相关论文: Network analysis of synthesizable materials discov…

In Nature, the primary goal of any network is to survive. This is less obvious for engineering networks (electric power, gas, water, transportation systems etc.) that are expected to operate under normal conditions most of time. As a…

This paper is the first work to propose a network to predict a structured uncertainty distribution for a synthesized image. Previous approaches have been mostly limited to predicting diagonal covariance matrices. Our novel model learns to…

RNA function crucially depends on its structure. Thermodynamic models currently used for secondary structure prediction rely on computing the partition function of folding ensembles, and can thus estimate minimum free-energy structures and…

Amorphous materials offer unique functional characteristics, which are often not observed in their crystalline counterparts. This makes them invaluable for many technological applications, such as diffusion barriers in semiconductor…

We propose a synthetical weights' dynamic mechanism for weighted networks which takes into account the influences of strengths of nodes, weights of links and incoming new vertices. Strength/Weight preferential strategies are used in these…

Signatures of glassy dynamics have been identified experimentally for a rich variety of materials in which molecular networks provide rigidity. Here we present a theoretical framework to study the glassy behavior of both passive and active…

The conflict between stiffness and toughness is a fundamental problem in engineering materials design. However, the systematic discovery of microstructured composites with optimal stiffness-toughness trade-offs has never been demonstrated,…

Conventional machine learning approaches accelerate inorganic materials design via accurate property prediction and targeted material generation, yet they operate as single-shot models limited by the latent knowledge baked into their…

Machine learning heavily relies on data, but real-world applications often encounter various data-related issues. These include data of poor quality, insufficient data points leading to under-fitting of machine learning models, and…

Synthesis is the automatic construction of a system from its specification. In classical synthesis algorithms, it is always assumed that the system is "constructed from scratch" rather than composed from reusable components. This, of…

The design of intelligent materials often draws parallels with the complex adaptive behaviors of biological organisms, where robust functionality stems from sophisticated hierarchical organization and emergent long-distance coordination…

Materials are the foundation of modern society, underpinning advancements in energy, electronics, healthcare, transportation, and infrastructure. The ability to discover and design new materials with tailored properties is critical to…

Photoelastic techniques have a long tradition in both qualitative and quantitative analysis of the stresses in granular materials. Over the last two decades, computational methods for reconstructing forces between particles from their…

Scientific discovery evolves from the experimental, through the theoretical and computational, to the current data-intensive paradigm. Materials science is no exception, especially for computational materials science. In recent years, great…

Visual recognition of materials and their states is essential for understanding the physical world, from identifying wet regions on surfaces or stains on fabrics to detecting infected areas on plants or minerals in rocks. Collecting data…

The free energy of a system is central to many material models. Although free energy data is not generally found directly, its derivatives can be observed or calculated. In this work, we present an Integrable Deep Neural Network (IDNN) that…

A suite of classifiers was developed to distinguish experimentally synthesized zeolites from computationally predicted zeolite-like structures. Using convolutional neural networks applied to 3D volumetric grids, these classifiers achieve…

The use of machine learning algorithms is an attractive way to produce very fast detector simulations for scattering reactions that can otherwise be computationally expensive. Here we develop a factorised approach where we deal with each…

Graph neural networks, trained on experimental or calculated data are becoming an increasingly important tool in computational materials science. Networks, once trained, are able to make highly accurate predictions at a fraction of the cost…

Reliability analysis of mechatronic systems is a recent field and a dynamic branch of research. It is addressed whenever there is a need for reliable, available, and safe systems. The studies of reliability must be conducted earlier during…