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Efficient optimization of topology and raster angle has shown unprecedented enhancements in the mechanical properties of 3D printed thermoplastic polymers. Topology optimization helps reduce the waste of raw material in the fabrication of 3D printed parts, thus decreasing production costs associated with manufacturing lighter structures. Fiber orientation plays an important role in increasing the stiffness of a structure. This paper develops and tests a new method for handling stress constraints in topology and fiber orientation optimization of 3D printed orthotropic structures. The stress constraints are coupled with an objective function that maximizes stiffness. This is accomplished by using the modified solid isotropic material with penalization method with the method of moving asymptotes as the optimizer. Each element has a fictitious density and an angle as the main design variables. To reduce the number of stress constraints and thus the computational cost, a new clustering strategy is employed in which the highest stresses in the principal material coordinates are grouped separately into two clusters using an adjusted $P$-norm. A detailed description of the formulation and sensitivity analysis is discussed. While we present an analysis of 2D structures in the numerical examples section, the method can also be used for 3D structures, as the formulation is generic. Our results show that this method can produce efficient structures suitable for 3D printing while avoiding stress concentrations.

Casimir preserving integrators for stochastic Lie-Poisson equations with Stratonovich noise are developed extending Runge-Kutta Munthe-Kaas methods. The underlying Lie-Poisson structure is preserved along stochastic trajectories. A related stochastic differential equation on the Lie algebra is derived. The solution of this differential equation updates the evolution of the Lie-Poisson dynamics by means of the exponential map. The constructed numerical method conserves Casimir-invariants exactly, which is important for long time integration. This is illustrated numerically for the case of the stochastic heavy top.

We study the problem of estimating precision matrices in multivariate Gaussian distributions where all partial correlations are nonnegative, also known as multivariate totally positive of order two ($\mathrm{MTP}_2$). Such models have received significant attention in recent years, primarily due to interesting properties, e.g., the maximum likelihood estimator exists with as few as two observations regardless of the underlying dimension. We formulate this problem as a weighted $\ell_1$-norm regularized Gaussian maximum likelihood estimation under $\mathrm{MTP}_2$ constraints. On this direction, we propose a novel projected Newton-like algorithm that incorporates a well-designed approximate Newton direction, which results in our algorithm having the same orders of computation and memory costs as those of first-order methods. We prove that the proposed projected Newton-like algorithm converges to the minimizer of the problem. We further show, both theoretically and experimentally, that the minimizer of our formulation using the weighted $\ell_1$-norm is able to recover the support of the underlying precision matrix correctly without requiring the incoherence condition present in $\ell_1$-norm based methods. Experiments involving synthetic and real-world data demonstrate that our proposed algorithm is significantly more efficient, from a computational time perspective, than the state-of-the-art methods. Finally, we apply our method in financial time-series data, which are well-known for displaying positive dependencies, where we observe a significant performance in terms of modularity value on the learned financial networks.

Stochastic gradient descent with momentum (SGDM) is the dominant algorithm in many optimization scenarios, including convex optimization instances and non-convex neural network training. Yet, in the stochastic setting, momentum interferes with gradient noise, often leading to specific step size and momentum choices in order to guarantee convergence, set aside acceleration. Proximal point methods, on the other hand, have gained much attention due to their numerical stability and elasticity against imperfect tuning. Their stochastic accelerated variants though have received limited attention: how momentum interacts with the stability of (stochastic) proximal point methods remains largely unstudied. To address this, we focus on the convergence and stability of the stochastic proximal point algorithm with momentum (SPPAM), and show that SPPAM allows a faster linear convergence rate compared to stochastic proximal point algorithm (SPPA) with a better contraction factor, under proper hyperparameter tuning. In terms of stability, we show that SPPAM depends on problem constants more favorably than SGDM, allowing a wider range of step size and momentum that lead to convergence.

In this paper, we formulate and study substructuring type algorithm for the Cahn-Hilliard (CH) equation, which was originally proposed to describe the phase separation phenomenon for binary melted alloy below the critical temperature and since then it has appeared in many fields ranging from tumour growth simulation, image processing, thin liquid films, population dynamics etc. Being a non-linear equation, it is important to develop robust numerical techniques to solve the CH equation. Here we present the formulation of Dirichlet-Neumann (DN) and Neumann-Neumann (NN) methods applied to CH equation and study their convergence behaviour. We consider the domain-decomposition based DN and NN methods in one and two space dimension for two subdomains and extend the study for multi-subdomain setting for NN method. We verify our findings with numerical results.

