Machine Learning is one of the most trending technologies available today. In this blog, you will learn about some of the most popular and widely used Machine Algorithms. However, let's first try to understand the meaning of Machine Learning and its algorithms. Machine Learning (ML) allows systems to gain knowledge from past information and experiences to improve their performance without being explicitly programmed. It uses Deep Learning and other advanced technologies in order to help the systems learn.

We consider causal discovery from time series using conditional independence (CI) based network learning algorithms such as the PC algorithm. The PC algorithm is divided into a skeleton phase where adjacencies are determined based on efficiently selected CI tests and subsequent phases where links are oriented utilizing the Markov and Faithfulness assumptions. Here we show that autocorrelation makes the PC algorithm much less reliable with very low adjacency and orientation detection rates and inflated false positives. We propose a new algorithm, called PCMCI$^+$ that extends the PCMCI method from [Runge et al., 2019b] to also include discovery of contemporaneous links. It separates the skeleton phase for lagged and contemporaneous conditioning sets and modifies the conditioning sets for the individual CI tests. We show that this algorithm now benefits from increasing autocorrelation and yields much more adjacency detection power and especially more orientation recall for contemporaneous links while controlling false positives and having much shorter runtimes. Numerical experiments indicate that the algorithm can be of considerable use in many application scenarios for dozens of variables and large time delays.

We investigate spatio-temporal event analysis using point processes. Inferring the dynamics of event sequences spatiotemporally has many practical applications including crime prediction, social media analysis, and traffic forecasting. In particular, we focus on spatio-temporal Hawkes processes that are commonly used due to their capability to capture excitations between event occurrences. We introduce a novel inference framework based on randomized transformations and gradient descent to learn the process. We replace the spatial kernel calculations by randomized Fourier feature-based transformations. The introduced randomization by this representation provides flexibility while modeling the spatial excitation between events. Moreover, the system described by the process is expressed within closed-form in terms of scalable matrix operations. During the optimization, we use maximum likelihood estimation approach and gradient descent while properly handling positivity and orthonormality constraints. The experiment results show the improvements achieved by the introduced method in terms of fitting capability in synthetic and real datasets with respect to the conventional inference methods in the spatio-temporal Hawkes process literature. We also analyze the triggering interactions between event types and how their dynamics change in space and time through the interpretation of learned parameters.

In this paper, as a study of reinforcement learning, we converge the Q function to unbounded rewards such as Gaussian distribution. From the central limit theorem, in some real-world applications it is natural to assume that rewards follow a Gaussian distribution , but existing proofs cannot guarantee convergence of the Q-function. Furthermore, in the distribution-type reinforcement learning and Bayesian reinforcement learning that have become popular in recent years, it is better to allow the reward to have a Gaussian distribution. Therefore, in this paper, we prove the convergence of the Q-function under the condition of $E[r(s,a)^2]<\infty$, which is much more relaxed than the existing research. Finally, as a bonus, a proof of the policy gradient theorem for distributed reinforcement learning is also posted.

Adversarial Machine Learning (AML) is emerging as a major field aimed at the protection of automated ML systems against security threats. The majority of work in this area has built upon a game-theoretic framework by modelling a conflict between an attacker and a defender. After reviewing game-theoretic approaches to AML, we discuss the benefits that a Bayesian Adversarial Risk Analysis perspective brings when defending ML based systems. A research agenda is included.

Approximate inference in probability models is a fundamental task in machine learning. Approximate inference provides powerful tools to Bayesian reasoning, decision making, and Bayesian deep learning. The main goal is to estimate the expectation of interested functions w.r.t. a target distribution. When it comes to high dimensional probability models and large datasets, efficient approximate inference becomes critically important. In this thesis, we propose a new framework for approximate inference, which combines the advantages of these three frameworks and overcomes their limitations. Our proposed four algorithms are motivated by the recent computational progress of Stein's method. Our proposed algorithms are applied to continuous and discrete distributions under the setting when the gradient information of the target distribution is available or unavailable. Theoretical analysis is provided to prove the convergence of our proposed algorithms. Our adaptive IS algorithm iteratively improves the importance proposal by functionally decreasing the KL divergence between the updated proposal and the target. When the gradient of the target is unavailable, our proposed sampling algorithm leverages the gradient of a surrogate model and corrects induced bias with importance weights, which significantly outperforms other gradient-free sampling algorithms. In addition, our theoretical results enable us to perform the goodness-of-fit test on discrete distributions. At the end of the thesis, we propose an importance-weighted method to efficiently aggregate local models in distributed learning with one-shot communication. Results on simulated and real datasets indicate the statistical efficiency and wide applicability of our algorithm.

