Introduction

    在材料產業中,無論是配方設計、製程機台參數亦或是後端產品特性,大多以實驗試誤(trial-and-error)的方式來進行,不僅耗費大量人力物力與時間成本,新材料或新產品的開發周期更是長達數年。 如今,因電腦計算效能與數據分析技術大幅進步,從金融、電子商務到醫療產業,藉由大量數據解析以掌握關鍵技術或產品,已是必然的發展方向。在材料領域,與人工智慧機器學習技術的結合也已是國際趨勢。 
    機器學習技術是透過數學演算法,以舊有數據進行訓練產生預測模型,透過此模型在實驗之前篩選合適的參數,進而加速材料研發的時程,提早佈局下世代材料與產品。在材料產業中,數據累積不易,因此如何將機器學習技術應用於小樣本的材料研發上更是技術瓶頸。 美國自2011年起的Material Genome Initiative(MGI,材料基因組計畫)開始投入大量資源發展高通量計算、高通量實驗,收集材料的結構和特徵等各種信息作為數位資料庫,通過適當的組織將其用於材料設計和檢索,並與人工智慧機器學習等跨領域整合技術,為發展材料創新而建構之共享平台,是數位資訊時代新的材料研究方法的核心內容。

    In the material manufacturing industry, whether it is formula design, process parameters or back-end product characteristics, most of them are conducted in the form of trial-and-error, which consumes a lot of manpower, resources and time. And the development cycle of new materials or new products often takes many years. Due to the significant advancement in computer computing performance and data analysis technology, from finance, e-commerce to the medical industry, it is an inevitable development direction to master key technologies or products through massive data analysis. In the field of materials, the combination with artificial intelligence machine learning technology has also become an international trend. 
    Machine learning uses mathematical algorithms to train the data to produce predictive models. Through this model, the appropriate parameters are selected before the experiment, which accelerates the time course of material development and lays out the next generation materials and products. In the material industry, data accumulation is not easy, so how to apply machine learning technology to small sample data is a technical bottleneck. The Material Genome Initiative (MGI) in the United States since 2011 invested a large amount of resources in the development of high-throughput calculations, high-throughput experiments, and collecting information on the structure and characteristics of materials as a digital database, through appropriate organization. It is used in material design and retrieval, and cross-domain integration technology with artificial intelligence machine learning, and a shared platform for the material innovation, which is the core content of the new material research methodology in the Information Age.

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