignore the relation paths which contain useful information for link prediction. Recently, a few methods take relation paths into consideration but pay less attention to the order of relations in paths which is important for reasoning. In addition, these path-based models always ignore nonlinear contributions of path features for link prediction. To solve these problems, we propose a novel KG completion method named OPTransE. Instead of embedding both entities of a relation into the same latent space as in previous methods, we project the head entity and the tail entity of each relation into different spaces to guarantee the order of relations in the path. Meanwhile, we adopt a pooling strategy to extract nonlinear and complex features of different paths to further improve the performance of link prediction. Experimental results on two benchmark datasets show that the proposed model OPTransE performs better than state-of-the-art methods.
Incorporating knowledge graph into recommender systems has attracted increasing attention in recent years. By exploring the interlinks within a knowledge graph, the connectivity between users and items can be discovered as paths, which provide rich and complementary information to user-item interactions. Such connectivity not only reveals the semantics of entities and relations, but also helps to comprehend a user's interest. However, existing efforts have not fully explored this connectivity to infer user preferences, especially in terms of modeling the sequential dependencies within and holistic semantics of a path. In this paper, we contribute a new model named Knowledge-aware Path Recurrent Network (KPRN) to exploit knowledge graph for recommendation. KPRN can generate path representations by composing the semantics of both entities and relations. By leveraging the sequential dependencies within a path, we allow effective reasoning on paths to infer the underlying rationale of a user-item interaction. Furthermore, we design a new weighted pooling operation to discriminate the strengths of different paths in connecting a user with an item, endowing our model with a certain level of explainability. We conduct extensive experiments on two datasets about movie and music, demonstrating significant improvements over state-of-the-art solutions Collaborative Knowledge Base Embedding and Neural Factorization Machine.