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The design space (DS) is defined as the combination of materials and process conditions that guarantees the assurance of quality. This principle ensures that as long as a process operates within DS, it consistently produces a product that meets specifications. A novel DS identification method called the R-DS identifier has been developed. It makes no assumptions about the underlying model - the only requirement is that each model constraint (CQA) should be approximated by a multivariate polynomial model. The method utilizes the methodology of Rvachev's R-functions and allows for explicit analytical representation of the DS with only a limited number of model runs. R-functions provide a framework for representing complex geometric shapes and performing operations on them through implicit functions. The theory of R-functions enables the solution of geometric problem such as identification of DS through algebraic manipulation. It is more practical than traditional sampling or optimization-based methods. The method is illustrated using a batch reactor system.

We formulate three generalized Bayesian models for analyzing interrater and intrarater reliability in the presence of multilevel data. Stan implementations of these models provide new estimates of interrater and intrarater reliability. We also derive formulas for calculating marginal correlations under each of the three models. Comparisons of the kappa estimates and marginal correlations across the different models are presented from two real-world datasets. Simulations demonstrate properties of the different measures of agreement under different model assumptions.

Hidden Markov models (HMM) have been widely used by scientists to model stochastic systems: the underlying process is a discrete Markov chain and the observations are noisy realizations of the underlying process. Determining the number of hidden states for an HMM is a model selection problem, which is yet to be satisfactorily solved, especially for the popular Gaussian HMM with heterogeneous covariance. In this paper, we propose a consistent method for determining the number of hidden states of HMM based on the marginal likelihood, which is obtained by integrating out both the parameters and hidden states. Moreover, we show that the model selection problem of HMM includes the order selection problem of finite mixture models as a special case. We give rigorous proof of the consistency of the proposed marginal likelihood method and provide an efficient computation method for practical implementation. We numerically compare the proposed method with the Bayesian information criterion (BIC), demonstrating the effectiveness of the proposed marginal likelihood method.

Distribution shifts between training and test data are all but inevitable over the lifecycle of a deployed model and lead to performance decay. Adapting the model can hopefully mitigate this drop in performance. Yet, adaptation is challenging since it must be unsupervised: we usually do not have access to any labeled data at test time. In this paper, we propose a probabilistic state-space model that can adapt a deployed model subjected to distribution drift. Our model learns the dynamics induced by distribution shifts on the last set of hidden features. Without requiring labels, we infer time-evolving class prototypes that serve as a dynamic classification head. Moreover, our approach is lightweight, modifying only the model's last linear layer. In experiments on real-world distribution shifts and synthetic corruptions, we demonstrate that our approach performs competitively with methods that require back-propagation and access to the model backbone. Our model especially excels in the case of small test batches - the most difficult setting.

Motivated by the need to analyze large, decentralized datasets, distributed Bayesian inference has become a critical research area across multiple fields, including statistics, electrical engineering, and economics. This paper establishes Frequentist properties, such as posterior consistency, asymptotic normality, and posterior contraction rates, for the distributed (non-)Bayes Inference problem among agents connected via a communication network. Our results show that, under appropriate assumptions on the communication graph, distributed Bayesian inference retains parametric efficiency while enhancing robustness in uncertainty quantification. We also explore the trade-off between statistical efficiency and communication efficiency by examining how the design and size of the communication graph impact the posterior contraction rate. Furthermore, We extend our analysis to time-varying graphs and apply our results to exponential family models, distributed logistic regression, and decentralized detection models.

