相关论文: Predicting and Accelerating Nanomaterials Synthesi…

This paper presents a novel pre-processing scheme to improve the prediction of sand fraction from multiple seismic attributes such as seismic impedance, amplitude and frequency using machine learning and information filtering. The available…

Machine learning models of materials$^{1-5}$ accelerate discovery compared to ab initio methods: deep learning models now reproduce density functional theory (DFT)-calculated results at one hundred thousandths of the cost of DFT$^{6}$. To…

Diffusion Probabilistic Models (DPMs) are generative models showing competitive performance in various domains, including image synthesis and 3D point cloud generation. Sampling from pre-trained DPMs involves multiple neural function…

Weed species classification represents an important step for the development of automated targeting systems that allow the adoption of precision agriculture practices. To reduce costs and yield losses caused by their presence. The…

This short paper presents the potential of using machine learning to predict materials behaviour in the context of hydrogen interaction with steel. Effort has been made to understand the quality, and amount of data needed to get improved…

The properties of silver nanoparticles (AgNPs) are affected by various parameters, making optimisation of their synthesis a laborious task. This optimisation is facilitated in this work by concurrent use of a T-junction microfluidic system…

Data-driven approaches for material discovery and design have been accelerated by emerging efforts in machine learning. However, general representations of crystals to explore the vast material search space remain limited. We introduce a…

The explosion of data in recent years has generated an increasing need for new analysis techniques in order to extract knowledge from massive datasets. Machine learning has proved particularly useful to perform this task. Fully automatized…

Even though thermodynamic energy-based crystal structure prediction (CSP) has revolutionized materials discovery, the energy-driven CSP approaches often struggle to identify experimentally realizable metastable materials synthesized through…

In this work, we discuss use of machine learning techniques for rapid prediction of detonation properties including explosive energy, detonation velocity, and detonation pressure. Further, analysis is applied to individual molecules in…

Nanoporous materials hold promise for diverse sustainable applications, yet their vast chemical space poses challenges for efficient design. Machine learning offers a compelling pathway to accelerate the exploration, but existing models…

An image based prediction of the effective heat conductivity for highly heterogeneous microstructured materials is presented. The synthetic materials under consideration show different inclusion morphology, orientation, volume fraction and…

We develop, discuss, and compare several inference techniques to constrain theory parameters in collider experiments. By harnessing the latent-space structure of particle physics processes, we extract extra information from the simulator.…

The understanding of inorganic reactions, especially those far from the equilibrium state, is relatively limited due to their inherent complexity. Poor understandings on the underlying synthetic chemistry have constrained the design of…

Learning at the edge is a challenging task from several perspectives, since data must be collected by end devices (e.g. sensors), possibly pre-processed (e.g. data compression), and finally processed remotely to output the result of…

Adhesion is a fundamental phenomenon that plays a role in many engineering and biological applications. This paper concerns the use of machine learning to characterize the effective adhesive properties when a thin film is peeled from a…

To advance the development of materials through data-driven scientific methods, appropriate methods for building machine learning (ML)-ready feature tables from measured and computed data must be established. In materials development, X-ray…

As the need for miniaturized structural and functional materials has increased,the need for precise materials characterizaton has also expanded. Nanoindentation is a popular method that can be used to measure material mechanical behavior…

Diffusion and flow-based models have enabled significant progress in generation tasks across various modalities and have recently found applications in predictive learning. However, unlike typical generation tasks that encourage sample…

In the presence of strong electronic spin correlations, the hyperfine interaction imparts long-range coupling between nuclear spins. Efficient protocols for the extraction of such complex information about electron correlations via magnetic…