1.2MTRL-SCIDec 6, 2022
Interdisciplinary Discovery of Nanomaterials Based on Convolutional Neural NetworksTong Xie, Yuwei Wan, Weijian Li et al.
The material science literature contains up-to-date and comprehensive scientific knowledge of materials. However, their content is unstructured and diverse, resulting in a significant gap in providing sufficient information for material design and synthesis. To this end, we used natural language processing (NLP) and computer vision (CV) techniques based on convolutional neural networks (CNN) to discover valuable experimental-based information about nanomaterials and synthesis methods in energy-material-related publications. Our first system, TextMaster, extracts opinions from texts and classifies them into challenges and opportunities, achieving 94% and 92% accuracy, respectively. Our second system, GraphMaster, realizes data extraction of tables and figures from publications with 98.3\% classification accuracy and 4.3% data extraction mean square error. Our results show that these systems could assess the suitability of materials for a certain application by evaluation of synthesis insights and case analysis with detailed references. This work offers a fresh perspective on mining knowledge from scientific literature, providing a wide swatch to accelerate nanomaterial research through CNN.
Outlier-Efficient Hopfield Layers for Large Transformer-Based ModelsJerry Yao-Chieh Hu, Pei-Hsuan Chang, Robin Luo et al.
We introduce an Outlier-Efficient Modern Hopfield Model (termed $\mathrm{OutEffHop}$) and use it to address the outlier inefficiency problem of {training} gigantic transformer-based models. Our main contribution is a novel associative memory model facilitating \textit{outlier-efficient} associative memory retrievals. Interestingly, this memory model manifests a model-based interpretation of an outlier-efficient attention mechanism (${\rm Softmax}_1$): it is an approximation of the memory retrieval process of $\mathrm{OutEffHop}$. Methodologically, this allows us to introduce novel outlier-efficient Hopfield layers as powerful alternatives to traditional attention mechanisms, with superior post-quantization performance. Theoretically, the Outlier-Efficient Modern Hopfield Model retains and improves the desirable properties of standard modern Hopfield models, including fixed point convergence and exponential storage capacity. Empirically, we demonstrate the efficacy of the proposed model across large-scale transformer-based and Hopfield-based models (including BERT, OPT, ViT, and STanHop-Net), benchmarking against state-of-the-art methods like $\mathtt{Clipped\_Softmax}$ and $\mathtt{Gated\_Attention}$. Notably, $\mathrm{OutEffHop}$ achieves an average reduction of 22+\% in average kurtosis and 26+\% in the maximum infinity norm of model outputs across four models. Code is available at \href{https://github.com/MAGICS-LAB/OutEffHop}{GitHub}; models are on \href{https://huggingface.co/collections/magicslabnu/outeffhop-6610fcede8d2cda23009a98f}{Hugging Face Hub}; future updates are on \href{https://arxiv.org/abs/2404.03828}{arXiv}.