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Mostrando ítems 1-16 de 16

A priori control of zeolite phase competition and intergrowth with high-throughput simulations

Schwalbe-Koda, Daniel; Kwon, Soonhyoung; Paris, Cecilia; Bello-Jurado, Estefanía; Jensen, Zach; Olivetti, Elsa; Willhammar, Tom; Corma Canós, Avelino; Román-Leshkov, Yuriy; Moliner Marin, Manuel; Gomez-Bombarelli, Rafael (American Association for the Advancement of Science (AAAS), 2021-10-15)

[EN] Zeolites are versatile catalysts and molecular sieves with large topological diversity, but managing phase competition in zeolite synthesis is an empirical, labor-intensive task. In this work, we controlled phase ...
An Augmented Regularized Combined Source Integral Equation for Nonconforming Meshes

Vico Bondía, Felipe; Greengard, Leslie; Ferrando Bataller, Miguel; Antonino Daviu, Eva (Institute of Electrical and Electronics Engineers, 2019-04)

[EN] We present a new version of the regularized combined source integral equation (CSIE-AR) for the solution of electromagnetic scattering problems in the presence of perfectly conducting bodies. The integral equation is ...
Artificial Intelligence on FDG PET Images Identifies Mild Cognitive Impairment Patients with Neurodegenerative Disease

Prats-Climent, Joan; Gandia-Ferrero, Maria Teresa; Torres-Espallardo, Irene; Álvarez-Sanchez, Lourdes; Martinez-Sanchis, Begoña; Cháfer-Pericás, Consuelo; Gómez-Rico, Ignacio; Cerdá-Alberich, Leonor; Aparici-Robles, Fernando; Baquero-Toledo, Miquel; Rodríguez-Álvarez, M. J.; Marti-Bonmati, Luis (Springer-Verlag, 2022-06-17)

[EN] The purpose of this project is to develop and validate a Deep Learning (DL) FDG PET imaging algorithm able to identify patients with any neurodegenerative diseases (Alzheimer's Disease (AD), Frontotemporal Degeneration ...
Automated segmentation of medial temporal lobe subregions on in vivo T1-weighted MRI in early stages of Alzheimer's disease

Xie, Long; Wisse, Laura E. M.; Pluta, John; de Flores, Robin; Piskin, Virgine; Manjón Herrera, José Vicente; Wang, Hongzhi; Das, Sandhitsu R.; Ding, Song-Lin; Wolk, David A.; Yushkevich, Paul A. (John Wiley & Sons, 2019-08-15)

[EN] Medial temporal lobe (MTL) substructures are the earliest regions affected by neurofibrillary tangle pathology-and thus are promising biomarkers for Alzheimer's disease (AD). However, automatic segmentation of the MTL ...
Boundary integral equation analysis on the sphere

Vico Bondía, Felipe; Greengard, Leslie; Gimbutas, Zydrunas (Springer Verlag (Germany), 2014-11)

We present a systematic analysis of the integral operators of potential theory that arise when solving the Helmholtz or Maxwell equations in the exterior (or interior) of a sphere in the frequency domain. After obtaining ...
Can language models automate data wrangling?

Jaimovitch-López, Gonzalo; Ferri Ramírez, César; Hernández-Orallo, José; Martínez-Plumed, Fernando; Ramírez Quintana, María José (Springer-Verlag, 2023-06)

[EN] The automation of data science and other data manipulation processes depend on the integration and formatting of 'messy' data. Data wrangling is an umbrella term for these tedious and time-consuming tasks. Tasks such ...
Defining and validating a feature-driven requirements engineering approach

de Oliveira, Raphael Pereira; Blanes Domínguez, David; González Huerta, Javier; Insfrán Pelozo, César Emilio; Abrahao Gonzales, Silvia Mara; Cohen, Sholom; de Almeida, Eduardo Santana (Graz University of Technology, Institut für Informationssysteme und Computer Medien (IICM), 2014)

