Results 111 to 120 of about 29,405 (206)

Universally Accurate or Specifically Inadequate? Stress‐Testing General Purpose Machine Learning Interatomic Potentials

Advanced Intelligent Discovery, EarlyView.
We investigate MACE‐MP‐0 and M3GNet, two general‐purpose machine learning potentials, in materials discovery and find that both generally yield reliable predictions. At the same time, both potentials show a bias towards overstabilizing high energy metastable states. We deduce a metric to quantify when these potentials are safe to use.
Konstantin S. Jakob, Karsten Reuter, Johannes T. Margraf   +2 more
wiley   +1 more source

A visual question answering method based on task decomposition. [PDF]

PLoS One
Cong Y, Mo H.
europepmc   +1 more source

The Necessity of Dynamic Workflow Managers for Advancing Self‐Driving Labs and Optimizers

Advanced Intelligent Discovery, EarlyView.
We assess the maturity and integration readiness of key methodologies for Materials Acceleration Platforms, highlighting the need for dynamic workflow managers. Demonstrating this, we integrate PerQueue into a color‐mixing robot, showing how flexible orchestration improves coordination and optimization.
Simon K. Steensen, Patrick W. V. Butler, Jesper R. Pedersen, Nis Fisker‐Bødker, Tejs Vegge, Jin Hyun Chang, Ivano E. Castelli   +6 more
wiley   +1 more source

Coalition of explainable artificial intelligence and quantum computing in precision medicine. [PDF]

Comput Struct Biotechnol J
Ray S, Bhattacharya P, Mattar EA, Mukhopadhyay A.   +3 more
europepmc   +1 more source

Automation of Surgical Workflow Recognition: Unveiling the Surgical Instrument Kinematics that Underly Robot‐Assisted Prostatectomy Procedures

Advanced Intelligent Discovery, EarlyView.
Automated procedural analysis is recognized as one of the major game changers for robotic surgery. Meaning digital analysis needs to replace the manual assessments that set todays standard. Mechanical robotic‐instrument tracking enables the derivation of quantitative kinematic metrics that support behavior‐based workflow segmentation into distinct ...
Kateryna Pirkovets, Matthias N. van Oosterom, Vera A. Ottens, Henk G. van der Poel, Fijs W. B. van Leeuwen   +4 more
wiley   +1 more source

Quantum annealing feature selection on light-weight medical image datasets. [PDF]

Sci Rep
Nau MA, Nutricati LA, Camino B, Warburton PA, Maier AK.   +4 more
europepmc   +1 more source

LLM‐Based Scientific Assistants for Knowledge Extraction: Which Design Choices Matter?

Advanced Intelligent Discovery, EarlyView.
A comprehensive framework for optimizing Large Language Models in domain‐specific applications is introduced. The LLM Playground integrates Prompt Engineering, knowledge augmentation, and advanced reasoning strategies to enable systematic comparison of architectures and base models.
David Exler, Manuel Raimann, Marc Münker, Maxim Rosin, Joaquin E. Urrutia Gómez, Christof M. Niemeyer, Markus Reischl, Luca Rettenberger   +7 more
wiley   +1 more source

Quantum computing and the implementation of precision medicine. [PDF]

NPJ Genom Med
Nassir N, Hashmi MA, Raji KG, Jamalalail B, Maksymowsky A, Scherer SW, Alsheikh-Ali A, Uddin M.   +7 more
europepmc   +1 more source

Explaining the Origin of Negative Poisson's Ratio in Amorphous Networks With Machine Learning

Advanced Intelligent Discovery, EarlyView.
This review summarizes how machine learning (ML) breaks the “vicious cycle” in designing auxetic amorphous networks. By transitioning from traditional “black‐box” optimization to an interpretable “AI‐Physics” closed‐loop paradigm, ML is shown to not only discover highly optimized structures—such as all‐convex polygon networks—but also unveil hidden ...
Shengyu Lu, Xiangying Shen
wiley   +1 more source

The dual regulatory role of METTL14-mediated m⁶A modification in tumorigenesis and its underlying mechanisms. [PDF]

Front Oncol
Yang Y, Chao L, Ao X, Liang J.
europepmc   +1 more source