Abstract
Mitchell and Burdick (B.C. Mitchell, D.S. Burdick, An empirical comparison of resolution methods for three-way arrays, Chemom. Intell. Lab. Syst. 20 (1993) 149-161; B.C. Mitchell, D.S. Burdick, Slowly converging PARAFAC sequences: Swamps and two-factor degeneracies, J. Chemom. 8 (1994) 155-168.) uncovered an intriguing correspondence between the existence of PARAFAC swamps and the presence of two-factor degeneracies (2FDs). This observation, coupled with the recognition that post-swamp resolutions were generally better than pre-swamp resolutions allowed the user a method of detecting when a swamp had likely been encountered and, hence, when it was safe to assume that PARAFAC had converged to a suitable resolution. Still, this correspondence alone did not suggest how one might reduce the number of PARAFAC iterations required to move through a swamp. In this paper, it is noted that serious 2FDs must produce an identifiable ill-conditioning in the least squares estimation step in PARAFAC. Moreover, a serious 2FD is only one way this ill-conditioning may occur and, hence, it is more correct to say that swamps correspond to this ill-conditioning in general, rather than to the presence of 2FDs in particular. In an attempt to reduce the number of iterations that PARAFAC spends in a swamp, a particular method of stabilization is employed and results are presented which suggest that the number iterations can often be greatly reduced.
| Original language | English |
|---|---|
| Pages (from-to) | 173-181 |
| Number of pages | 9 |
| Journal | Chemometrics and Intelligent Laboratory Systems |
| Volume | 38 |
| Issue number | 2 |
| DOIs | |
| State | Published - Oct 1997 |
Bibliographical note
Funding Information:During the preparation of this manuscript Professor Rayens was supported by NSF Grant ATM 9108177.
Funding
During the preparation of this manuscript Professor Rayens was supported by NSF Grant ATM 9108177.
| Funders | Funder number |
|---|---|
| National Science Foundation (NSF) | ATM 9108177 |
Keywords
- PARAFAC
- Two-factor degeneracies (2FDs)
ASJC Scopus subject areas
- Analytical Chemistry
- Software
- Process Chemistry and Technology
- Spectroscopy
- Computer Science Applications
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