AIChE Journal, EarlyView.ABSTRACT Conceptual process design combines discrete configuration choices with continuous operating decisions, often yielding difficult mixed‐integer nonlinear or simulation‐based optimization problems. This work presents an exploratory computational assessment of Ising‐based solvers, simulated annealing, quantum annealing, and entropy computing, as ...
Yirang Park, David E. Bernal Neira
wiley +1 more source
Use of Information Entropy and MACBETH Methods in the Replacement Rates of Multicriteria Methods: A Systematic Review of the Literature. [PDF]
Entropy (Basel)Borges FDS, Longaray AA.
europepmc +1 more source
Experimental and numerical study of liquid–liquid systems using the Euler–Lagrange/VOF approach
AIChE Journal, EarlyView.Abstract Achieving stable liquid–liquid dispersions with controlled droplet size remains a challenge due to the complex interplay of dispersed phase viscosity, hydrodynamic conditions and interfacial interactions. This work presents a validated computational framework for droplet breakage and coalescence in liquid–liquid dispersions with variable ...
Pavel Krýsa +3 more
wiley +1 more source
Correcting Structural Bias in Dynamical Models of Infectious Disease Using a Bayesian State-Space Framework. [PDF]
Bull Math BiolAmadi M, García-Merino JC, Haario H.
europepmc +1 more source
Embedded Morgan Fingerprints for More Efficient Molecular Property Predictions With Machine Learning
Advanced Intelligent Discovery, EarlyView.High dimensionality of Morgan fingerprints causes overfitting and slow training. Embedded Morgan Fingerprint (eMFP) compresses this encoding while keeping key structural information intact. Tested on five regression models across three databases for HOMO–LUMO gap prediction, eMFP outperforms standard fingerprints, training faster on large, high ...
Emilio Nuñez‐Andrade +4 more
wiley +1 more source
Mathematics Behind Artificial Intelligence: From Deterministic Models to Probabilistic Learning
International Journal of Innovative Research in Technologyopenaire +2 more sources
A Probabilistic Framework for Finite Strain Damage Response of Thick Curved Beams Including the Shear Effect. [PDF]
Materials (Basel)Mohammadkhani A +2 more
europepmc +1 more source
Accelerating Biosensor Discovery: A Computationally‐Driven Pipeline for Microplastics Monitoring
Advanced Intelligent Discovery, EarlyView.A computationally guided pipeline unites molecular simulation, synthetic biology, electrochemical engineering, and machine learning to accelerate biosensor discovery. A Bacillus anthracis carbohydrate‐binding module is used to develop a high‐performance micro‐ and nanoplastics sensor with greatly reduced error and variability.
Gabriel X. Pereira +13 more
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Overcoming the limits of traditional rate calculations from sparse concentration data: a probabilistic framework for bioprocess modeling. [PDF]
Bioprocess Biosyst EngRichelle A +4 more
europepmc +1 more source
Advanced Intelligent Discovery, EarlyView.A low‐cost, self‐driving laboratory is developed to democratize autonomous materials discovery. Using this "frugal twin" hardware architecture with Bayesian optimization, the platform rapidly converges to target lower critical solution temperature (LCST) values while self‐correcting from off‐target experiments, demonstrating an accessible route to data‐
Guoyue Xu, Renzheng Zhang, Tengfei Luo
wiley +1 more source