Estimating the structure of directed acyclic graphs (DAGs) of features (variables) plays a vital role in revealing the latent data generation process and providing causal insights in various applications. Although there have been many studies on structure learning with various types of data, the structure learning on the dynamic graph has not been explored yet, and thus we study the learning problem of node feature generation mechanism on such ubiquitous dynamic graph data. In a dynamic graph, we propose to simultaneously estimate contemporaneous relationships and time-lagged interaction relationships between the node features. These two kinds of relationships form a DAG, which could effectively characterize the feature generation process in a concise way. To learn such a DAG, we cast the learning problem as a continuous score-based optimization problem, which consists of a differentiable score function to measure the validity of the learned DAGs and a smooth acyclicity constraint to ensure the acyclicity of the learned DAGs. These two components are translated into an unconstraint augmented Lagrangian objective which could be minimized by mature continuous optimization techniques. The resulting algorithm, named GraphNOTEARS, outperforms baselines on simulated data across a wide range of settings that may encounter in real-world applications. We also apply the proposed approach on two dynamic graphs constructed from the real-world Yelp dataset, demonstrating our method could learn the connections between node features, which conforms with the domain knowledge.

Media bias can significantly impact the formation and development of opinions and sentiments in a population. It is thus important to study the emergence and development of partisan media and political polarization. However, it is challenging to quantitatively infer the ideological positions of media outlets. In this paper, we present a quantitative framework to infer both political bias and content quality of media outlets from text, and we illustrate this framework with empirical experiments with real-world data. We apply a bidirectional long short-term memory (LSTM) neural network to a data set of more than 1 million tweets to generate a two-dimensional ideological-bias and content-quality measurement for each tweet. We then infer a ``media-bias chart'' of (bias, quality) coordinates for the media outlets by integrating the (bias, quality) measurements of the tweets of the media outlets. We also apply a variety of baseline machine-learning methods, such as a naive-Bayes method and a support-vector machine (SVM), to infer the bias and quality values for each tweet. All of these baseline approaches are based on a bag-of-words approach. We find that the LSTM-network approach has the best performance of the examined methods. Our results illustrate the importance of leveraging word order into machine-learning methods in text analysis.

Surrogate models have shown to be an extremely efficient aid in solving engineering problems that require repeated evaluations of an expensive computational model. They are built by sparsely evaluating the costly original model and have provided a way to solve otherwise intractable problems. A crucial aspect in surrogate modelling is the assumption of smoothness and regularity of the model to approximate. This assumption is however not always met in reality. For instance in civil or mechanical engineering, some models may present discontinuities or non-smoothness, e.g., in case of instability patterns such as buckling or snap-through. Building a single surrogate model capable of accounting for these fundamentally different behaviors or discontinuities is not an easy task. In this paper, we propose a three-stage approach for the approximation of non-smooth functions which combines clustering, classification and regression. The idea is to split the space following the localized behaviors or regimes of the system and build local surrogates that are eventually assembled. A sequence of well-known machine learning techniques are used: Dirichlet process mixtures models (DPMM), support vector machines and Gaussian process modelling. The approach is tested and validated on two analytical functions and a finite element model of a tensile membrane structure.

The rise of AI methods to make predictions and decisions has led to a pressing need for more explainable artificial intelligence (XAI) methods. One common approach for XAI is to produce a post-hoc explanation, explaining why a black box ML model made a certain prediction. Formal approaches to post-hoc explanations provide succinct reasons for why a prediction was made, as well as why not another prediction was made. But these approaches assume that features are independent and uniformly distributed. While this means that "why" explanations are correct, they may be longer than required. It also means the "why not" explanations may be suspect as the counterexamples they rely on may not be meaningful. In this paper, we show how one can apply background knowledge to give more succinct "why" formal explanations, that are presumably easier to interpret by humans, and give more accurate "why not" explanations. In addition, we show how to use existing rule induction techniques to efficiently extract background information from a dataset, and also how to report which background information was used to make an explanation, allowing a human to examine it if they doubt the correctness of the explanation.

An influence diagram is a graphical model of a Bayesian decision problem that is solved by finding a strategy that maximizes expected utility. When an influence diagram is solved by variable elimination or a related dynamic programming algorithm, it is traditional to represent a strategy as a sequence of policies, one for each decision variable, where a policy maps the relevant history for a decision to an action. We propose an alternative representation of a strategy as a graph, called a strategy graph, and show how to modify a variable elimination algorithm so that it constructs a strategy graph. We consider both a classic variable elimination algorithm for influence diagrams and a recent extension of this algorithm that has more relaxed constraints on elimination order that allow improved performance. We consider the advantages of representing a strategy as a graph and, in particular, how to simplify a strategy graph so that it is easier to interpret and analyze.

