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We present a case study investigating feature descriptors in the context of the analysis of chemical multivariate ensemble data. The data of each ensemble member consists of three parts: the design parameters for each ensemble member, field data resulting from the numerical simulations, and physical properties of the molecules. Since feature-based methods have the potential to reduce the data complexity and facilitate comparison and clustering, we are focusing on such methods. However, there are many options to design the feature vector representation and there is no obvious preference. To get a better understanding of the different representations, we analyze their similarities and differences. Thereby, we focus on three characteristics derived from the representations: the distribution of pairwise distances, the clustering tendency, and the rank-order of the pairwise distances. The results of our investigations partially confirmed expected behavior, but also provided some surprising observations that can be used for the future development of feature representations in the chemical domain.

Monitoring and managing Earth's forests in an informed manner is an important requirement for addressing challenges like biodiversity loss and climate change. While traditional in situ or aerial campaigns for forest assessments provide accurate data for analysis at regional level, scaling them to entire countries and beyond with high temporal resolution is hardly possible. In this work, we propose a method based on deep ensembles that densely estimates forest structure variables at country-scale with 10-meter resolution, using freely available satellite imagery as input. Our method jointly transforms Sentinel-2 optical images and Sentinel-1 synthetic-aperture radar images into maps of five different forest structure variables: 95th height percentile, mean height, density, Gini coefficient, and fractional cover. We train and test our model on reference data from 41 airborne laser scanning missions across Norway and demonstrate that it is able to generalize to unseen test regions, achieving normalized mean absolute errors between 11% and 15%, depending on the variable. Our work is also the first to propose a variant of so-called Bayesian deep learning to densely predict multiple forest structure variables with well-calibrated uncertainty estimates from satellite imagery. The uncertainty information increases the trustworthiness of the model and its suitability for downstream tasks that require reliable confidence estimates as a basis for decision making. We present an extensive set of experiments to validate the accuracy of the predicted maps as well as the quality of the predicted uncertainties. To demonstrate scalability, we provide Norway-wide maps for the five forest structure variables.

The fractal nature of complex networks has received a great deal of research interest in the last two decades. Similarly to geometric fractals, the fractality of networks can also be defined with the so-called box-covering method. A network is called fractal if the minimum number of boxes needed to cover the entire network follows a power-law relation with the size of the boxes. The fractality of networks has been associated with various network properties throughout the years, for example, disassortativity, repulsion between hubs, long-range-repulsive correlation, and small edge betweenness centralities. However, these assertions are usually based on tailor-made network models and on a small number of real networks, hence their ubiquity is often disputed. Since fractal networks have been shown to have important properties, such as robustness against intentional attacks, it is in dire need to uncover the underlying mechanisms causing fractality. Hence, the main goal of this work is to get a better understanding of the origins of fractality in complex networks. To this end, we systematically review the previous results on the relationship between various network characteristics and fractality. Moreover, we perform a comprehensive analysis of these relations on five network models and a large number of real-world networks originating from six domains. We clarify which characteristics are universally present in fractal networks and which features are just artifacts or coincidences.

We present a method for controlling a swarm using its spectral decomposition -- that is, by describing the set of trajectories of a swarm in terms of a spatial distribution throughout the operational domain -- guaranteeing scale invariance with respect to the number of agents both for computation and for the operator tasked with controlling the swarm. We use ergodic control, decentralized across the network, for implementation. In the DARPA OFFSET program field setting, we test this interface design for the operator using the STOMP interface -- the same interface used by Raytheon BBN throughout the duration of the OFFSET program. In these tests, we demonstrate that our approach is scale-invariant -- the user specification does not depend on the number of agents; it is persistent -- the specification remains active until the user specifies a new command; and it is real-time -- the user can interact with and interrupt the swarm at any time. Moreover, we show that the spectral/ergodic specification of swarm behavior degrades gracefully as the number of agents goes down, enabling the operator to maintain the same approach as agents become disabled or are added to the network. We demonstrate the scale-invariance and dynamic response of our system in a field relevant simulator on a variety of tactical scenarios with up to 50 agents. We also demonstrate the dynamic response of our system in the field with a smaller team of agents. Lastly, we make the code for our system available.

Missing data can lead to inefficiencies and biases in analyses, in particular when data are missing not at random (MNAR). It is thus vital to understand and correctly identify the missing data mechanism. Recovering missing values through a follow up sample allows researchers to conduct hypothesis tests for MNAR, which are not possible when using only the original incomplete data. Investigating how properties of these tests are affected by the follow up sample design is little explored in the literature. Our results provide comprehensive insight into the properties of one such test, based on the commonly used selection model framework. We determine conditions for recovery samples that allow the test to be applied appropriately and effectively, i.e. with known Type I error rates and optimized with respect to power. We thus provide an integrated framework for testing for the presence of MNAR and designing follow up samples in an efficient cost-effective way. The performance of our methodology is evaluated through simulation studies as well as on a real data sample.

