This paper revisits classical works of Rauch (1963, et al. 1965) and develops a novel method for maximum likelihood (ML) smoothing estimation from incomplete information/data of stochastic state-space systems. Score function and conditional observed information matrices of incomplete data are introduced and their distributional identities are established. Using these identities, the ML smoother $\widehat{x}_{k\vert n}^s =\argmax_{x_k} \log f(x_k,\widehat{x}_{k+1\vert n}^s, y_{0:n}\vert\theta)$, $k\leq n-1$, is presented. The result shows that the ML smoother gives an estimate of state $x_k$ with more adherence of loglikehood having less standard errors than that of the ML state estimator $\widehat{x}_k=\argmax_{x_k} \log f(x_k,y_{0:k}\vert\theta)$, with $\widehat{x}_{n\vert n}^s=\widehat{x}_n$. Recursive estimation is given in terms of an EM-gradient-particle algorithm which extends the work of \cite{Lange} for ML smoothing estimation. The algorithm has an explicit iteration update which lacks in (\cite{Ramadan}) EM-algorithm for smoothing. A sequential Monte Carlo method is developed for valuation of the score function and observed information matrices. A recursive equation for the covariance matrix of estimation error is developed to calculate the standard errors. In the case of linear systems, the method shows that the Rauch-Tung-Striebel (RTS) smoother is a fully efficient smoothing state-estimator whose covariance matrix coincides with the Cram\'er-Rao lower bound, the inverse of expected information matrix. Furthermore, the RTS smoother coincides with the Kalman filter having less covariance matrix. Numerical studies are performed, confirming the accuracy of the main results.

The maximum likelihood principle is a fundamental method of estimation for a large number of models in data science, machine learning, and artificial intelligence. It is applicable to a range of…

Representing a manifold of very high-dimensional data with generative models has been shown to be computationally efficient in practice. However, this requires that the data manifold admits a global parameterization. In order to represent manifolds of arbitrary topology, we propose to learn a mixture model of variational autoencoders. Here, every encoder-decoder pair represents one chart of a manifold. We propose a loss function for maximum likelihood estimation of the model weights and choose an architecture that provides us the analytical expression of the charts and of their inverses. Once the manifold is learned, we use it for solving inverse problems by minimizing a data fidelity term restricted to the learned manifold. To solve the arising minimization problem we propose a Riemannian gradient descent algorithm on the learned manifold. We demonstrate the performance of our method for low-dimensional toy examples as well as for deblurring and electrical impedance tomography on certain image manifolds.

Abstract--Machine learning methods strive to acquire a robust model during training that can generalize well to test samples, even under distribution shifts. However, these methods often suffer from a performance drop due to unknown test distributions. Test-time adaptation (TTA), an emerging paradigm, has the potential to adapt a pre-trained model to unlabeled data during testing, before making predictions. Recent progress in this paradigm highlights the significant benefits of utilizing unlabeled data for training self-adapted models prior to inference. In this survey, we divide TTA into several distinct categories, namely, test-time (source-free) domain adaptation, test-time batch adaptation, online test-time adaptation, and test-time prior adaptation. For each category, we provide a comprehensive taxonomy of advanced algorithms, followed by a discussion of different learning scenarios. Furthermore, we analyze relevant applications of TTA and discuss open challenges and promising areas for future research. However, when the test distribution (target) differs from the training distribution (source), we face the problem of distribution shifts. Such a shift poses significant challenges for machine learning systems deployed in the wild, such as images captured by different cameras [2], road scenes of different cities [3], and imaging devices in different hospitals [4]. In contrast, TTA only requires access to the pre-trained from one or multiple source domains that can generalize model from the source domain, making it a secure and well to any out-of-distribution target domain. Figure 1: test-time domain adaptation, test-time batch adaptation This survey primarily focuses on test-time adaptation (TTBA), and online test-time adaptation (OTTA). That is to say, test data. Additionally, DA typically necessitates access to the predictions of each mini-batch are independent of the both labeled data from the source domain and (unlabeled) predictions for the other mini-batches. Ran He is also with the School of Artificial Intelligence, University of Chinese Academy of Sciences. In this survey, we use the terms "test data" and "target data" Tieniu Tan is also with Nanjing University, China. DA methods rely on the existence of source applied to OTTA with the assumption of knowledge reuse.

Railway operations involve different types of entities (stations, trains, etc.), making the existing graph/network models with homogenous nodes (i.e., the same kind of nodes) incapable of capturing the interactions between the entities. This paper aims to develop a heterogeneous graph neural network (HetGNN) model, which can address different types of nodes (i.e., heterogeneous nodes), to investigate the train delay evolution on railway networks. To this end, a graph architecture combining the HetGNN model and the GraphSAGE homogeneous GNN (HomoGNN), called SAGE-Het, is proposed. The aim is to capture the interactions between trains, trains and stations, and stations and other stations on delay evolution based on different edges. In contrast to the traditional methods that require the inputs to have constant dimensions (e.g., in rectangular or grid-like arrays) or only allow homogeneous nodes in the graph, SAGE-Het allows for flexible inputs and heterogeneous nodes. The data from two sub-networks of the China railway network are applied to test the performance and robustness of the proposed SAGE-Het model. The experimental results show that SAGE-Het exhibits better performance than the existing delay prediction methods and some advanced HetGNNs used for other prediction tasks; the predictive performances of SAGE-Het under different prediction time horizons (10/20/30 min ahead) all outperform other baseline methods; Specifically, the influences of train interactions on delay propagation are investigated based on the proposed model. The results show that train interactions become subtle when the train headways increase . This finding directly contributes to decision-making in the situation where conflict-resolution or train-canceling actions are needed.

