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AsaPy is a custom-made Python library designed to simplify and optimize the analysis of aerospace simulation data. Instead of introducing new methodologies, it excels in combining various established techniques, creating a unified,…
The rapid advancements in quantum computing necessitate a scientific and rigorous approach to the construction of a corresponding software ecosystem, a topic underexplored and primed for systematic investigation. This chapter takes an…
Reproducibility in research remains hindered by complex systems involving data, models, tools, and algorithms. Studies highlight a reproducibility crisis due to a lack of standardized reporting, code and data sharing, and rigorous…
\textsc{Quantum Package} is an open-source programming environment for quantum chemistry specially designed for wave function methods. Its main goal is the development of determinant-driven selected configuration interaction (sCI) methods…
The identification of synthetic routes that end with a desired product has been an inherently time-consuming process that is largely dependent on expert knowledge regarding a limited fraction of the entire reaction space. At present,…
Scientists are increasingly leveraging advances in instruments, automation, and collaborative tools to scale up their experiments and research goals, leading to new bursts of discovery. Various scientific disciplines, including…
This paper presents adaptive conformal selection (ACS), an interactive framework for model-free selection with guaranteed error control. Building on conformal selection (Jin and Cand\`es, 2023b), ACS generalizes the approach to support…
preCICE is a free/open-source coupling library. It enables creating partitioned multi-physics simulations by gluing together separate software packages. This paper summarizes the development efforts in preCICE of the past five years. During…
Several approaches are proposed to deal with the problem of the Automatic Schema Matching (ASM). The challenges and difficulties caused by the complexity and uncertainty characterizing both the process and the outcome of Schema Matching…
The rapid evolution of Cyber-Physical Systems (CPS) across various domains like mobility systems, networked control systems, sustainable manufacturing, smart power grids, and the Internet of Things necessitates innovative solutions that…
This paper presents the acados software package, a collection of solvers for fast embedded optimization intended for fast embedded applications. Its interfaces to higher-level languages make it useful for quickly designing an…
Quantum systems have started to emerge as a disruptive technology and enabling platforms - exploiting the principles of quantum mechanics - to achieve quantum supremacy in computing. Academic research, industrial projects (e.g., Amazon…
Self-adaptive software systems (SASS) are equipped with feedback loops to adapt autonomously to changes of the software or environment. In established fields, such as embedded software, sophisticated approaches have been developed to…
Knowledge representation and reasoning capacities are vital to cognitive robotics because they provide higher level cognitive functions for reasoning about actions, environments, goals, perception, etc. Although Answer Set Programming (ASP)…
The Attitude Determination and Control System is one of the critical boards of any satellite, specially the micro-satellites. The ADCS is the bridge linking sensors data to actuators by several computationally complex algorithms such as…
Software (SW) development is a labor intensive activity. Modern software projects generally have to deal with producing and managing large and complex software products. Developing such software has become an extremely challenging job not…
The Adaptive Poisson-Boltzmann Solver (APBS) software was developed to solve the equations of continuum electrostatics for large biomolecular assemblages that has provided impact in the study of a broad range of chemical, biological, and…
Solving computer-aided synthesis planning is essential for enabling fully automated, robot-assisted synthesis workflows and improving the efficiency of drug discovery. A key challenge, however, is bridging the gap between computational…
Large language models (LLMs) present intriguing opportunities to enhance user interaction with traditional algorithms and tools in real-world applications. An advanced planning system (APS) is a sophisticated software that leverages…
Machine learning training places immense demands on cluster networks, motivating specialized architectures and co-design with parallelization strategies. Recent designs incorporating optical circuit switches (OCSes) are promising, offering…