The prediction of protein structures from sequences is an important task for function prediction, drug design, and related biological processes understanding. Recent advances have proved the power of language models (LMs) in processing the protein sequence databases, which inherit the advantages of attention networks and capture useful information in learning representations for proteins. The past two years have witnessed remarkable success in tertiary protein structure prediction (PSP), including evolution-based and single-sequence-based PSP. It seems that instead of using energy-based models and sampling procedures, protein language model (pLM)-based pipelines have emerged as mainstream paradigms in PSP. Despite the fruitful progress, the PSP community needs a systematic and up-to-date survey to help bridge the gap between LMs in the natural language processing (NLP) and PSP domains and introduce their methodologies, advancements and practical applications. To this end, in this paper, we first introduce the similarities between protein and human languages that allow LMs extended to pLMs, and applied to protein databases. Then, we systematically review recent advances in LMs and pLMs from the perspectives of network architectures, pre-training strategies, applications, and commonly-used protein databases. Next, different types of methods for PSP are discussed, particularly how the pLM-based architectures function in the process of protein folding. Finally, we identify challenges faced by the PSP community and foresee promising research directions along with the advances of pLMs. This survey aims to be a hands-on guide for researchers to understand PSP methods, develop pLMs and tackle challenging problems in this field for practical purposes.

A reliable pose estimator robust to environmental disturbances is desirable for mobile robots. To this end, inertial measurement units (IMUs) play an important role because they can perceive the full motion state of the vehicle independently. However, it suffers from accumulative error due to inherent noise and bias instability, especially for low-cost sensors. In our previous studies on Wheel-INS \cite{niu2021, wu2021}, we proposed to limit the error drift of the pure inertial navigation system (INS) by mounting an IMU to the wheel of the robot to take advantage of rotation modulation. However, Wheel-INS still drifted over a long period of time due to the lack of external correction signals. In this letter, we propose to exploit the environmental perception ability of Wheel-INS to achieve simultaneous localization and mapping (SLAM) with only one IMU. To be specific, we use the road bank angles (mirrored by the robot roll angles estimated by Wheel-INS) as terrain features to enable the loop closure with a Rao-Blackwellized particle filter. The road bank angle is sampled and stored according to the robot position in the grid maps maintained by the particles. The weights of the particles are updated according to the difference between the currently estimated roll sequence and the terrain map. Field experiments suggest the feasibility of the idea to perform SLAM in Wheel-INS using the robot roll angle estimates. In addition, the positioning accuracy is improved significantly (more than 30\%) over Wheel-INS. The source code of our implementation is publicly available (https://github.com/i2Nav-WHU/Wheel-SLAM).

Predictive monitoring is a subfield of process mining that aims to predict how a running case will unfold in the future. One of its main challenges is forecasting the sequence of activities that will occur from a given point in time -- suffix prediction -- . Most approaches to the suffix prediction problem learn to predict the suffix by learning how to predict the next activity only, not learning from the whole suffix during the training phase. This paper proposes a novel architecture based on an encoder-decoder model with an attention mechanism that decouples the representation learning of the prefixes from the inference phase, predicting only the activities of the suffix. During the inference phase, this architecture is extended with a heuristic search algorithm that improves the selection of the activity for each index of the suffix. Our approach has been tested using 12 public event logs against 6 different state-of-the-art proposals, showing that it significantly outperforms these proposals.

Temporal exponential random graph models (TERGM) are powerful statistical models that can be used to infer the temporal pattern of edge formation and elimination in complex networks (e.g., social networks). TERGMs can also be used in a generative capacity to predict longitudinal time series data in these evolving graphs. However, parameter estimation within this framework fails to capture many real-world properties of social networks, including: triadic relationships, small world characteristics, and social learning theories which could be used to constrain the probabilistic estimation of dyadic covariates. Here, we propose triadic temporal exponential random graph models (TTERGM) to fill this void, which includes these hierarchical network relationships within the graph model. We represent social network learning theory as an additional probability distribution that optimizes Markov chains in the graph vector space. The new parameters are then approximated via Monte Carlo maximum likelihood estimation. We show that our TTERGM model achieves improved fidelity and more accurate predictions compared to several benchmark methods on GitHub network data.

Analyzing the behavior of complex interdependent networks requires complete information about the network topology and the interdependent links across networks. For many applications such as critical infrastructure systems, understanding network interdependencies is crucial to anticipate cascading failures and plan for disruptions. However, data on the topology of individual networks are often publicly unavailable due to privacy and security concerns. Additionally, interdependent links are often only revealed in the aftermath of a disruption as a result of cascading failures. We propose a scalable nonparametric Bayesian approach to reconstruct the topology of interdependent infrastructure networks from observations of cascading failures. Metropolis-Hastings algorithm coupled with the infrastructure-dependent proposal are employed to increase the efficiency of sampling possible graphs. Results of reconstructing a synthetic system of interdependent infrastructure networks demonstrate that the proposed approach outperforms existing methods in both accuracy and computational time. We further apply this approach to reconstruct the topology of one synthetic and two real-world systems of interdependent infrastructure networks, including gas-power-water networks in Shelby County, TN, USA, and an interdependent system of power-water networks in Italy, to demonstrate the general applicability of the approach.