The problem of (point) forecasting $ \textit{univariate} $ time series is considered. Most approaches, ranging from traditional statistical methods to recent learning-based techniques with neural networks, directly operate on raw time series observations. As an extension, we study whether $\textit{local topological properties}$, as captured via persistent homology, can serve as a reliable signal that provides complementary information for learning to forecast. To this end, we propose $\textit{topological attention}$, which allows attending to local topological features within a time horizon of historical data. Our approach easily integrates into existing end-to-end trainable forecasting models, such as $\texttt{N-BEATS}$, and in combination with the latter exhibits state-of-the-art performance on the large-scale M4 benchmark dataset of 100,000 diverse time series from different domains. Ablation experiments, as well as a comparison to a broad range of forecasting methods in a setting where only a single time series is available for training, corroborate the beneficial nature of including local topological information through an attention mechanism.

Stochastic gradient Markov chain Monte Carlo (SGMCMC) is considered the gold standard for Bayesian inference in large-scale models, such as Bayesian neural networks. Since practitioners face speed versus accuracy tradeoffs in these models, variational inference (VI) is often the preferable option. Unfortunately, VI makes strong assumptions on both the factorization and functional form of the posterior. In this work, we propose a new non-parametric variational approximation that makes no assumptions about the approximate posterior's functional form and allows practitioners to specify the exact dependencies the algorithm should respect or break. The approach relies on a new Langevin-type algorithm that operates on a modified energy function, where parts of the latent variables are averaged over samples from earlier iterations of the Markov chain. This way, statistical dependencies can be broken in a controlled way, allowing the chain to mix faster. This scheme can be further modified in a ''dropout'' manner, leading to even more scalability. By implementing the scheme on a ResNet-20 architecture, we obtain better predictive likelihoods and larger effective sample sizes than full SGMCMC.

Machine learning algorithms such as random forests or xgboost are gaining more importance and are increasingly incorporated into production processes in order to enable comprehensive digitization and, if possible, automation of processes. Hyperparameters of these algorithms used have to be set appropriately, which can be referred to as hyperparameter tuning or optimization. Based on the concept of tunability, this article presents an overview of theoretical and practical results for popular machine learning algorithms. This overview is accompanied by an experimental analysis of 30 hyperparameters from six relevant machine learning algorithms. In particular, it provides (i) a survey of important hyperparameters, (ii) two parameter tuning studies, and (iii) one extensive global parameter tuning study, as well as (iv) a new way, based on consensus ranking, to analyze results from multiple algorithms. The R package mlr is used as a uniform interface to the machine learning models. The R package SPOT is used to perform the actual tuning (optimization). All additional code is provided together with this paper.

We consider non-convex stochastic optimization problems where the objective functions have super-linearly growing and discontinuous stochastic gradients. In such a setting, we provide a non-asymptotic analysis for the tamed unadjusted stochastic Langevin algorithm (TUSLA) introduced in Lovas et al. (2021). In particular, we establish non-asymptotic error bounds for the TUSLA algorithm in Wasserstein-1 and Wasserstein-2 distances. The latter result enables us to further derive non-asymptotic estimates for the expected excess risk. To illustrate the applicability of the main results, we consider an example from transfer learning with ReLU neural networks, which represents a key paradigm in machine learning. Numerical experiments are presented for the aforementioned example which supports our theoretical findings. Hence, in this setting, we demonstrate both theoretically and numerically that the TUSLA algorithm can solve the optimization problem involving neural networks with ReLU activation function. Besides, we provide simulation results for synthetic examples where popular algorithms, e.g. ADAM, AMSGrad, RMSProp, and (vanilla) SGD, may fail to find the minimizer of the objective functions due to the super-linear growth and the discontinuity of the corresponding stochastic gradient, while the TUSLA algorithm converges rapidly to the optimal solution.

High-dimensional simulation optimization is notoriously challenging. We propose a new sampling algorithm that converges to a global optimal solution and suffers minimally from the curse of dimensionality. The algorithm consists of two stages. First, we take samples following a sparse grid experimental design and approximate the response surface via kernel ridge regression with a Brownian field kernel. Second, we follow the expected improvement strategy -- with critical modifications that boost the algorithm's sample efficiency -- to iteratively sample from the next level of the sparse grid. Under mild conditions on the smoothness of the response surface and the simulation noise, we establish upper bounds on the convergence rate for both noise-free and noisy simulation samples. These upper bounds deteriorate only slightly in the dimension of the feasible set, and they can be improved if the objective function is known to be of a higher-order smoothness. Extensive numerical experiments demonstrate that the proposed algorithm dramatically outperforms typical alternatives in practice.