We consider the population Wasserstein barycenter problem for random probability measures supported on a finite set of points and generated by an online stream of data. This leads to a complicated stochastic optimization problem where the objective is given as an expectation of a function given as a solution to a random optimization problem. We employ the structure of the problem and obtain a convex-concave stochastic saddle-point reformulation of this problem. In the setting when the distribution of random probability measures is discrete, we propose a stochastic optimization algorithm and estimate its complexity. The second result, based on kernel methods, extends the previous one to the arbitrary distribution of random probability measures. Moreover, this new algorithm has a total complexity better than the Stochastic Approximation approach combined with the Sinkhorn algorithm in many cases. We also illustrate our developments by a series of numerical experiments.

Sampling methods (e.g., node-wise, layer-wise, or subgraph) has become an indispensable strategy to speed up training large-scale Graph Neural Networks (GNNs). However, existing sampling methods are mostly based on the graph structural information and ignore the dynamicity of optimization, which leads to high variance in estimating the stochastic gradients. The high variance issue can be very pronounced in extremely large graphs, where it results in slow convergence and poor generalization. In this paper, we theoretically analyze the variance of sampling methods and show that, due to the composite structure of empirical risk, the variance of any sampling method can be decomposed into \textit{embedding approximation variance} in the forward stage and \textit{stochastic gradient variance} in the backward stage that necessities mitigating both types of variance to obtain faster convergence rate. We propose a decoupled variance reduction strategy that employs (approximate) gradient information to adaptively sample nodes with minimal variance, and explicitly reduces the variance introduced by embedding approximation. We show theoretically and empirically that the proposed method, even with smaller mini-batch sizes, enjoys a faster convergence rate and entails a better generalization compared to the existing methods.

We consider the exploration-exploitation trade-off in reinforcement learning and we show that an agent imbued with a risk-seeking utility function is able to explore efficiently, as measured by regret. The parameter that controls how risk-seeking the agent is can be optimized exactly, or annealed according to a schedule. We call the resulting algorithm K-learning and show that the corresponding K-values are optimistic for the expected Q-values at each state-action pair. The K-values induce a natural Boltzmann exploration policy for which the `temperature' parameter is equal to the risk-seeking parameter. This policy achieves an expected regret bound of $\tilde O(L^{3/2} \sqrt{S A T})$, where $L$ is the time horizon, $S$ is the number of states, $A$ is the number of actions, and $T$ is the total number of elapsed time-steps. This bound is only a factor of $L$ larger than the established lower bound. K-learning can be interpreted as mirror descent in the policy space, and it is similar to other well-known methods in the literature, including Q-learning, soft-Q-learning, and maximum entropy policy gradient, and is closely related to optimism and count based exploration methods. K-learning is simple to implement, as it only requires adding a bonus to the reward at each state-action and then solving a Bellman equation. We conclude with a numerical example demonstrating that K-learning is competitive with other state-of-the-art algorithms in practice.

Stochastic gradient Markov chain Monte Carlo (SGMCMC) has become a popular method for scalable Bayesian inference. These methods are based on sampling a discrete-time approximation to a continuous time process, such as the Langevin diffusion. When applied to distributions defined on a constrained space, such as the simplex, the time-discretisation error can dominate when we are near the boundary of the space. We demonstrate that while current SGMCMC methods for the simplex perform well in certain cases, they struggle with sparse simplex spaces; when many of the components are close to zero. However, most popular large-scale applications of Bayesian inference on simplex spaces, such as network or topic models, are sparse. We argue that this poor performance is due to the biases of SGMCMC caused by the discretization error. To get around this, we propose the stochastic CIR process, which removes all discretization error and we prove that samples from the stochastic CIR process are asymptotically unbiased. Use of the stochastic CIR process within a SGMCMC algorithm is shown to give substantially better performance for a topic model and a Dirichlet process mixture model than existing SGMCMC approaches.

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.