[EN] The specification of requirements is a key activity for achieving the goals of any software project and it has long been established and recognized by researchers and practitioners. Within Software Product Lines ...
Direct Human-AI Comparison in the Animal-AI Environment

Voudouris, Konstantinos; Crosby, Matthew; Beyret, Benjamin; Hernández-Orallo, José; Shanahan, Murray; Halina, Marta; Cheke, Lucy G. (Frontiers Media SA, 2022-05-24)

[EN] Artificial Intelligence is making rapid and remarkable progress in the development of more sophisticated and powerful systems. However, the acknowledgement of several problems with modern machine learning approaches ...
Discovering Relationships between OSDAs and Zeolites through Data Mining and Generative Neural Networks

Jensen, Zach; Kwon, Soonhyoung; Schwalbe-Koda, Daniel; Paris, Cecilia; Gómez-Bombarelli, Rafael; Román-Leshkov, Yuriy; Corma Canós, Avelino; Moliner Marin, Manuel; Olivetti, Elsa A. (American Chemical Society, 2021-05-26)

[EN] Organic structure directing agents (OSDAs) play a crucial role in the synthesis of micro- and mesoporous materials especially in the case of zeolites. Despite the wide use of OSDAs, their interaction with zeolite ...
Fast convolution with free-space Green's functions

Vico Bondía, Felipe; Greengard, Leslie; Ferrando Bataller, Miguel (Elsevier, 2016-10-15)

We introduce a fast algorithm for computing volume potentials - that is, the convolution of a translation invariant, free-space Green's function with a compactly supported source distribution defined on a uniform grid. The ...
Fast, rate-independent, finite element implementation of a 3D constrained mixture model of soft tissue growth and remodeling

Latorre, Marcos; Humphrey, Jay D. (Elsevier, 2020-08-15)

[EN] Constrained mixture models of soft tissue growth and remodeling can simulate many evolving conditions in health as well as in disease and its treatment, but they can be computationally expensive. In this paper, we ...
General intelligence disentangled via a generality metric for natural and artificial intelligence

Hernández-Orallo, José; Loe, Bao Sheng; Cheke, Lucy; Martínez-Plumed, Fernando; Heigeartaigh, Sean O. (Nature Publishing Group, 2021-11-24)

[EN] Success in all sorts of situations is the most classical interpretation of general intelligence. Under limited resources, however, the capability of an agent must necessarily be limited too, and generality needs to ...
In vivo development of tissue engineered vascular grafts: a fluid-solid-growth model

Latorre, Marcos; Szafron, Jason M.; Ramachandra, Abhay B.; Humphrey, Jay D. (Springer-Verlag, 2022-02-18)

[EN] Methods of tissue engineering continue to advance, and multiple clinical trials are underway evaluating tissue engineered vascular grafts (TEVGs). Whereas initial concerns focused on suture retention and burst pressure, ...
Scalable microwave waste-to-fuel conversion

Robinson, Megan; Popovic, Zoya (Editorial Universitat Politècnica de València, 2019-10-15)

[EN] This paper presents an efficiency study for scalable microwave waste management. When waste with carbon content is subjected to volume power densities on the order of 0.25W/cm3 at GHz frequencies, it converts to solid ...
Structural connectivity centrality changes mark the path towards Alzheimer's disease

Peraza, Luis R.; Díaz-Parra, Antonio; Kennion, Oliver; Moratal, David; Taylor, John-Paul; Kaiser, Marcus; Bauer, Roman (Elsevier, 2019-01-18)

[EN] Introduction: The pathophysiological process of Alzheimer's disease is thought to begin years before clinical decline, with evidence suggesting prion-like spreading processes of neurofibrillary tangles and amyloid ...
Training Data Scientists Through Project-Based Learning

Martínez-Plumed, Fernando; Hernández-Orallo, José (Institute of Electrical and Electronics Engineers, 2023-08)

[EN] The concepts of innovation, creativity, problem solving, effective communication, autonomy and critical thinking are at the core of becoming a good data scientist. Adapting to new technological resources and tools is ...