Time series of data arising across geophysical sciences, remote sensing, automatic control, and a variety of other scientific and engineering applications often reflect observations of an underlying dynamical system operating in a latent state-space. Estimating the evolution of this latent state from data is the central challenge of data assimilation (DA) [28, 39, 49, 68, 75]. However, in these and other applications, we often lack an accurate model of the underlying dynamics, and the dynamical model needs to be learned from the observations to perform DA. This paper introduces auto-differentiable ensemble Kalman filters (AD-EnKFs), a machine learning (ML) framework for the principled co-learning of states and dynamics. This framework enables learning in three core categories of unknown dynamics: (a) parametric dynamical models with unknown parameter values; (b) fully-unknown dynamics captured using neural network (NN) surrogate models; and (c) inaccurate or partially-known dynamical models that can be improved using NN corrections. AD-EnKFs are designed to scale to high-dimensional states, observations, and NN surrogate models. In order to describe the main idea behind the AD-EnKF framework, let us introduce briefly the problem of interest. Our setting will be formalized in §2 below.

Many areas of science make extensive use of computer simulators that implicitly encode likelihood functions of complex systems. Classical statistical methods are poorly suited for these so-called likelihood-free inference (LFI) settings, outside the asymptotic and low-dimensional regimes. Although new machine learning methods, such as normalizing flows, have revolutionized the sample efficiency and capacity of LFI methods, it remains an open question whether they produce reliable measures of uncertainty. This paper presents a statistical framework for LFI that unifies classical statistics with modern machine learning to: (1) efficiently construct frequentist confidence sets and hypothesis tests with finite-sample guarantees of nominal coverage (type I error control) and power; (2) provide practical diagnostics for assessing empirical coverage over the entire parameter space. We refer to our framework as likelihood-free frequentist inference (LF2I). Any method that estimates a test statistic, like the likelihood ratio, can be plugged into our framework to create valid confidence sets and compute diagnostics, without costly Monte Carlo samples at fixed parameter settings. In this work, we specifically study the power of two test statistics (ACORE and BFF), which, respectively, maximize versus integrate an odds function over the parameter space. Our study offers multifaceted perspectives on the challenges in LF2I.

AI in finance broadly refers to the applications of AI techniques in financial businesses. This area has been lasting for decades with both classic and modern AI techniques applied to increasingly broader areas of finance, economy and society. In contrast to either discussing the problems, aspects and opportunities of finance that have benefited from specific AI techniques and in particular some new-generation AI and data science (AIDS) areas or reviewing the progress of applying specific techniques to resolving certain financial problems, this review offers a comprehensive and dense roadmap of the overwhelming challenges, techniques and opportunities of AI research in finance over the past decades. The landscapes and challenges of financial businesses and data are firstly outlined, followed by a comprehensive categorization and a dense overview of the decades of AI research in finance. We then structure and illustrate the data-driven analytics and learning of financial businesses and data. The comparison, criticism and discussion of classic vs. modern AI techniques for finance are followed. Lastly, open issues and opportunities address future AI-empowered finance and finance-motivated AI research.

Maintaining long-term exploration ability remains one of the challenges of deep reinforcement learning (DRL). In practice, the reward shaping-based approaches are leveraged to provide intrinsic rewards for the agent to incentivize motivation. However, most existing IRS modules rely on attendant models or additional memory to record and analyze learning procedures, which leads to high computational complexity and low robustness. Moreover, they overemphasize the influence of a single state on exploration, which cannot evaluate the exploration performance from a global perspective. To tackle the problem, state entropy-based methods are proposed to encourage the agent to visit the state space more equitably. However, the estimation error and sample complexity are prohibitive when handling environments with high-dimensional observation. In this paper, we introduce a novel metric entitled Jain's fairness index (JFI) to replace the entropy regularizer, which requires no additional models or memory. In particular, JFI overcomes the vanishing intrinsic rewards problem and can be generalized into arbitrary tasks. Furthermore, we use a variational auto-encoder (VAE) model to capture the life-long novelty of states. Finally, the global JFI score and local state novelty are combined to form a multimodal intrinsic reward, controlling the exploration extent more precisely. Finally, extensive simulation results demonstrate that our multimodal reward shaping (MMRS) method can achieve higher performance in contrast to other benchmark schemes.

This paper presents Particle-based Object Manipulation (Prompt), a new approach to robot manipulation of novel objects ab initio, without prior object models or pre-training on a large object data set. The key element of Prompt is a particle-based object representation, in which each particle represents a point in the object, the local geometric, physical, and other features of the point, and also its relation with other particles. Like the model-based analytic approaches to manipulation, the particle representation enables the robot to reason about the object's geometry and dynamics in order to choose suitable manipulation actions. Like the data-driven approaches, the particle representation is learned online in real-time from visual sensor input, specifically, multi-view RGB images. The particle representation thus connects visual perception with robot control. Prompt combines the benefits of both model-based reasoning and data-driven learning. We show empirically that Prompt successfully handles a variety of everyday objects, some of which are transparent. It handles various manipulation tasks, including grasping, pushing, etc,. Our experiments also show that Prompt outperforms a state-of-the-art data-driven grasping method on the daily objects, even though it does not use any offline training data.