We introduce the Locally Linear Latent Variable Model (LL-LVM), a probabilistic model for non-linear manifold discovery that describes a joint distribution over observations, their manifold coordinates and locally linear maps conditioned on a set of neighbourhood relationships. The model allows straightforward variational optimisation of the posterior distribution on coordinates and locally linear maps from the latent space to the observation space given the data. Thus, the LL-LVM encapsulates the local-geometry preserving intuitions that underlie non-probabilistic methods such as locally linear embedding (LLE). Its probabilistic semantics make it easy to evaluate the quality of hypothesised neighbourhood relationships, select the intrinsic dimensionality of the manifold, construct out-of-sample extensions and to combine the manifold model with additional probabilistic models that capture the structure of coordinates within the manifold.

The understanding of the type of inhibitory interaction plays an important role in drug design. Therefore, researchers are interested to know whether a drug has competitive or non-competitive interaction to particular protein targets. Method: to analyze the interaction types we propose factorization method Macau which allows us to combine different measurement types into a single tensor together with proteins and compounds. The compounds are characterized by high dimensional 2D ECFP fingerprints. The novelty of the proposed method is that using a specially designed noise injection MCMC sampler it can incorporate high dimensional side information, i.e., millions of unique 2D ECFP compound features, even for large scale datasets of millions of compounds. Without the side information, in this case, the tensor factorization would be practically futile. Results: using public IC50 and Ki data from ChEMBL we trained a model from where we can identify the latent subspace separating the two measurement types (IC50 and Ki). The results suggest the proposed method can detect the competitive inhibitory activity between compounds and proteins.

We consider the problem of minimizing a sum of $n$ functions over a convex parameter set $\mathcal{C} \subset \mathbb{R}^p$ where $n\gg p\gg 1$. In this regime, algorithms which utilize sub-sampling techniques are known to be effective. In this paper, we use sub-sampling techniques together with low-rank approximation to design a new randomized batch algorithm which possesses comparable convergence rate to Newton's method, yet has much smaller per-iteration cost. The proposed algorithm is robust in terms of starting point and step size, and enjoys a composite convergence rate, namely, quadratic convergence at start and linear convergence when the iterate is close to the minimizer. We develop its theoretical analysis which also allows us to select near-optimal algorithm parameters. Our theoretical results can be used to obtain convergence rates of previously proposed sub-sampling based algorithms as well. We demonstrate how our results apply to well-known machine learning problems. Lastly, we evaluate the performance of our algorithm on several datasets under various scenarios.

The Support Vector Machine (SVM) has been used in a wide variety of classification problems. The original SVM uses the hinge loss function, which is non-differentiable and makes the problem difficult to solve in particular for regularized SVMs, such as with $\ell_1$-regularization. This paper considers the Huberized SVM (HSVM), which uses a differentiable approximation of the hinge loss function. We first explore the use of the Proximal Gradient (PG) method to solving binary-class HSVM (B-HSVM) and then generalize it to multi-class HSVM (M-HSVM). Under strong convexity assumptions, we show that our algorithm converges linearly. In addition, we give a finite convergence result about the support of the solution, based on which we further accelerate the algorithm by a two-stage method. We present extensive numerical experiments on both synthetic and real datasets which demonstrate the superiority of our methods over some state-of-the-art methods for both binary- and multi-class SVMs.

Olshausen and Field (OF) proposed that neural computations in the primary visual cortex (V1) can be partially modeled by sparse dictionary learning. By minimizing the regularized representation error they derived an online algorithm, which learns Gabor-filter receptive fields from a natural image ensemble in agreement with physiological experiments. Whereas the OF algorithm can be mapped onto the dynamics and synaptic plasticity in a single-layer neural network, the derived learning rule is nonlocal - the synaptic weight update depends on the activity of neurons other than just pre- and postsynaptic ones - and hence biologically implausible. Here, to overcome this problem, we derive sparse dictionary learning from a novel cost-function - a regularized error of the symmetric factorization of the input's similarity matrix. Our algorithm maps onto a neural network of the same architecture as OF but using only biologically plausible local learning rules. When trained on natural images our network learns Gabor-filter receptive fields and reproduces the correlation among synaptic weights hard-wired in the OF network. Therefore, online symmetric matrix factorization may serve as an algorithmic theory of neural computation.

The support vector machine (SVM) was originally designed for binary classifications. A lot of effort has been put to generalize the binary SVM to multiclass SVM (MSVM) which are more complex problems. Initially, MSVMs were solved by considering their dual formulations which are quadratic programs and can be solved by standard second-order methods. However, the duals of MSVMs with regularizers are usually more difficult to formulate and computationally very expensive to solve. This paper focuses on several regularized MSVMs and extends the alternating direction method of multiplier (ADMM) to these MSVMs. Using a splitting technique, all considered MSVMs are written as two-block convex programs, for which the ADMM has global convergence guarantees. Numerical experiments on synthetic and real data demonstrate the high efficiency and accuracy of our algorithms.

Automated sentiment analysis and opinion mining is a complex process concerning the extraction of useful subjective information from text. The explosion of user generated content on the Web, especially the fact that millions of users, on a daily basis, express their opinions on products and services to blogs, wikis, social networks, message boards, etc., render the reliable, automated export of sentiments and opinions from unstructured text crucial for several commercial applications. In this paper, we present a novel hybrid vectorization approach for textual resources that combines a weighted variant of the popular Word2Vec representation (based on Term Frequency-Inverse Document Frequency) representation and with a Bag- of-Words representation and a vector of lexicon-based sentiment values. The proposed text representation approach is assessed through the application of several machine learning classification algorithms on a dataset that is used extensively in literature for sentiment detection. The classification accuracy derived through the proposed hybrid vectorization approach is higher than when its individual components are used for text represenation, and comparable with state-of-the-art sentiment detection methodologies.

In this paper, we present a board game: Square War. The game definition of Square War is similar to the classic Chinese board game Go. Then we propose a mathematical problem of the game Square War. Finally, we show that the problem can be solved by using a method of mixed mathematics and computer science.

We present differentially private algorithms for the stochastic Multi-Armed Bandit (MAB) problem. This is a problem for applications such as adaptive clinical trials, experiment design, and user-targeted advertising where private information is connected to individual rewards. Our major contribution is to show that there exist $(\epsilon, \delta)$ differentially private variants of Upper Confidence Bound algorithms which have optimal regret, $O(\epsilon^{-1} + \log T)$. This is a significant improvement over previous results, which only achieve poly-log regret $O(\epsilon^{-2} \log^{2} T)$, because of our use of a novel interval-based mechanism. We also substantially improve the bounds of previous family of algorithms which use a continual release mechanism. Experiments clearly validate our theoretical bounds.

We introduce a model-free algorithm for learning in Markov decision processes with parameterized actions--discrete actions with continuous parameters. At each step the agent must select both which action to use and which parameters to use with that action. We introduce the Q-PAMDP algorithm for learning in these domains, show that it converges to a local optimum, and compare it to direct policy search in the goalscoring and Platform domains.