In this work we propose an extension of physics informed supervised learning strategies to parametric partial differential equations. Indeed, even if the latter are indisputably useful in many applications, they can be computationally expensive most of all in a real-time and many-query setting. Thus, our main goal is to provide a physics informed learning paradigm to simulate parametrized phenomena in a small amount of time. The physics information will be exploited in many ways, in the loss function (standard physics informed neural networks), as an augmented input (extra feature employment) and as a guideline to build an effective structure for the neural network (physics informed architecture). These three aspects, combined together, will lead to a faster training phase and to a more accurate parametric prediction. The methodology has been tested for several equations and also in an optimal control framework.
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The crucial role played by the underlying symmetries of high energy physics and lattice field theories calls for the implementation of such symmetries in the neural network architectures that are applied to the physical system under consideration. In these proceedings, we focus on the consequences of incorporating translational equivariance among the network properties, particularly in terms of performance and generalization. The benefits of equivariant networks are exemplified by studying a complex scalar field theory, on which various regression and classification tasks are examined. For a meaningful comparison, promising equivariant and non-equivariant architectures are identified by means of a systematic search. The results indicate that in most of the tasks our best equivariant architectures can perform and generalize significantly better than their non-equivariant counterparts, which applies not only to physical parameters beyond those represented in the training set, but also to different lattice sizes.
In recent years, the use of machine learning has become increasingly popular in the context of lattice field theories. An essential element of such theories is represented by symmetries, whose inclusion in the neural network properties can lead to high reward in terms of performance and generalizability. A fundamental symmetry that usually characterizes physical systems on a lattice with periodic boundary conditions is equivariance under spacetime translations. Here we investigate the advantages of adopting translationally equivariant neural networks in favor of non-equivariant ones. The system we consider is a complex scalar field with quartic interaction on a two-dimensional lattice in the flux representation, on which the networks carry out various regression and classification tasks. Promising equivariant and non-equivariant architectures are identified with a systematic search. We demonstrate that in most of these tasks our best equivariant architectures can perform and generalize significantly better than their non-equivariant counterparts, which applies not only to physical parameters beyond those represented in the training set, but also to different lattice sizes.
We propose a new adaptive hypothesis test for polyhedral cone (e.g., monotonicity, convexity) and equality (e.g., parametric, semiparametric) restrictions on a structural function in a nonparametric instrumental variables (NPIV) model. Our test statistic is based on a modified leave-one-out sample analog of a quadratic distance between the restricted and unrestricted sieve NPIV estimators. We provide computationally simple, data-driven choices of sieve tuning parameters and adjusted chi-squared critical values. Our test adapts to the unknown smoothness of alternative functions in the presence of unknown degree of endogeneity and unknown strength of the instruments. It attains the adaptive minimax rate of testing in $L^2$. That is, the sum of its type I error uniformly over the composite null and its type II error uniformly over nonparametric alternative models cannot be improved by any other hypothesis test for NPIV models of unknown regularities. Data-driven confidence sets in $L^2$ are obtained by inverting the adaptive test. Simulations confirm that our adaptive test controls size and its finite-sample power greatly exceeds existing non-adaptive tests for monotonicity and parametric restrictions in NPIV models. Empirical applications to test for shape restrictions of differentiated products demand and of Engel curves are presented.
A framework is presented for fitting inverse problem models via variational Bayes approximations. This methodology guarantees flexibility to statistical model specification for a broad range of applications, good accuracy performances and reduced model fitting times, when compared with standard Markov chain Monte Carlo methods. The message passing and factor graph fragment approach to variational Bayes we describe facilitates streamlined implementation of approximate inference algorithms and forms the basis to software development. Such approach allows for supple inclusion of numerous response distributions and penalizations into the inverse problem model. Even though our work is circumscribed to one- and two-dimensional response variables, we lay down an infrastructure where efficient algorithm updates based on nullifying weak interactions between variables can also be derived for inverse problems in higher dimensions. Image processing applications motivated by biomedical and archaeological problems are included as illustrations.
Knowledge graph reasoning, which aims at predicting the missing facts through reasoning with the observed facts, is critical to many applications. Such a problem has been widely explored by traditional logic rule-based approaches and recent knowledge graph embedding methods. A principled logic rule-based approach is the Markov Logic Network (MLN), which is able to leverage domain knowledge with first-order logic and meanwhile handle their uncertainty. However, the inference of MLNs is usually very difficult due to the complicated graph structures. Different from MLNs, knowledge graph embedding methods (e.g. TransE, DistMult) learn effective entity and relation embeddings for reasoning, which are much more effective and efficient. However, they are unable to leverage domain knowledge. In this paper, we propose the probabilistic Logic Neural Network (pLogicNet), which combines the advantages of both methods. A pLogicNet defines the joint distribution of all possible triplets by using a Markov logic network with first-order logic, which can be efficiently optimized with the variational EM algorithm. In the E-step, a knowledge graph embedding model is used for inferring the missing triplets, while in the M-step, the weights of logic rules are updated based on both the observed and predicted triplets. Experiments on multiple knowledge graphs prove the effectiveness of pLogicNet over many competitive baselines.
