Identifying important components or factors in large amounts of noisy data is a key problem in machine learning and data mining. Motivated by a pattern decomposition problem in materials discovery, aimed at discovering new materials for renewable energy, e.g. for fuel and solar cells, we introduce CombiFD, a framework for factor based pattern decomposition that allows the incorporation of a-priori knowledge as constraints, including complex combinatorial constraints. In addition, we propose a new pattern decomposition algorithm, called AMIQO, based on solving a sequence of (mixed-integer) quadratic programs. Our approach considerably outperforms the state of the art on the materials discovery problem, scaling to larger datasets and recovering more precise and physically meaningful decompositions. We also show the effectiveness of our approach for enforcing background knowledge on other application domains.
While these basic methods are unsupervised, there is a growing interest in incorporating prior knowledge or user guidance into these frameworks @cite_38 . For example, in semi-supervised clustering applications, user guidance is often given by partial labeling information, which can be incorporated using hard constraints @cite_17 @cite_5 @cite_20 . Typical constraints used in this case are Must-Link and Cannot-Link, enforcing that two data points must or cannot be in the same cluster, respectively. For example, @cite_10 present an integrated framework for clustering non-homogenous data, and show how to turn Must-Link and Cannot-Link constraints into dependent and disparate clustering problems. Recently, researchers have also considered interactive matrix factorization schemes for topic modeling that can take into account user feedback on the quality of the decomposition @cite_20 (topic refinement, merging or splitting) and semi-supervised NMF with label information as constraints @cite_17 . Constraint clustering @cite_5 is another example of this approach. Alternatively, regularizations or penalty terms are also used to obtain solutions with certain desired properties such as sparsity @cite_2 @cite_33 , convexity @cite_19 , temporal structural properties and shift invariances @cite_1 @cite_8 .
@cite_38 @cite_33 @cite_8 @cite_1 @cite_19 @cite_2 @cite_5 @cite_10 @cite_20 @cite_17
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We present a framework for robustly estimating registration between a 3D volume image and a 2D projection image and evaluate its precision and robustness in spine interventions for vertebral localization in the presence of anatomical deformation. The framework employs a normalized gradient information similarity metric and multi-start covariance matrix adaptation evolution strategy optimization with local-restarts, which provided improved robustness against deformation and content mismatch. The parallelized implementation allowed orders-of-magnitude acceleration in computation time and improved the robustness of registration via multi-start global optimization. Experiments involved a cadaver specimen and two CT datasets (supine and prone) and 36 C-arm fluoroscopy images acquired with the specimen in four positions (supine, prone, supine with lordosis, prone with kyphosis), three regions (thoracic, abdominal, and lumbar), and three levels of geometric magnification (1.7, 2.0, 2.4). Registration accuracy was evaluated in terms of projection distance error (PDE) between the estimated and true target points in the projection image, including 14 400 random trials (200 trials on the 72 registration scenarios) with initialization error up to ±200 mm and ±10°. The resulting median PDE was better than 0.1 mm in all cases, depending somewhat on the resolution of input CT and fluoroscopy images. The cadaver experiments illustrated the tradeoff between robustness and computation time, yielding a success rate of 99.993 in vertebral labeling (with 'success' defined as PDE <5 mm) using 1,718 664 ± 96 582 function evaluations computed in 54.0 ± 3.5 s on a mid-range GPU (nVidia, GeForce GTX690). Parameters yielding a faster search (e.g., fewer multi-starts) reduced robustness under conditions of large deformation and poor initialization (99.535 success for the same data registered in 13.1 s), but given good initialization (e.g., ±5 mm, assuming a robust initial run) the same registration could be solved with 99.993 success in 6.3 s. The ability to register CT to fluoroscopy in a manner robust to patient deformation could be valuable in applications such as radiation therapy, interventional radiology, and an assistant to target localization (e.g., vertebral labeling) in image-guided spine surgery. Non-negative matrix factorization (NMF), i.e. V ap WH where both V, W and H are non-negative has become a widely used blind source separation technique due to its part based representation. The NMF decomposition is not in general unique and a part based representation not guaranteed. However, imposing sparseness both improves the uniqueness of the decomposition and favors part based representation. Sparseness in the form of attaining as many zero elements in the solution as possible is appealing from a conceptional point of view and corresponds to minimizing reconstruction error with an L0 norm constraint. In general, solving for a given L0 norm is an NP hard problem thus convex relaxation to regularization by the L1 norm is often considered, i.e., minimizing (1 2||V - WH||F 2 + lambda||H||1).An open problem is to control the degree of sparsity lambda imposed. We here demonstrate that a full regularization path for the L1 norm regularized least squares NMF for fixed W can be calculated at the cost of an ordinary least squares solution based on a modification of the least angle regression and selection (LARS) algorithm forming a non-negativity constrained LARS (NLARS). With the full regularization path, the L1 regularization strength lambda that best approximates a given L0 can be directly accessed and in effect used to control the sparsity of H. The MATLAB code for the NLARS algorithm is available for download. Matrix factorization based techniques, such as nonnegative matrix factorization and concept factorization, have attracted great attention in dimensionality reduction and data clustering. Previous studies show that both of them yield impressive results on image processing and document clustering. However, both of them are essentially unsupervised methods and cannot incorporate label information. In this paper, we propose a novel semisupervised matrix decomposition method for extracting the image concepts that are consistent with the known label information. With this constraint, we call the new approach constrained concept factorization. By requiring that the data points sharing the same label have the same coordinate in the new representation space, this approach has more discriminating power. The experimental results on several corpora show good performance of our novel algorithm in terms of clustering accuracy and mutual information. We consider the problem of using a large unlabeled sample to boost performance of a learning algorit,hrn when only a small set of labeled examples is available. In particular, we consider a problem setting motivated by the task of learning to classify web pages, in which the description of each example can be partitioned into two distinct views. For example, the description of a web page can be partitioned into the words occurring on that page, and the words occurring in hyperlinks t,hat point to that page. We assume that either view of the example would be sufficient for learning if we had enough labeled data, but our goal is to use both views together to allow inexpensive unlabeled data to augment, a much smaller set of labeled examples. Specifically, the presence of two distinct views of each example suggests strategies in which two learning algorithms are trained separately on each view, and then each algorithm’s predictions on new unlabeled examples are used to enlarge the training set of the other. Our goal in this paper is to provide a PAC-style analysis for this setting, and, more broadly, a PAC-style framework for the general problem of learning from both labeled and unlabeled data. We also provide empirical results on real web-page data indicating that this use of unlabeled examples can lead to significant improvement of hypotheses in practice. *This research was supported in part by the DARPA HPKB program under contract F30602-97-1-0215 and by NSF National Young investigator grant CCR-9357793. Permission to make digital or hard copies of all or part of this work for personal or classroom use is granted without fee provided that copies are not made or distributed for profit or commercial advantage and that copies bear this notice and the full citation on the first page. TO copy otherwise, to republish, to post on servers or to redistribute to lists, requires prior specific permission and or a fee. COLT 98 Madison WI USA Copyright ACM 1998 l-58113-057--0 98 7... 5.00 92 Tom Mitchell School of Computer Science Carnegie Mellon University Pittsburgh, PA 15213-3891 mitchell+@cs.cmu.edu