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We present a collection of tools automating the efficient computation of large sets of theory predictions for high-energy physics. Calculating predictions for different processes often require dedicated programs. These programs, however,…
Data imputation is a crucial task due to the widespread occurrence of missing data. Many methods adopt a two-step approach: initially crafting a preliminary imputation (the "draft") and then refining it to produce the final missing data…
Rice's theorem shows that nontrivial extensional properties of partial recursive functions are undecidable. For finite weighted Boolean optimization/CSP-style slices, a Rice-style structural analogue holds for tractability classification:…
Data augmentation, a technique in which a training set is expanded with class-preserving transformations, is ubiquitous in modern machine learning pipelines. In this paper, we seek to establish a theoretical framework for understanding data…
This paper is an invitation to the process systems engineering community to change the paradigm for process plants. The goal is to achieve much easier convergence while retaining accuracy on par with the rigorous models. Accurate plant…
Transformation Synchronization is the problem of recovering absolute transformations from a given set of pairwise relative motions. Despite its usefulness, the problem remains challenging due to the influences from noisy and outlier…
Lossy data transformations by definition lose information. Yet, in modern machine learning, methods like data pruning and lossy data augmentation can help improve generalization performance. We study this paradox using a solvable model of…
Accurate prediction of grape phenology is essential for timely vineyard management decisions, such as scheduling irrigation and fertilization, to maximize crop yield and quality. While traditional biophysical models calibrated on historical…
Grain boundaries, the two-dimensional (2D) defects between differently oriented crystals, control mechanical and transport properties of materials. Our fundamental understanding of grain boundaries is still incomplete even after nearly a…
Network topology inference is a prominent problem in Network Science. Most graph signal processing (GSP) efforts to date assume that the underlying network is known, and then analyze how the graph's algebraic and spectral characteristics…
Systematic microstructure design requires reliable thermodynamic descriptions of each and all microstructure elements. While such descriptions are well established for most bulk phases, thermodynamic assessment of crystal defects is…
Data is inherently dirty and there has been a sustained effort to come up with different approaches to clean it. A large class of data repair algorithms rely on data-quality rules and integrity constraints to detect and repair the data. A…
We introduce regular graph constraints and explore their decidability properties. The motivation for regular graph constraints is 1) type checking of changing types of objects in the presence of linked data structures, 2) shape analysis…
Graph Neural Networks (GNNs) are neural models that leverage the dependency structure in graphical data via message passing among the graph nodes. GNNs have emerged as pivotal architectures in analyzing graph-structured data, and their…
Topology identification and inference of processes evolving over graphs arise in timely applications involving brain, transportation, financial, power, as well as social and information networks. This chapter provides an overview of graph…
Graph Neural Networks (GNNs) have shown remarkable success across various scientific fields, yet their adoption in critical decision-making is often hindered by a lack of interpretability. Recently, intrinsically interpretable GNNs have…
Theory-guided machine learning has demonstrated that including authentic domain knowledge directly into model design improves performance, sample efficiency and out-of-distribution generalisation. Yet the process by which a formal domain…
Network topology inference is a cornerstone problem in statistical analyses of complex systems. In this context, the fresh look advocated here permeates benefits from convex optimization and graph signal processing, to identify the…
A data analysis pipeline is a structured sequence of steps that transforms raw data into meaningful insights by integrating multiple analysis algorithms. In many practical applications, analytical findings are obtained only after data pass…
A linear parameter must be consumed exactly once in the body of its function. When declaring resources such as file handles and manually managed memory as linear arguments, a linear type system can verify that these resources are used…