Increasing the autonomy level of a robot hand to accomplish remote object manipulation tasks faster and easier is a new and promising topic in teleoperation. Such semi-autonomous telemanipulation, however, is very challenging due to the physical discrepancy between the human hand and the robot hand, along with the fine motion constraints required for the manipulation task. To overcome these challenges, the robot needs to learn how to assist the human operator in a preferred/intuitive way, which must provide effective assistance that the operator needs yet still accommodate human inputs, so the operator feels in control of the system (i.e., not counter-intuitive to the operator). Toward this goal, we develop novel data-driven approaches to stably learn what assistance is preferred from high data variance caused by the ambiguous nature of human operators. To avoid an extensive robot-specific training process, methods to transfer this assistance knowledge between different robot hands are discussed. Experiments were conducted to telemanipulate a cup for three principal tasks: usage, move, and handover by remotely controlling a 3-finger gripper and 2-finger gripper. Results demonstrated that the proposed model effectively learned the knowledge of preferred assistance, and knowledge transfer between robots allows this semi-autonomous telemanipulation strategy to be scaled up with less training efforts.

Deep energy-based models (EBMs) are very flexible in distribution parametrization but computationally challenging because of the intractable partition function. They are typically trained via maximum likelihood, using contrastive divergence to approximate the gradient of the KL divergence between data and model distribution. While KL divergence has many desirable properties, other f-divergences have shown advantages in training implicit density generative models such as generative adversarial networks. In this paper, we propose a general variational framework termed f-EBM to train EBMs using any desired f-divergence. We introduce a corresponding optimization algorithm and prove its local convergence property with non-linear dynamical systems theory. Experimental results demonstrate the superiority of f-EBM over contrastive divergence, as well as the benefits of training EBMs using f-divergences other than KL.

The identification of synthetic routes that end with a desired product has been an inherently time-consuming process that is largely dependent on expert knowledge regarding a limited fraction of the entire reaction space. At present, emerging machine-learning technologies are overturning the process of retrosynthetic planning. The objective of this study is to discover synthetic routes backwardly from a given desired molecule to commercially available compounds. The problem is reduced to a combinatorial optimization task with the solution space subject to the combinatorial complexity of all possible pairs of purchasable reactants. We address this issue within the framework of Bayesian inference and computation. The workflow consists of two steps: a deep neural network is trained that forwardly predicts a product of the given reactants with a high level of accuracy, following which this forward model is inverted into the backward one via Bayes' law of conditional probability. Using the backward model, a diverse set of highly probable reaction sequences ending with a given synthetic target is exhaustively explored using a Monte Carlo search algorithm. The Bayesian retrosynthesis algorithm could successfully rediscover 80.3% and 50.0% of known synthetic routes of single-step and two-step reactions within top-10 accuracy, respectively, thereby outperforming state-of-the-art algorithms in terms of the overall accuracy. Remarkably, the Monte Carlo method, which was specifically designed for the presence of diverse multiple routes, often revealed a ranked list of hundreds of reaction routes to the same synthetic target. We investigated the potential applicability of such diverse candidates based on expert knowledge from synthetic organic chemistry.

Variational inference techniques based on inducing variables provide an elegant framework for scalable posterior estimation in Gaussian process (GP) models. Most previous works treat the locations of the inducing variables, i.e. the inducing inputs, as variational hyperparameters, and these are then optimized together with GP covariance hyper-parameters. While some approaches point to the benefits of a Bayesian treatment of GP hyper-parameters, this has been largely overlooked for the inducing inputs. In this work, we show that treating both inducing locations and GP hyper-parameters in a Bayesian way, by inferring their full posterior, further significantly improves performance. Based on stochastic gradient Hamiltonian Monte Carlo, we develop a fully Bayesian approach to scalable GP and deep GP models, and demonstrate its competitive performance through an extensive experimental campaign across several regression and classification problems.