Advanced Intelligent Discovery, EarlyView.This article outlines how artificial intelligence could reshape the design of next‐generation transistors as traditional scaling reaches its limits. It discusses emerging roles of machine learning across materials selection, device modeling, and fabrication processes, and highlights hierarchical reinforcement learning as a promising framework for ...
Shoubhanik Nath +4 more
wiley +1 more source
A topological approach to the Arrow impossibility theorem when individual preferences are weak orders (forcoming in ``Applied Mathematics and Compuation''(Elsevier)) [PDF]
We will present a topological approach to the Arrow impossibility theorem of social choice theory that there exists no binary social choice rule (which we will call a social welfare function) which satisfies the conditions of transitivity, independence ...
Yasuhito Tanaka
core
Fine-scale individualized gyral folding-based cortical similarity networks reveal distinct organizational patterns in Alzheimer's disease and Lewy body dementia. [PDF]
Imaging Neurosci (Camb)Chen M +6 more
europepmc +1 more source
MolMiner: Toward Controllable, Three‐Dimensional‐Aware, Fragment‐Based Molecular Design
Advanced Intelligent Discovery, EarlyView.MolMiner is a fragment‐based, geometry‐aware, and order‐agnostic generative model for molecular design with strong inductive biases. Using symmetry‐aware fragment assembly, dynamic three‐dimensional geometry, and multi‐property conditioning, MolMiner enables interpretable and controllable molecular generation.
Raul Ortega‐Ochoa +2 more
wiley +1 more source
[O─I─O]+ Halogen‐Bonded Complexes of Pyridine N‐Oxides
Angewandte Chemie, EarlyView.The missing puzzle of 3‐center‐4‐electron halogen‐bonded complexes viz. [O─I─O]+ of pyridine N‐oxides are structurally characterized by x‐ray diffraction. Monodentate N‐oxide O‐atom acts as the halogen bond acceptor. Their solution complexations are characterized by 15N NMR spectroscopy.
Rakesh Puttreddy +3 more
wiley +2 more sources
The Higher Structure of Symmetries of Axion-Maxwell Theory. [PDF]
Commun Math PhysDel Zotto M, Dell'Acqua M, Gårding ER.
europepmc +1 more source
Artificial Intelligence for Advanced Functional Materials: Progress and Emerging Frontiers
Advanced Intelligent Systems, EarlyView.Artificial intelligence is transforming the discovery of functional materials by linking synthesis, characterization, simulation, and design in unified workflows. Advances in machine learning, autonomous experimentation, and foundation models are accelerating innovation across energy, electronics, and biomedicine, while revealing new frontiers for ...
Cristiano Malica +38 more
wiley +1 more source
Topological potentials guiding protein self-assembly. [PDF]
PLoS Comput BiolSpirandelli ILA +3 more
europepmc +1 more source
Comparative Analysis of Model‐Agnostic Explanation Methods in Materials Science
Advanced Intelligent Systems, EarlyView.To address the critical lack of explainable artificial intelligence (XAI) benchmarks in materials science, we present a quantitative and qualitative analysis of six XAI methods applied to molecular fingerprints. Our results reveal significant discrepancies in feature importance rankings, demonstrating that the chosen explanation approach introduces ...
Anna Przybyłowska +7 more
wiley +1 more source
Qualitative Topological Coverage of Unknown Environments by Mobile Robots
, 2006 This thesis considers the problem of complete coverage of unknown environments by a mobile robot. The goal of such navigation is for the robot to visit all reachable surfaces in an environment.
Wong, Sylvia C
core