Maximum-distance nonnegative matrix factorization for unmixing highly mixed grain-size distribution data: A generalization of AnalySize

Nonnegative matrix factorization (NMF) decomposes a nonnegative matrix into the product of two nonnegative matrices. This property makes NMF well suited for unmixing grain-size distribution data, which are inherently nonnegative and have row sums equal to one. Previous studies have shown that AnalySize, an NMF-based method, performs well on poorly mixed grain-size distribution data but struggles when the data is highly mixed, where no observed samples are close to the true end members. To overcome this limitation, we introduce a maximum-distance NMF that encourages the estimated end members to be as distinct as possible and develop a hierarchical alternating least squares algorithm for optimization. The proposed formulation can be regarded as a generalization of AnalySize, where AnalySize minimizes the distance among end members while the proposed method maximizes it. Experimental results demonstrate that the method effectively decomposes highly mixed grain-size distribution data.