Results 121 to 130 of about 55,666 (218)

MolMiner: Toward Controllable, Three‐Dimensional‐Aware, Fragment‐Based Molecular Design

open access: yesAdvanced 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

In Situ Contact Angle Measurement for Autonomous Spin Coating in Self‐Driving Labs

open access: yesAdvanced Intelligent Discovery, EarlyView.
A vision‐based add‐on transforms commercial spin coaters into autonomous modules of Self‐Driving Labs. Combining a width‐scaled U‐Net with classical geometric analysis, the system simultaneously measures contact angles and estimates substrate pose using a single camera.
Sven Fischer, Micha Hiegle, Holger Röhm
wiley   +1 more source

Multiscale and Multi‐Timestep Switching of Multiple Machine Learning Force Fields for Artificial Intelligence‐Driven Materials Simulations

open access: yesAdvanced Intelligent Discovery, EarlyView.
Deep Potential model switching accelerates molecular dynamics by using a faster 4 Å model for most timesteps and periodically applying a high‐accuracy 6 Å model. Validation on solid TiO2 and liquid PEG shows preserved RDF correlations and stable NPT behavior, while NVE energy‐drift analyses identify cases requiring additional validation.
Ryuya Kanda   +6 more
wiley   +1 more source

A Memristor‐Based In‐Memory Computing System‐on‐Chip with Efficient Depthwise Convolution

open access: yesAdvanced Intelligent Systems, EarlyView.
We present a memristor‐based in‐memory computing (IMC) architecture that enables efficient depthwise convolution (DWC) acceleration. Fabricated in a system‐on‐chip with crossbar arrays, the design improves memory utilization. Experimental validation demonstrates the first hardware acceleration of DWC in IMC, achieving a digital comparable inference ...
Wenhao Song   +21 more
wiley   +1 more source

Programmable Flocks: Hierarchical Swarm Control via Dynamic Parameter Injection

open access: yesAdvanced Intelligent Systems, EarlyView.
We present a method for the control of robot swarms which allows the shaping and the translation of patterns of simple robots (“smart particles”), using two types of devices. These two types represent a hierarchy: a larger group of simple, oblivious robots (which we call the workers) that is governed by simple local attraction forces and a smaller ...
Vivek Shankar Varadharajan   +1 more
wiley   +1 more source

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