Results 131 to 140 of about 29,055 (302)
Advanced Intelligent Discovery, EarlyView.An explainable CatBoost model was trained to predict the bandgaps of 474 phosphate crystals based on composition and density descriptors. SHAP analysis identified two key variables—d‐electron‐count dispersion and atomic‐density dispersion—as the primary drivers of the model's predictions.
Wenhu Wang +3 more
wiley +1 more source
A Multi-Objective Multi-Label Feature Selection Algorithm Based on Shapley Value. [PDF]
Entropy (Basel), 2021 Dong H, Sun J, Sun X.
europepmc +1 more source
Advanced Intelligent Discovery, EarlyView.Materials informatics and autonomous experimentation are transforming the discovery of organic molecular crystals. This review presents an integrated molecule–crystal–function–optimization workflow combining machine learning, crystal structure prediction, and Bayesian optimization with robotic platforms.
Takuya Taniguchi +2 more
wiley +1 more source
Stable syndicates of factor owners and distribution of social output: a Shapley value approach [PDF]
The purpose of this paper is to examine the incentive of a player to join a syndicate in an environment of team production and payoff distribution according to Shapley value.
Fabrice Valognes +2 more
core
A Critical Assessment of Bonding Descriptors for Predicting Materials Properties
Advanced Intelligent Discovery, EarlyView.The impact of new bonding descriptors in machine learning models for predicting material properties is assessed. Improvements are validated using significance tests, and new, intuitive descriptors for screening lattice thermal conductivity and projected force constants are introduced.
Aakash Ashok Naik +6 more
wiley +1 more source
POTENTIAL, VALUE AND PROBABILITY [PDF]
This paper focuses on the probabilistic point of view and proposes a extremely simple probabilistic model that provides a single and simple story to account for several extensions of the Shapley value, as weighted Shapley values, semivalues, and weak ...
Annick Laruelle, Federico Valenciano
core
Advanced Intelligent Discovery, EarlyView.Matrix‐assisted laser desorption/ionization imaging‐based identification of reliable small molecule markers across heterogeneous glioblastoma cohorts is challenging with intensity‐only methods. We present spatially informed feature selection (SIFS), a spatially informed framework that prioritizes molecules consistently colocalizing with histopathology.
Shad A. Mohammed +15 more
wiley +1 more source
New trading risk indexes: application of the shapley value in finance [PDF]
The aim of this paper is to offer new risk indicators that enable one to classify securities of a portfolio according to their risk degrees. These indexes are issued from a new method of the covariance decomposition based on the Shapley Value.
stephane mussard, virginie terraza
core
Advanced Intelligent Discovery, EarlyView.This research demonstrates that the combination of domain knowledge–based multiple regression, multi‐objective Bayesian optimization, and generative models is a suitable prediction tool for candidates of high refractive index polymers, even with the constraints in the model trained on limited data. The experimental validation can reproduce the proposed
Takuya Yokoo +3 more
wiley +1 more source
MARGINAL CONTRIBUTIONS AND EXTERNALITIES IN THE VALUE [PDF]
For games in partition function form, we explore the implications of distinguishing between the concepts of intrinsic marginal contributions and externalities.
Roberto Serrano, Geoffroy de Clippel
core +2 more sources