In this paper, from a theoretical perspective, we study how powerful graph neural networks (GNNs) can be for learning approximation algorithms for combinatorial problems. To this end, we first establish a new class of GNNs that can solve strictly a wider variety of problems than existing GNNs. Then, we bridge the gap between GNN theory and the theory of distributed local algorithms to theoretically demonstrate that the most powerful GNN can learn approximation algorithms for the minimum dominating set problem and the minimum vertex cover problem with some approximation ratios and that no GNN can perform better than with these ratios. This paper is the first to elucidate approximation ratios of GNNs for combinatorial problems. Furthermore, we prove that adding coloring or weak-coloring to each node feature improves these approximation ratios. This indicates that preprocessing and feature engineering theoretically strengthen model capabilities.
Deep reinforcement learning is the combination of reinforcement learning (RL) and deep learning. This field of research has been able to solve a wide range of complex decision-making tasks that were previously out of reach for a machine. Thus, deep RL opens up many new applications in domains such as healthcare, robotics, smart grids, finance, and many more. This manuscript provides an introduction to deep reinforcement learning models, algorithms and techniques. Particular focus is on the aspects related to generalization and how deep RL can be used for practical applications. We assume the reader is familiar with basic machine learning concepts.
Attributed network embedding has received much interest from the research community as most of the networks come with some content in each node, which is also known as node attributes. Existing attributed network approaches work well when the network is consistent in structure and attributes, and nodes behave as expected. But real world networks often have anomalous nodes. Typically these outliers, being relatively unexplainable, affect the embeddings of other nodes in the network. Thus all the downstream network mining tasks fail miserably in the presence of such outliers. Hence an integrated approach to detect anomalies and reduce their overall effect on the network embedding is required. Towards this end, we propose an unsupervised outlier aware network embedding algorithm (ONE) for attributed networks, which minimizes the effect of the outlier nodes, and hence generates robust network embeddings. We align and jointly optimize the loss functions coming from structure and attributes of the network. To the best of our knowledge, this is the first generic network embedding approach which incorporates the effect of outliers for an attributed network without any supervision. We experimented on publicly available real networks and manually planted different types of outliers to check the performance of the proposed algorithm. Results demonstrate the superiority of our approach to detect the network outliers compared to the state-of-the-art approaches. We also consider different downstream machine learning applications on networks to show the efficiency of ONE as a generic network embedding technique. The source code is made available at //github.com/sambaranban/ONE.
We propose a new method of estimation in topic models, that is not a variation on the existing simplex finding algorithms, and that estimates the number of topics K from the observed data. We derive new finite sample minimax lower bounds for the estimation of A, as well as new upper bounds for our proposed estimator. We describe the scenarios where our estimator is minimax adaptive. Our finite sample analysis is valid for any number of documents (n), individual document length (N_i), dictionary size (p) and number of topics (K), and both p and K are allowed to increase with n, a situation not handled well by previous analyses. We complement our theoretical results with a detailed simulation study. We illustrate that the new algorithm is faster and more accurate than the current ones, although we start out with a computational and theoretical disadvantage of not knowing the correct number of topics K, while we provide the competing methods with the correct value in our simulations.
Many resource allocation problems in the cloud can be described as a basic Virtual Network Embedding Problem (VNEP): finding mappings of request graphs (describing the workloads) onto a substrate graph (describing the physical infrastructure). In the offline setting, the two natural objectives are profit maximization, i.e., embedding a maximal number of request graphs subject to the resource constraints, and cost minimization, i.e., embedding all requests at minimal overall cost. The VNEP can be seen as a generalization of classic routing and call admission problems, in which requests are arbitrary graphs whose communication endpoints are not fixed. Due to its applications, the problem has been studied intensively in the networking community. However, the underlying algorithmic problem is hardly understood. This paper presents the first fixed-parameter tractable approximation algorithms for the VNEP. Our algorithms are based on randomized rounding. Due to the flexible mapping options and the arbitrary request graph topologies, we show that a novel linear program formulation is required. Only using this novel formulation the computation of convex combinations of valid mappings is enabled, as the formulation needs to account for the structure of the request graphs. Accordingly, to capture the structure of request graphs, we introduce the graph-theoretic notion of extraction orders and extraction width and show that our algorithms have exponential runtime in the request graphs' maximal width. Hence, for request graphs of fixed extraction width, we obtain the first polynomial-time approximations. Studying the new notion of extraction orders we show that (i) computing extraction orders of minimal width is NP-hard and (ii) that computing decomposable LP solutions is in general NP-hard, even when restricting request graphs to planar ones.
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