相关论文: Reducing Data Requirements for Sequence-Property P…

In the last decade, motivated by the success of Deep Learning, the scientific community proposed several approaches to make the learning procedure of Neural Networks more effective. When focussing on the way in which the training data are…

Deep learning has made significant progress in protein structure prediction, advancing the development of computational biology. However, despite the high accuracy achieved in predicting single-chain structures, a significant number of…

Mechanical metamaterials represent an innovative class of artificial structures, distinguished by their extraordinary mechanical characteristics, which are beyond the scope of traditional natural materials. The use of deep generative models…

Mixup is an efficient data augmentation approach that improves the generalization of neural networks by smoothing the decision boundary with mixed data. Recently, dynamic mixup methods have improved previous static policies effectively…

Direct numerical simulation of hierarchical materials via homogenization-based concurrent multiscale models poses critical challenges for 3D large scale engineering applications, as the computation of highly nonlinear and path-dependent…

Emerging multi-material 3D printing techniques have paved the way for the rational design of metamaterials with not only complex geometries but also arbitrary distributions of multiple materials within those geometries. Varying the spatial…

Large language models (LLMs) bear promise as a fast and accurate material modeling paradigm for evaluation, analysis, and design. Their vast number of trainable parameters necessitates a wealth of data to achieve accuracy and mitigate…

Brain-inspired machine intelligence research seeks to develop computational models that emulate the information processing and adaptability that distinguishes biological systems of neurons. This has led to the development of spiking neural…

Climate models play a critical role in understanding and projecting climate change. Due to their complexity, their horizontal resolution of about 40-100 km remains too coarse to resolve processes such as clouds and convection, which need to…

Aptamers are single-stranded DNA/RNAs or short peptides with unique tertiary structures that selectively bind to specific targets. They have great potential in the detection and medical fields. Here, we present SelfTrans-Ensemble, a deep…

Protein interactions are important in a broad range of biological processes. Traditionally, computational methods have been developed to automatically predict protein interface from hand-crafted features. Recent approaches employ deep…

Interpolation-based Data Augmentation (DA) methods (Mixup) linearly interpolate the inputs and labels of two or more training examples. Mixup has more recently been adapted to the field of Natural Language Processing (NLP), mainly for…

The rapid growth of resource-constrained mobile platforms, including mobile robots, wearable systems, and Internet-of-Things devices, has increased the demand for computationally efficient neural network controllers (NNCs) that can operate…

Synthetic data offers a scalable solution for vision-language pre-training, yet current state-of-the-art methods typically rely on scaling up a single generative backbone, which introduces generator-specific spectral biases and limits…

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…

Advances in deep learning have opened an era of abundant and accurate predicted protein structures; however, similar progress in protein ensembles has remained elusive. This review highlights several recent research directions towards…

The design of novel proteins has many applications but remains an attritional process with success in isolated cases. Meanwhile, deep learning technologies have exploded in popularity in recent years and are increasingly applicable to…

In this article, we use artificial intelligence algorithms to show how to enhance the resolution of the elementary particle track fitting in inhomogeneous dense detectors, such as plastic scintillators. We use deep learning to replace more…

Advances in Deep Learning bring further investigation into credibility and robustness, especially for safety-critical engineering applications such as the nuclear industry. The key challenges include the availability of data set (often…

In the era of data-centric AI, the ability to curate high-quality training data is as crucial as model design. Coresets offer a principled approach to data reduction, enabling efficient learning on large datasets through importance…