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Probability Distributions.- Linear Models for Regression.- Linear Models for Classification.- Neural Networks.- Kernel Methods.- Sparse Kernel Machines.- Graphical Models.- Mixture Models and EM.- Approximate Inference.- Sampling Methods.- Continuous Latent Variables.- Sequential Data.- Combining Models.

Pattern Recognition and Machine Learning

Human knowledge provides a formal understanding of the world. Knowledge graphs that represent structural relations between entities have become an increasingly popular research direction toward cognition and human-level intelligence. In this survey, we provide a comprehensive review of the knowledge graph covering overall research topics about: 1) knowledge graph representation learning; 2) knowledge acquisition and completion; 3) temporal knowledge graph; and 4) knowledge-aware applications and summarize recent breakthroughs and perspective directions to facilitate future research. We propose a full-view categorization and new taxonomies on these topics. Knowledge graph embedding is organized from four aspects of representation space, scoring function, encoding models, and auxiliary information. For knowledge acquisition, especially knowledge graph completion, embedding methods, path inference, and logical rule reasoning are reviewed. We further explore several emerging topics, including metarelational learning, commonsense reasoning, and temporal knowledge graphs. To facilitate future research on knowledge graphs, we also provide a curated collection of data sets and open-source libraries on different tasks. In the end, we have a thorough outlook on several promising research directions.

A Survey on Knowledge Graphs: Representation, Acquisition and Applications

Uncertainty quantification (UQ) plays a pivotal role in reduction of uncertainties during both optimization and decision making processes. It can be applied to solve a variety of real-world applications in science and engineering. Bayesian approximation and ensemble learning techniques are two most widely-used UQ methods in the literature. In this regard, researchers have proposed different UQ methods and examined their performance in a variety of applications such as computer vision (e.g., self-driving cars and object detection), image processing (e.g., image restoration), medical image analysis (e.g., medical image classification and segmentation), natural language processing (e.g., text classification, social media texts and recidivism risk-scoring), bioinformatics, etc. This study reviews recent advances in UQ methods used in deep learning. Moreover, we also investigate the application of these methods in reinforcement learning (RL). Then, we outline a few important applications of UQ methods. Finally, we briefly highlight the fundamental research challenges faced by UQ methods and discuss the future research directions in this field.

A Review of Uncertainty Quantification in Deep Learning: Techniques, Applications and Challenges

: Significant progress has been made with solution of location problems and in preprocessing and decomposition for discrete optimization. There has also been research on the application of techniques from combinational optimization to nonlinear problems.

http://www.dtic.mil/dtic/tr/fulltext/u2/a273552.pdf

Discrete Applied Mathematics

Many important problems in science and engineering, such as drug design, involve optimizing an expensive black-box objective function over a complex, high-dimensional, and structured input space. Although machine learning techniques have shown promise in solving such problems, existing approaches substantially lack sample efficiency. We introduce an improved method for efficient black-box optimization, which performs the optimization in the low-dimensional, continuous latent manifold learned by a deep generative model. In contrast to previous approaches, we actively steer the generative model to maintain a latent manifold that is highly useful for efficiently optimizing the objective. We achieve this by periodically retraining the generative model on the data points queried along the optimization trajectory, as well as weighting those data points according to their objective function value. This weighted retraining can be easily implemented on top of existing methods, and is empirically shown to significantly improve their efficiency and performance on synthetic and real-world optimization problems.

/pdf/sample-efficient-optimization-in-the-latent-space-of-deep-2x9qhxpiw0.pdf

Sample-Efficient Optimization in the Latent Space of Deep Generative Models via Weighted Retraining

Embedding models for episodic knowledge graphs

This paper presents a novel distributed batch Gaussian process upper confidence bound (DB-GP-UCB) algorithm for performing batch Bayesian optimization (BO) of highly complex, costly-to-evaluate black-box objective functions. In contrast to existing batch BO algorithms, DBGP-UCB can jointly optimize a batch of inputs (as opposed to selecting the inputs of a batch one at a time) while still preserving scalability in the batch size. To realize this, we generalize GP-UCB to a new batch variant amenable to a Markov approximation, which can then be naturally formulated as a multi-agent distributed constraint optimization problem in order to fully exploit the efficiency of its state-of-the-art solvers for achieving linear time in the batch size. Our DB-GP-UCB algorithm offers practitioners the flexibility to trade off between the approximation quality and time efficiency by varying the Markov order. We provide a theoretical guarantee for the convergence rate of DB-GP-UCB via bounds on its cumulative regret. Empirical evaluation on synthetic benchmark objective functions and a real-world optimization problem shows that DB-GP-UCB outperforms the stateof-the-art batch BO algorithms.

/pdf/distributed-batch-gaussian-process-optimization-3ht2ay0jxb.pdf

Distributed Batch Gaussian Process Optimization

Despite their successes, deep neural networks may make unreliable predictions when faced with test data drawn from a distribution different to that of the training data, constituting a major problem for AI safety. While this has recently motivated the development of methods to detect such out-of-distribution (OoD) inputs, a robust solution is still lacking. We propose a new probabilistic, unsupervised approach to this problem based on a Bayesian variational autoencoder model, which estimates a full posterior distribution over the decoder parameters using stochastic gradient Markov chain Monte Carlo, instead of fitting a point estimate. We describe how information-theoretic measures based on this posterior can then be used to detect OoD inputs both in input space and in the model's latent space. We empirically demonstrate the effectiveness of our proposed approach.

/pdf/bayesian-variational-autoencoders-for-unsupervised-out-of-g9ck5tvuim.pdf

Bayesian Variational Autoencoders for Unsupervised Out-of-Distribution Detection

In recent years a number of large-scale triple-oriented knowledge graphs have been generated and various models have been proposed to perform learning in those graphs. Most knowledge graphs are static and reflect the world in its current state. In reality, of course, the state of the world is changing: a healthy person becomes diagnosed with a disease and a new president is inaugurated. In this paper, we extend models for static knowledge graphs to temporal knowledge graphs. This enables us to store episodic data and to generalize to new facts (inductive learning). We generalize leading learning models for static knowledge graphs (i.e., Tucker, RESCAL, HolE, ComplEx, DistMult) to temporal knowledge graphs. In particular, we introduce a new tensor model, ConT, with superior generalization performance. The performances of all proposed models are analyzed on two different datasets: the Global Database of Events, Language, and Tone (GDELT) and the database for Integrated Conflict Early Warning System (ICEWS). We argue that temporal knowledge graph embeddings might be models also for cognitive episodic memory (facts we remember and can recollect) and that a semantic memory (current facts we know) can be generated from episodic memory by a marginalization operation. We validate this episodic-to-semantic projection hypothesis with the ICEWS dataset.

Erik Daxberger

Papers

Sample-Efficient Optimization in the Latent Space of Deep Generative Models via Weighted Retraining

Embedding models for episodic knowledge graphs

Distributed Batch Gaussian Process Optimization

Bayesian Variational Autoencoders for Unsupervised Out-of-Distribution Detection

Embedding Models for Episodic Knowledge Graphs