24 papers · ranked by Valyu relevance
Freddy Kamdem Simo, Dominique Ernadote, Dominique Lenné
In a Systems Engineering setting, various models are produced using a variety of methods and tools. Focusing on a type of models – called descriptive models – which we shall describe, we argue that, while the clarity and precision of models are essential for their exchange and reuse, the way in which the data of these…
Marco Maurizi, Chao Gao, Filippo Berto
Developing accurate yet fast computational tools to simulate complex physical phenomena is a long-standing problem. Recent advances in machine learning have revolutionized the way simulations are approached, shifting from a purely physics- to AI-based paradigm. Although impressive achievements have been reached…
Authors not listed
Metal–organic frameworks (MOFs) represent a versatile class of porous materials, yet efficiently exploring their vast chemical space for target gas adsorption properties remains a major challenge. MOFid, a text-based encoding of MOF structures, has enabled large-scale data mining using natural language processing (NLP)…
Daniel S. Brennan, Julian Gosliga, Paul Gardner, Robin S. Mills + 1 more
'Keith Worden'] One of the major obstacles to the widespread uptake of data-based Structural Health Monitoring so far, has been the lack of damage-state data for the (mostly high-value) structures of interest. To address this issue, a methodology for sharing data and models between structures has been…
Sabah Al‐Fedaghi
- Conceptual models as representations of realworld systems are based on diverse techniques in various disciplines but lack a framework that provides multidisciplinary ontological understanding of real-world phenomena. Concurrently, systems' complexity has intensified, leading to a rise in developing models using…
Giacomo Janson, Alessandro Grottesi, Marco Pietrosanto, Gabriele Ausiello + 2 more
The most frequently used approach for protein structure prediction is currently homology modeling. The 3D model building phase of this methodology is critical for obtaining an accurate and biologically useful prediction. The most widely employed tool to perform this task is MODELLER. This program implements the…
Lucy H. Brunt, Karen A. Roddy, Emily J. Rayfield, Chrissy L. Hammond
Skeletal morphogenesis occurs through tightly regulated cell behaviors during development; many cell types alter their behavior in response to mechanical strain. Skeletal joints are subjected to dynamic mechanical loading. Finite element analysis (FEA) is a computational method, frequently used in engineering that can…
Marius-Constantin Ilau, Tristan Caulfield, David Pym
The nature of information security has been, and probably will continue to be, marked by the asymmetric competition of attackers and defenders over the control of an uncertain environment. The reduction of this degree of uncertainty via an increase in understanding of that environment is a primary objective for both…
Authors not listed
Accelerating computational materials science relies not only on hardware advances but also on software that increases the ease of working with the relevant abstractions. Creation and manipulation of crystal structures is a part of many routine materials science workflows. In this work, we demonstrate how fine tuning…
Niloofar Shahidi, Michael Pan, Soroush Safaei, Kenneth Tran + 2 more
Simulating complex biological and physiological systems and predicting their behaviours under different conditions remains challenging. Breaking systems into smaller and more manageable modules can address this challenge, assisting both model development and simulation. Nevertheless, existing computational models in…
Michael Pan, Peter J. Gawthrop, Joseph Cursons, Edmund J. Crampin
It is widely acknowledged that the construction of large-scale dynamic models in systems biology requires complex modelling problems to be broken up into more manageable pieces. To this end, both modelling and software frameworks are required to enable modular modelling. While there has been consistent progress in the…
Gergo Ferenc Igneczi, Tamas Dobay
Absztrakt: Az automatizált vezetési rendszerek rohamos fejlődése az elmúlt években a közlekedésbiztonság és az utazási kényelem javulásához vezetett. Az egyik jellemző funkciója ezeknek a rendszereknek a sávtartás, ami általános esetben nem veszi figyelembe az emberi vezetésre jellemző preferenciákat. Korábbi munkánk…
Michael Alverson, Sterling Baird, Ryan Murdock, Taylor Sparks
The idea of materials discovery has excited and perplexed research scientists for centuries. Several different methods have been employed to find new types of materials, ranging from the arbitrary replacement of atoms in a crystal structure to advanced machine learning methods for predicting entirely new crystal…
Sabah Al‐Fedaghi
In the systems and software modeling field, a conceptual model involves modeling with concepts to support development and design. An example of a conceptual model is a description developed using the Unified Modeling Language (UML). UML uses a model multiplicity formulation approach, wherein a number of models are used…
Jaewook Jung, Yoonseok Jwa, Gunho Sohn, Changshan Wu + 1 more
'Shawn (Shixiong) Hu'] With rapid urbanization, highly accurate and semantically rich virtualization of building assets in 3D become more critical for supporting various applications, including urban planning, emergency response and location-based services. Many research efforts have been conducted to automatically…
Panagiotis D. Kolokathis, Nikolaos K. Sidiropoulos, Dimitrios Zouraris, Dimitra-Danai Varsou + 20 more
Modelling Data (MODA) reporting guidelines have been proposed for common terminology and for recording metadata for physics-based materials modelling and simulations in a CEN Workshop Agreement (CWA 17284:2018). Their purpose is similar to that of the Quantitative Structure-Activity Relationship (QSAR) model report…
Sabah Al‐Fedaghi
- In software system design, one of the purposes of diagrammatic modeling is to explain something (e.g., data tables) to others. Very often, syntax of diagrams is specified while the intended meaning of diagrammatic constructs remains intuitive and approximate. Conceptual modeling has been developed to capture concepts…
Mariana Gómez-Schiavon, Hana El-Samad
Mathematical models continue to be essential for deepening our understanding of biology. On one extreme, simple or small-scale models help delineate general biological principles. However, the parsimony of detail in these models as well as their assumption of modularity and insulation make them inaccurate for…
Christopher Schölzel, Valeria Blesius, Gernot Ernst, Andreas Dominik
Reproducible, understandable models that can be reused and combined to true multi-scale systems are required to solve the present and future challenges of systems biology. However, many mathematical models are still built for a single purpose and reusing them in a different context can be challenging due to an…
Vahid Moosavi
We discuss that how the majority of traditional modeling approaches are following the idealism point of view in scientific modeling, which follow the set theoretical notions of models based on abstract universals. We show that while successful in many classical modeling domains, there are fundamental limits to the…
Authors not listed
The ability to generate crystal structures directly from textual descriptions marks a pivotal advancement in materials informatics and underscores the emerging role of large language models (LLMs) in inverse design. In this work, we introduce CrysText, a text-conditioned framework that generates crystal structures in…
Gunther Eysenbach, Peter Schulz, Lorenzo Moja, Marien Lorenzo + 2 more
Background Contributing to health informatics research means using conceptual models that are integrative and explain the research in terms of the two broad domains of health science and information science. However, it can be hard for novice health informatics researchers to find exemplars and guidelines in working…
Mathias Peirlinck, Kevin Linka, Juan A. Hurtado, Gerhard A. Holzapfel + 1 more
Personalized computational simulations have emerged as a vital tool to understand the biomechanical factors of a disease, predict disease progression, and design personalized intervention. Material modeling is critical for realistic biomedical simulations, and poor model selection can have life-threatening consequences…
Kevin Maik Jablonka, Andrew S. Rosen, Aditi S. Krishnapriyan, Berend Smit
The space of all plausible materials for a given application is so large that it cannot be explored using a brute-force approach. This is, in particular, the case for reticular chemistry which provides materials designers with a practically infinite playground on different length scales. One promising approach to guide…