Physics-inspired structural representations for molecules and materials

F Musil, A Grisafi, AP Bartók, C Ortner… - Chemical …, 2021 - ACS Publications
The first step in the construction of a regression model or a data-driven analysis, aiming to
predict or elucidate the relationship between the atomic-scale structure of matter and its …

Comprehensive survey on hierarchical clustering algorithms and the recent developments

X Ran, Y Xi, Y Lu, X Wang, Z Lu - Artificial Intelligence Review, 2023 - Springer
Data clustering is a commonly used data processing technique in many fields, which divides
objects into different clusters in terms of some similarity measure between data points …

[HTML][HTML] Oxytocin pathway gene networks in the human brain

DS Quintana, J Rokicki, D van der Meer… - Nature …, 2019 - nature.com
Oxytocin is a neuropeptide involved in animal and human reproductive and social behavior.
Three oxytocin signaling genes have been frequently implicated in human social behavior …

[HTML][HTML] Unsupervised machine learning in atomistic simulations, between predictions and understanding

M Ceriotti - The Journal of chemical physics, 2019 - pubs.aip.org
Automated analyses of the outcome of a simulation have been an important part of atomistic
modeling since the early days, addressing the need of linking the behavior of individual …

Density peaks clustering based on density backbone and fuzzy neighborhood

A Lotfi, P Moradi, H Beigy - Pattern Recognition, 2020 - Elsevier
Density peaks clustering (DPC) is as an efficient clustering algorithm due for using a non-
iterative process. However, DPC and most of its improvements suffer from the following …

[HTML][HTML] Smarter sustainable tourism: data-driven multi-perspective parameter discovery for autonomous design and operations

R Alsahafi, A Alzahrani, R Mehmood - Sustainability, 2023 - mdpi.com
Global natural and manmade events are exposing the fragility of the tourism industry and its
impact on the global economy. Prior to the COVID-19 pandemic, tourism contributed 10.3 …

Quantitative wave function analysis for excited states of transition metal complexes

S Mai, F Plasser, J Dorn, M Fumanal, C Daniel… - Coordination Chemistry …, 2018 - Elsevier
The character of an electronically excited state is one of the most important descriptors
employed to discuss the photophysics and photochemistry of transition metal complexes. In …

Revisiting bundle recommendation: Datasets, tasks, challenges and opportunities for intent-aware product bundling

Z Sun, J Yang, K Feng, H Fang, X Qu… - Proceedings of the 45th …, 2022 - dl.acm.org
Product bundling is a commonly-used marketing strategy in both offline retailers and online
e-commerce systems. Current research on bundle recommendation is limited by:(1) noisy …

Multidisciplinary pattern recognition applications: A review

M Paolanti, E Frontoni - Computer Science Review, 2020 - Elsevier
Pattern recognition (PR) is the study of how machines can examine the environment, learn
to distinguish patterns of interest from their background, and make reliable and feasible …

[HTML][HTML] Smart homes and families to enable sustainable societies: a data-driven approach for multi-perspective parameter discovery using BERT modelling

E Alqahtani, N Janbi, S Sharaf, R Mehmood - Sustainability, 2022 - mdpi.com
Homes are the building block of cities and societies and therefore smart homes are critical to
establishing smart living and are expected to play a key role in enabling smart, sustainable …