Conflicts, like many social processes, are related events that span multiple scales in time, from the instantaneous to multi-year developments, and in space, from one neighborhood to continents. Yet, there is little systematic work on connecting the multiple scales, formal treatment of causality between events, and measures of uncertainty for how events are related to one another. We develop a method for extracting related chains of events that addresses these limitations with armed conflict. Our method explicitly accounts for an adjustable spatial and temporal scale of interaction for clustering individual events from a detailed data set, the Armed Conflict Event & Location Data Project. With it, we discover a mesoscale ranging from a week to a few months and from tens to a few hundred kilometers, where long-range correlations and nontrivial dynamics relating conflict events emerge. Importantly, clusters in the mesoscale, while extracted only from conflict statistics, are identifiable with causal mechanism cited in field studies. We leverage our technique to identify zones of causal interaction around conflict hotspots that naturally incorporate uncertainties. Thus, we show how a systematic, data-driven procedure extracts social objects for study, providing a scope for scrutinizing and predicting conflict amongst other processes.

This work studies networked agents cooperating to track a dynamical state of nature under partial information. The proposed algorithm is a distributed Bayesian filtering algorithm for finite-state hidden Markov models (HMMs). It can be used for sequential state estimation tasks, as well as for modeling opinion formation over social networks under dynamic environments. We show that the disagreement with the optimal centralized solution is asymptotically bounded for the class of geometrically ergodic state transition models, which includes rapidly changing models. We also derive recursions for calculating the probability of error and establish convergence under Gaussian observation models. Simulations are provided to illustrate the theory and to compare against alternative approaches.

Knowledge graph embedding (KGE) is a increasingly popular technique that aims to represent entities and relations of knowledge graphs into low-dimensional semantic spaces for a wide spectrum of applications such as link prediction, knowledge reasoning and knowledge completion. In this paper, we provide a systematic review of existing KGE techniques based on representation spaces. Particularly, we build a fine-grained classification to categorise the models based on three mathematical perspectives of the representation spaces: (1) Algebraic perspective, (2) Geometric perspective, and (3) Analytical perspective. We introduce the rigorous definitions of fundamental mathematical spaces before diving into KGE models and their mathematical properties. We further discuss different KGE methods over the three categories, as well as summarise how spatial advantages work over different embedding needs. By collating the experimental results from downstream tasks, we also explore the advantages of mathematical space in different scenarios and the reasons behind them. We further state some promising research directions from a representation space perspective, with which we hope to inspire researchers to design their KGE models as well as their related applications with more consideration of their mathematical space properties.

This paper focuses on the expected difference in borrower's repayment when there is a change in the lender's credit decisions. Classical estimators overlook the confounding effects and hence the estimation error can be magnificent. As such, we propose another approach to construct the estimators such that the error can be greatly reduced. The proposed estimators are shown to be unbiased, consistent, and robust through a combination of theoretical analysis and numerical testing. Moreover, we compare the power of estimating the causal quantities between the classical estimators and the proposed estimators. The comparison is tested across a wide range of models, including linear regression models, tree-based models, and neural network-based models, under different simulated datasets that exhibit different levels of causality, different degrees of nonlinearity, and different distributional properties. Most importantly, we apply our approaches to a large observational dataset provided by a global technology firm that operates in both the e-commerce and the lending business. We find that the relative reduction of estimation error is strikingly substantial if the causal effects are accounted for correctly.

This paper aims at revisiting Graph Convolutional Neural Networks by bridging the gap between spectral and spatial design of graph convolutions. We theoretically demonstrate some equivalence of the graph convolution process regardless it is designed in the spatial or the spectral domain. The obtained general framework allows to lead a spectral analysis of the most popular ConvGNNs, explaining their performance and showing their limits. Moreover, the proposed framework is used to design new convolutions in spectral domain with a custom frequency profile while applying them in the spatial domain. We also propose a generalization of the depthwise separable convolution framework for graph convolutional networks, what allows to decrease the total number of trainable parameters by keeping the capacity of the model. To the best of our knowledge, such a framework has never been used in the GNNs literature. Our proposals are evaluated on both transductive and inductive graph learning problems. Obtained results show the relevance of the proposed method and provide one of the first experimental evidence of transferability of spectral filter coefficients from one graph to another. Our source codes are publicly available at: //github.com/balcilar/Spectral-Designed-Graph-Convolutions