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Incorporating physical constraints in a deep probabilistic machine learning framework for coarse-graining dynamical systems

arXiv.org Machine Learning

Data-based discovery of effective, coarse-grained (CG) models of high-dimensional dynamical systems presents a unique challenge in computational physics and particularly in the context of multiscale problems. The present paper offers a data-based, probablistic perspective that enables the quantification of predictive uncertainties. One of the outstanding problems has been the introduction of physical constraints in the probabilistic machine learning objectives. The primary utility of such constraints stems from the undisputed physical laws such as conservation of mass, energy etc that they represent. Furthermore and apart from leading to physically realistic predictions, they can significantly reduce the requisite amount of training data which for high-dimensional, multiscale systems are expensive to obtain (Small Data regime). We formulate the coarse-graining process by employing a probabilistic state-space model and account for the aforementioned equality constraints as virtual observables in the associated densities. We demonstrate how probabilistic inference tools can be employed to identify the coarse-grained variables in combination with deep neural nets and their evolution model without ever needing to define a fine-to-coarse (restriction) projection and without needing time-derivatives of state variables. The formulation adopted enables the quantification of a crucial, and often neglected, component in the CG process, i.e. the predictive uncertainty due to information loss. Furthermore, it is capable of reconstructing the evolution of the full, fine-scale system and therefore the observables of interest need not be selected a priori. We demonstrate the efficacy of the proposed framework by applying it to systems of interacting particles and an image series of a nonlinear pendulum. In both cases we identify the underlying coarse dynamics and can generate extrap-olative predicitions including the forming and propagation of a shock for the particle systems and a stable trajectory in the phase space for the pendulum. Keywords: Bayesian machine learning, virtual observables, multiscale modeling, reduced order modeling, coarse graining1. Introduction High-dimensional, nonlinear dynamical systems are ubiquitous in applied physics and engineering. The computational resources needed for their solution can grow exponentially with the dimension of the state-space as well as with the smallest timescale that needs to be resolved as this determines the discretization time-step.


Bayesian Tensor Network and Optimization Algorithm for Probabilistic Machine Learning

arXiv.org Machine Learning

Describing or calculating the conditional probabilities of multiple events is exponentially expensive. In this work, a natural generalization of Bayesian belief network is proposed by incorporating with tensor network, which is dubbed as Bayesian tensor network (BTN), to efficiently describe the conditional probabilities among multiple sets of events. The complexity of BTN that gives the conditional probabilities of $M$ sets of events scales only polynomially with $M$. To testify its validity, BTN is implemented to capture the conditional probabilities between images and their classifications, where each feature is mapped to a probability distribution of a set of mutually exclusive events. A rotation optimization method is suggested to update BTN, which avoids gradient vanishing problem and exhibits high efficiency. With a simple tree network structures, BTN exhibits competitive performances on fashion-MNIST dataset. Analogous to the tensor network simulations of quantum systems, the validity of BTN implies an "area law" of fluctuations in image recognition problems.


Schr\"odinger Bridge Samplers

arXiv.org Machine Learning

Consider a reference Markov process with initial distribution $\pi_{0}$ and transition kernels $\{M_{t}\}_{t\in[1:T]}$, for some $T\in\mathbb{N}$. Assume that you are given distribution $\pi_{T}$, which is not equal to the marginal distribution of the reference process at time $T$. In this scenario, Schr\"odinger addressed the problem of identifying the Markov process with initial distribution $\pi_{0}$ and terminal distribution equal to $\pi_{T}$ which is the closest to the reference process in terms of Kullback--Leibler divergence. This special case of the so-called Schr\"odinger bridge problem can be solved using iterative proportional fitting, also known as the Sinkhorn algorithm. We leverage these ideas to develop novel Monte Carlo schemes, termed Schr\"odinger bridge samplers, to approximate a target distribution $\pi$ on $\mathbb{R}^{d}$ and to estimate its normalizing constant. This is achieved by iteratively modifying the transition kernels of the reference Markov chain to obtain a process whose marginal distribution at time $T$ becomes closer to $\pi_T = \pi$, via regression-based approximations of the corresponding iterative proportional fitting recursion. We report preliminary experiments and make connections with other problems arising in the optimal transport, optimal control and physics literatures.


Build Your First Chatbot in Python

#artificialintelligence

Building a chatbot is a great way to ensure that your customers or visitors get a good experience any time they visit your page. We saw the theoretical components of a chatbot in this article. Let us now see how to write it in code. We will use python for this. We will use the NLTK python library to do most of our tasks.


Multiview Representation Learning for a Union of Subspaces

arXiv.org Machine Learning

Canonical correlation analysis (CCA) is a popular technique for learning representations that are maximally correlated across multiple views in data. In this paper, we extend the CCA based framework for learning a multiview mixture model. We show that the proposed model and a set of simple heuristics yield improvements over standard CCA, as measured in terms of performance on downstream tasks. Our experimental results show that our correlation-based objective meaningfully generalizes the CCA objective to a mixture of CCA models.