An additive manufacturing (AM) process, like laser powder bed fusion, allows for the fabrication of objects by spreading and melting powder in layers until a freeform part shape is created. In order to improve the properties of the material involved in the AM process, it is important to predict the material characterization property as a function of the processing conditions. In thermoelectric materials, the power factor is a measure of how efficiently the material can convert heat to electricity. While earlier works have predicted the material characterization properties of different thermoelectric materials using various techniques, implementation of machine learning models to predict the power factor of bismuth telluride (Bi2Te3) during the AM process has not been explored. This is important as Bi2Te3 is a standard material for low temperature applications. Thus, we used data about manufacturing processing parameters involved and in-situ sensor monitoring data collected during AM of Bi2Te3, to train different machine learning models in order to predict its thermoelectric power factor. We implemented supervised machine learning techniques using 80% training and 20% test data and further used the permutation feature importance method to identify important processing parameters and in-situ sensor features which were best at predicting power factor of the material. Ensemble-based methods like random forest, AdaBoost classifier, and bagging classifier performed the best in predicting power factor with the highest accuracy of 90% achieved by the bagging classifier model. Additionally, we found the top 15 processing parameters and in-situ sensor features to characterize the material manufacturing property like power factor. These features could further be optimized to maximize power factor of the thermoelectric material and improve the quality of the products built using this material.

Expectation-Maximization (EM) algorithm is a widely used iterative algorithm for computing (local) maximum likelihood estimate (MLE). It can be used in an extensive range of problems, including the clustering of data based on the Gaussian mixture model (GMM). Numerical instability and convergence problems may arise in situations where the sample size is not much larger than the data dimensionality. In such low sample support (LSS) settings, the covariance matrix update in the EM-GMM algorithm may become singular or poorly conditioned, causing the algorithm to crash. On the other hand, in many signal processing problems, a priori information can be available indicating certain structures for different cluster covariance matrices. In this paper, we present a regularized EM algorithm for GMM-s that can make efficient use of such prior knowledge as well as cope with LSS situations. The method aims to maximize a penalized GMM likelihood where regularized estimation may be used to ensure positive definiteness of covariance matrix updates and shrink the estimators towards some structured target covariance matrices. We show that the theoretical guarantees of convergence hold, leading to better performing EM algorithm for structured covariance matrix models or with low sample settings.

Driver process models play a central role in the testing, verification, and development of automated and autonomous vehicle technologies. Prior models developed from control theory and physics-based rules are limited in automated vehicle applications due to their restricted behavioral repertoire. Data-driven machine learning models are more capable than rule-based models but are limited by the need for large training datasets and their lack of interpretability, i.e., an understandable link between input data and output behaviors. We propose a novel car following modeling approach using active inference, which has comparable behavioral flexibility to data-driven models while maintaining interpretability. We assessed the proposed model, the Active Inference Driving Agent (AIDA), through a benchmark analysis against the rule-based Intelligent Driver Model, and two neural network Behavior Cloning models. The models were trained and tested on a real-world driving dataset using a consistent process. The testing results showed that the AIDA predicted driving controls significantly better than the rule-based Intelligent Driver Model and had similar accuracy to the data-driven neural network models in three out of four evaluations. Subsequent interpretability analyses illustrated that the AIDA's learned distributions were consistent with driver behavior theory and that visualizations of the distributions could be used to directly comprehend the model's decision making process and correct model errors attributable to limited training data. The results indicate that the AIDA is a promising alternative to black-box data-driven models and suggest a need for further research focused on modeling driving style and model training with more diverse datasets.

Energetic materials (EM) cover a wide spectrum of propellants, pyrotechnics, and explosives and are key components in military applications for propulsion and munition systems and in civilian applications such as construction and mining [1]. Heterogenous/composite EMs have complex microstructures which significantly influence--along with chemistry--the property and performance of these materials [2-8]. There is increasing research interest in controlling the microstructure of EM, to engineer their properties and performance for targeted functional specificity [9-10]. EMs are typically solid-solid composites of organic energetic crystals (commonly CHNO compounds), inclusions (i.e., metals, nanoparticles), and plastic binders. The CHNO materials are commonly categorized based on how sensitive they are to an external load/mechanical insult. They can range f rom'insensitive' (such as TATB - based EMs [11]) to'highly sensitive' (PETN-based EMs [12-13]) with others such as HMX, CL-20, and RDX ranging in between [14]. The sensitivity is closely connected with the molecular structure of these species of EMs within the CHNO family. However, when they are formed into propellants and explosives, the sensitivity is also impacted by the physical structure, composition, and formulation of the material mixtures, as reviewed by Handley et al. [1]. In other words, the design of a mixture and its microstructure can define the overall properties and performance characteristics of formed EM, thus opening the possibility of systematic methods to engineer materials by their design.

The growth of market capitalisation and the number of altcoins (cryptocurrencies other than Bitcoin) provide investment opportunities and complicate the prediction of their price movements. A significant challenge in this volatile and relatively immature market is the problem of predicting cryptocurrency prices which needs to identify the factors influencing these prices. The focus of this study is to investigate the factors influencing altcoin prices, and these factors have been investigated from a causal analysis perspective using Bayesian networks. In particular, studying the nature of interactions between five leading altcoins, traditional financial assets including gold, oil, and S\&P 500, and social media is the research question. To provide an answer to the question, we create causal networks which are built from the historic price data of five traditional financial assets, social media data, and price data of altcoins. The ensuing networks are used for causal reasoning and diagnosis, and the results indicate that social media (in particular Twitter data in this study) is the most significant influencing factor of the prices of altcoins. Furthermore, it is not possible to generalise the coins' reactions against the changes in the factors. Consequently, the coins need to be studied separately for a particular price movement investigation.