Modern applications are increasingly driven by Machine Learning (ML) models whose non-deterministic behavior is affecting the entire application life cycle from design to operation. The pervasive adoption of ML is urgently calling for approaches that guarantee a stable non-functional behavior of ML-based applications over time and across model changes. To this aim, non-functional properties of ML models, such as privacy, confidentiality, fairness, and explainability, must be monitored, verified, and maintained. Existing approaches mostly focus on i) implementing solutions for classifier selection according to the functional behavior of ML models, ii) finding new algorithmic solutions, such as continuous re-training. In this paper, we propose a multi-model approach that aims to guarantee a stable non-functional behavior of ML-based applications. An architectural and methodological approach is provided to compare multiple ML models showing similar non-functional properties and select the model supporting stable non-functional behavior over time according to (dynamic and unpredictable) contextual changes. Our approach goes beyond the state of the art by providing a solution that continuously guarantees a stable non-functional behavior of ML-based applications, is ML algorithm-agnostic, and is driven by non-functional properties assessed on the ML models themselves. It consists of a two-step process working during application operation, where model assessment verifies non-functional properties of ML models trained and selected at development time, and model substitution guarantees continuous and stable support of non-functional properties. We experimentally evaluate our solution in a real-world scenario focusing on non-functional property fairness.

The success of AI models relies on the availability of large, diverse, and high-quality datasets, which can be challenging to obtain due to data scarcity, privacy concerns, and high costs. Synthetic data has emerged as a promising solution by generating artificial data that mimics real-world patterns. This paper provides an overview of synthetic data research, discussing its applications, challenges, and future directions. We present empirical evidence from prior art to demonstrate its effectiveness and highlight the importance of ensuring its factuality, fidelity, and unbiasedness. We emphasize the need for responsible use of synthetic data to build more powerful, inclusive, and trustworthy language models.

Agent-based modeling and simulation has evolved as a powerful tool for modeling complex systems, offering insights into emergent behaviors and interactions among diverse agents. Integrating large language models into agent-based modeling and simulation presents a promising avenue for enhancing simulation capabilities. This paper surveys the landscape of utilizing large language models in agent-based modeling and simulation, examining their challenges and promising future directions. In this survey, since this is an interdisciplinary field, we first introduce the background of agent-based modeling and simulation and large language model-empowered agents. We then discuss the motivation for applying large language models to agent-based simulation and systematically analyze the challenges in environment perception, human alignment, action generation, and evaluation. Most importantly, we provide a comprehensive overview of the recent works of large language model-empowered agent-based modeling and simulation in multiple scenarios, which can be divided into four domains: cyber, physical, social, and hybrid, covering simulation of both real-world and virtual environments. Finally, since this area is new and quickly evolving, we discuss the open problems and promising future directions.

In pace with developments in the research field of artificial intelligence, knowledge graphs (KGs) have attracted a surge of interest from both academia and industry. As a representation of semantic relations between entities, KGs have proven to be particularly relevant for natural language processing (NLP), experiencing a rapid spread and wide adoption within recent years. Given the increasing amount of research work in this area, several KG-related approaches have been surveyed in the NLP research community. However, a comprehensive study that categorizes established topics and reviews the maturity of individual research streams remains absent to this day. Contributing to closing this gap, we systematically analyzed 507 papers from the literature on KGs in NLP. Our survey encompasses a multifaceted review of tasks, research types, and contributions. As a result, we present a structured overview of the research landscape, provide a taxonomy of tasks, summarize our findings, and highlight directions for future work.

Dynamic programming (DP) solves a variety of structured combinatorial problems by iteratively breaking them down into smaller subproblems. In spite of their versatility, DP algorithms are usually non-differentiable, which hampers their use as a layer in neural networks trained by backpropagation. To address this issue, we propose to smooth the max operator in the dynamic programming recursion, using a strongly convex regularizer. This allows to relax both the optimal value and solution of the original combinatorial problem, and turns a broad class of DP algorithms into differentiable operators. Theoretically, we provide a new probabilistic perspective on backpropagating through these DP operators, and relate them to inference in graphical models. We derive two particular instantiations of our framework, a smoothed Viterbi algorithm for sequence prediction and a smoothed DTW algorithm for time-series alignment. We showcase these instantiations on two structured prediction tasks and on structured and sparse attention for neural machine translation.