CHAMELEON: A Deep Learning Meta-Architecture for News Recommender Systems [Phd. Thesis]

arXiv.org Machine Learning

Recommender Systems (RS) have became a popular research topic and, since 2016, Deep Learning methods and techniques have been increasingly explored in this area. News RS are aimed to personalize users experiences and help them discover relevant articles from a large and dynamic search space. The main contribution of this research was named CHAMELEON, a Deep Learning meta-architecture designed to tackle the specific challenges of news recommendation. It consists of a modular reference architecture which can be instantiated using different neural building blocks. As information about users' past interactions is scarce in the news domain, the user context can be leveraged to deal with the user cold-start problem. Articles' content is also important to tackle the item cold-start problem. Additionally, the temporal decay of items (articles) relevance is very accelerated in the news domain. Furthermore, external breaking events may temporally attract global readership attention, a phenomenon generally known as concept drift in machine learning. All those characteristics are explicitly modeled on this research by a contextual hybrid session-based recommendation approach using Recurrent Neural Networks. The task addressed by this research is session-based news recommendation, i.e., next-click prediction using only information available in the current user session. A method is proposed for a realistic temporal offline evaluation of such task, replaying the stream of user clicks and fresh articles being continuously published in a news portal. Experiments performed with two large datasets have shown the effectiveness of the CHAMELEON for news recommendation on many quality factors such as accuracy, item coverage, novelty, and reduced item cold-start problem, when compared to other traditional and state-of-the-art session-based recommendation algorithms.


Hierarchical Variational Imitation Learning of Control Programs

arXiv.org Machine Learning

Autonomous agents can learn by imitating teacher demonstrations of the intended behavior. Hierarchical control policies are ubiquitously useful for such learning, having the potential to break down structured tasks into simpler sub-tasks, thereby improving data efficiency and generalization. In this paper, we propose a variational inference method for imitation learning of a control policy represented by parametrized hierarchical procedures (PHP), a program-like structure in which procedures can invoke sub-procedures to perform sub-tasks. Our method discovers the hierarchical structure in a dataset of observation-action traces of teacher demonstrations, by learning an approximate posterior distribution over the latent sequence of procedure calls and terminations. Samples from this learned distribution then guide the training of the hierarchical control policy. We identify and demonstrate a novel benefit of variational inference in the context of hierarchical imitation learning: in decomposing the policy into simpler procedures, inference can leverage acausal information that is unused by other methods. Training PHP with variational inference outperforms LSTM baselines in terms of data efficiency and generalization, requiring less than half as much data to achieve a 24% error rate in executing the bubble sort algorithm, and to achieve no error in executing Karel programs.


On the Validity of Bayesian Neural Networks for Uncertainty Estimation

arXiv.org Machine Learning

Deep neural networks (DNN) are versatile parametric models utilised successfully in a diverse number of tasks and domains. However, they have limitations---particularly from their lack of robustness and over-sensitivity to out of distribution samples. Bayesian Neural Networks, due to their formulation under the Bayesian framework, provide a principled approach to building neural networks that address these limitations. This paper describes a study that empirically evaluates and compares Bayesian Neural Networks to their equivalent point estimate Deep Neural Networks to quantify the predictive uncertainty induced by their parameters, as well as their performance in view of this uncertainty. In this study, we evaluated and compared three point estimate deep neural networks against comparable Bayesian neural network alternatives using two well-known benchmark image classification datasets (CIFAR-10 and SVHN).


Speeding up reinforcement learning by combining attention and agency features

arXiv.org Artificial Intelligence

When playing video-games we immediately detect which entity we control and we center the attention towards it to focus the learning and reduce its dimensionality. Reinforcement Learning (RL) has been able to deal with big state spaces, including states derived from pixel images in Atari games, but the learning is slow, depends on the brute force mapping from the global state to the action values (Q-function), thus its performance is severely affected by the dimensionality of the state and cannot be transferred to other games or other parts of the same game. We propose different transformations of the input state that combine attention and agency detection mechanisms which both have been addressed separately in RL but not together to our knowledge. We propose and benchmark different architectures including both global and local agency centered versions of the state and also including summaries of the surroundings. Results suggest that even a redundant global-local state network can learn faster than the global alone. Summarized versions of the state look promising to achieve input-size independence learning.


Value of structural health monitoring quantification in partially observable stochastic environments

arXiv.org Artificial Intelligence

Sequential decision-making under uncertainty for optimal life-cycle control of deteriorating engineering systems and infrastructure entails two fundamental classes of decisions. The first class pertains to the various structural interventions, which can directly modify the existing properties of the system, while the second class refers to prescribing appropriate inspection and monitoring schemes, which are essential for updating our existing knowledge about the system states. The latter have to rely on quantifiable measures of efficiency, determined on the basis of objective criteria that, among others, consider the Value of Information (VoI) of different observational strategies, and the Value of Structural Health Monitoring (VoSHM) over the entire system life-cycle. In this work, we present general solutions for quantifying the VoI and VoSHM in partially observable stochastic domains, and although our definitions and methodology are general, we are particularly emphasizing and describing the role of Partially Observable Markov Decision Processes (POMDPs) in solving this problem, due to their advantageous theoretical and practical attributes in estimating arbitrarily well globally optimal policies. POMDP formulations are articulated for different structural environments having shared intervention actions but diversified inspection and monitoring options, thus enabling VoI and VoSHM estimation through their differentiated stochastic optimal control policies. POMDP solutions are derived using point-based solvers, which can efficiently approximate the POMDP value functions through Bellman backups at selected reachable points of the belief space. The suggested methodology is applied on stationary and non-stationary deteriorating environments, with both infinite and finite planning horizons, featuring single- or multi-component engineering systems.