A method and a system for the real-time optimization of a molecular-level device, and a storage medium are described. The method includes: inputting molecular composition of petroleum processing feedstocks into a pre-trained product prediction model to obtain a predicted molecular composition of corresponding predicted products and a predicted molecular content of each single molecule; determining whether the predicted product meets a preset standard for a target product; if the predicted product does not meet any preset standard for a target product, adjusting an operation parameter in the product prediction model, to re-obtain the predicted molecular composition and the predicted molecular content, until the preset standard is met. By means of the present disclosure, molecular-level integral simulation and real-time optimization of the molecular-level device from the feedstocks to the product processing process are achieved, and the precision and production efficiency are improved.

This disclosure relates generally to system and method for molecular property prediction. The conventional methods for molecular property prediction suffer from inherent limitation to effectively encapsulate the characteristics of the molecular graph. Moreover, the known methods are computationally intensive, thereby leading to non-performance in real-time scenarios. The disclosed method overcomes the limitations of typical dynamic neighborhood aggregation (DNA) method by fusing the static edge attributes in determining the self-attention coefficients. In an embodiment, the disclosed method transforms the hidden state of a sink node by utilizing a neural-net function, which takes as input an aggregated single-message vector obtained by the self-attention mechanism and the self-attention mechanism transformed hidden state of the node.

An optimization method and system for a whole process of molecular-level oil refinery processing and a storage medium are described. According to an embodiment, for mixed products obtained by prediction from simulation of a molecular-level crude oil processing process, when physical properties of any mixed product do not meet any preset standard, or when a target parameter of the mixed products does not meet a preset condition, the proportion of different fractions entering respective petroleum processing device, an operating parameter in a product prediction model, and a mixing rule for mixing predicted products are adjusted, and the mixed products are re-obtained, until the product properties meet any preset standard and the target parameter meets the preset condition. Final predicted products are predicted by adjusting the proportion of fractions for secondary processing, and the production efficiency is improved by means of the simulation optimization of a production process.

An optimization method and system for a whole process of molecular-level oil refinery processing and a storage medium are described. According to an embodiment, for mixed products obtained by prediction from simulation of a molecular-level crude oil processing process, when physical properties of any mixed product do not meet any preset standard, or when a target parameter of the mixed products does not meet a preset condition, the proportion of different fractions entering respective petroleum processing device, an operating parameter in a product prediction model, and a mixing rule for mixing predicted products are adjusted, and the mixed products are re-obtained, until the product properties meet any preset standard and the target parameter meets the preset condition. Final predicted products are predicted by adjusting the proportion of fractions for secondary processing, and the production efficiency is improved by means of the simulation optimization of a production process.

The embodiments disclose a method including planning a combining sequence of the atoms and compounds with carbon atoms to achieve sequentially predetermined covalent and ion bonding molecular structures, using magnetic fields of force to align atoms and molecules to uniformly orient the atoms and molecules polar alignments when sequentially combining with the carbon atoms, confirming the final carbon combined compound molecular structure conforms to the planned sequential molecular structure using an apparatus, and creating a beverage using the final carbon combined compound molecules to fortify the beverage nutritional content including fulvic acid.

The embodiments disclose a method including planning a combining sequence of the atoms and compounds with carbon atoms to achieve sequentially predetermined covalent and ion bonding molecular structures, using magnetic fields of force to align atoms and molecules to uniformly orient the atoms and molecules polar alignments when sequentially combining with the carbon atoms, confirming the final carbon combined compound molecular structure conforms to the planned sequential molecular structure using an apparatus, and creating a beverage using the final carbon combined compound molecules to fortify the beverage nutritional content including fulvic acid.

Methods, systems, and apparatus for training quantum evolutions using sub-logical controls. In one aspect, a method includes the actions of accessing quantum hardware, wherein the quantum hardware includes a quantum system comprising one or more multi-level quantum subsystems; one or more control devices that operate on the one or more multi-level quantum subsystems according to one or more respective control parameters that relate to a parameter of a physical environment in which the multi-level quantum subsystems are located; initializing the quantum system in an initial quantum state, wherein an initial set of control parameters form a parameterization that defines the initial quantum state; obtaining one or more quantum system observables and one or more target quantum states; and iteratively training until an occurrence of a completion event.

A method is disclosed for determining a conformation of a molecule on at least one degree of freedom to optimize according to at least one molecular objective function, the method comprising generating using at least one corresponding degree of freedom to optimize a connected rigid bodies representation for the molecule by identifying a plurality of groups of atoms, generating a data structure representative of the connected rigid bodies representation generating at least one neighborhood for each generated neighborhood of the at least one generated neighborhoods, generating a corresponding binary optimization problem using the data structure, providing the generated corresponding binary optimization problem to a high-performance binary optimizer, obtaining a solution from the high-performance binary optimizer; and providing at least one corresponding solution.

A method is disclosed for determining a conformation of a molecule on at least one degree of freedom to optimize according to at least one molecular objective function, the method comprising generating using at least one corresponding degree of freedom to optimize a connected rigid bodies representation for the molecule by identifying a plurality of groups of atoms, generating a data structure representative of the connected rigid bodies representation generating at least one neighborhood for each generated neighborhood of the at least one generated neighborhoods, generating a corresponding binary optimization problem using the data structure, providing the generated corresponding binary optimization problem to a high-performance binary optimizer, obtaining a solution from the high-performance binary optimizer; and providing at least one corresponding solution.

A 4D quantitative and intelligent diagnosis method for spatio-temporal evolution of oil-gas reservoir damage types and extent includes: determining a characteristic parameter characterizing reservoir damage by each of a plurality of factors based on a spatio-temporal evolution simulation equation of reservoir damage by each of the plurality of factors; and determining an effective characteristic parameter characterizing the damage extent of the reservoir based on the characteristic parameter characterizing reservoir damage by each of the plurality of factors. The method quantitatively simulate the characteristic parameters of reservoir damage caused by the various factors and a total characteristic parameter of the reservoir damage.