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
Micro-photoluminescence spectroscopy of detonation nanodiamonds containing germanium-vacancy centres. [PDF]
Nanoscale AdvSaito Y +6 more
europepmc +1 more source
Vision‐Based Tactile Finger Integrating Fingerpad and Nail Sensing for Robotic Manipulation
Advanced Intelligent Systems, EarlyView.This vision‐based tactile finger captures nail force and fingerpad force, contact position, and in‐plane orientation with one internal camera. An external camera recognizes the target and presets finger inclination from object height. The compact dual‐sensing design supports tactile‐guided table contact and reliable grasping of objects ranging from ...
Hao Zhou, Kazuhiro Shimonomura
wiley +1 more source
Water‐Derived Radical Species Initiate Six‐Electron Oxidation of Cyclic Ketones in Microdroplets
Angewandte Chemie, EarlyView.Spontaneous six‐electron oxidation of cyclic ketones to yield dicarboxylic acids/keto acids is achieved in ethanol microdroplets containing about 2% water under ambient conditions without any metal salts, acids, or oxidants. Mechanistic studies show that trace amounts of water and molecular oxygen serve as active oxidants in this transformation ...
Muhammad Mujahid Ali +3 more
wiley +2 more sources
Machine Learning Densities, Detonation Velocities, and Formation Enthalpies of Energetic Materials Using Quantum Chemistry Descriptors. [PDF]
J Chem Theory ComputKimber P +7 more
europepmc +1 more source
Playing in the Dark: Invisible Chess as a Laboratory for Strategic AI
AI &Innovation, EarlyView.This paper shows that strategic AI evaluated on perfect‐information benchmarks can be brittle in real adversarial settings. By using invisible chess as a benchmark for hidden state and deception, it argues for stricter testing, human oversight, and more cautious governance of high‐stakes AI systems.
Paolo Ciancarini
wiley +1 more source
Kinetically Stable Boron‐Heteroatom Bonds
Angewandte Chemie, EarlyView.This study investigates the kinetic stability of boron‐heteroatom bonds in N‐methyliminodiacetic acid (MIDA) boronates. The hemilabile nature of the ligand enables the synthesis of molecules that would otherwise be considered too hydrolytically labile. Depending on the structure, acid‐promoted migration of the boryl group was found to produce compounds
Alina Trofimova +8 more
wiley +2 more sources
An integrated analysis of naval platform survivability for mission resilience. [PDF]
Sci RepWoolley A +4 more
europepmc +1 more source
Nanodiamonds as Bioactive Platforms to Modulate Microbial, Mammalian, and Vertebrate Systems
Advanced NanoBiomed Research, EarlyView.Nanodiamonds (NDs) are biocompatible and antibacterial nanomaterials that support mammalian cell growth while inhibiting bacterial pathogens. NDs showed strong antibacterial activity, with Escherichia coli being more sensitive than Staphylococcus aureus. At 10 mg/mL, both bacteria exhibited ~8% viability.
Aaqil Rifai +6 more
wiley +1 more source
Ionic Liquid Electrolytes for Extreme Temperature Conditions: Challenges and Perspective
Angewandte Chemie, EarlyView.Ionic liquids (ILs) have gained great attention as safe electrolyte components in recent years. This review elucidates the temperature effects on IL‐based electrolytes from molecular configurations, physicochemical properties, and interfacial chemistry, raises the challenges and design strategies operating at low‐ and HT, providing valuable guidance ...
En Xie +11 more
wiley +2 more sources