An Evaluation of Score Level Fusion Approaches for Fingerprint and Finger-vein Biometrics

Biometric systems have to address many requirements, such as large population coverage, demographic diversity, varied deployment environment, as well as practical aspects like performance and spoofing attacks. Traditional unimodal biometric systems do not fully meet the aforementioned requirements making them vulnerable and susceptible to different types of attacks. In response to that, modern biometric systems combine multiple biometric modalities at different fusion levels. The fused score is decisive to classify an unknown user as a genuine or impostor. In this paper, we evaluate combinations of score normalization and fusion techniques using two modalities (fingerprint and finger-vein) with the goal of identifying which one achieves better improvement rate over traditional unimodal biometric systems. The individual scores obtained from finger-veins and fingerprints are combined at score level using three score normalization techniques (min-max, z-score, hyperbolic tangent) and four score fusion approaches (minimum score, maximum score, simple sum, user weighting). The experimental results proved that the combination of hyperbolic tangent score normalization technique with the simple sum fusion approach achieve the best improvement rate of 99.98%.Comment: 10 pages, 5 figures, 3 tables, conference, NISK 201

The pharmacophore kernel for virtual screening with support vector machines

We introduce a family of positive definite kernels specifically optimized for the manipulation of 3D structures of molecules with kernel methods. The kernels are based on the comparison of the three-points pharmacophores present in the 3D structures of molecul es, a set of molecular features known to be particularly relevant for virtual screening applications. We present a computationally demanding exact implementation of these kernels, as well as fast approximations related to the classical fingerprint-based approa ches. Experimental results suggest that this new approach outperforms state-of-the-art algorithms based on the 2D structure of mol ecules for the detection of inhibitors of several drug targets

Comparison of chemical clustering methods using graph- and fingerprint-based similarity measures

This paper compares several published methods for clustering chemical structures, using both graph- and fingerprint-based similarity measures. The clusterings from each method were compared to determine the degree of cluster overlap. Each method was also evaluated on how well it grouped structures into clusters possessing a non-trivial substructural commonality. The methods which employ adjustable parameters were tested to determine the stability of each parameter for datasets of varying size and composition. Our experiments suggest that both graph- and fingerprint-based similarity measures can be used effectively for generating chemical clusterings; it is also suggested that the CAST and Yin–Chen methods, suggested recently for the clustering of gene expression patterns, may also prove effective for the clustering of 2D chemical structures

Analyzing Learned Molecular Representations for Property Prediction

Advancements in neural machinery have led to a wide range of algorithmic solutions for molecular property prediction. Two classes of models in particular have yielded promising results: neural networks applied to computed molecular fingerprints or expert-crafted descriptors, and graph convolutional neural networks that construct a learned molecular representation by operating on the graph structure of the molecule. However, recent literature has yet to clearly determine which of these two methods is superior when generalizing to new chemical space. Furthermore, prior research has rarely examined these new models in industry research settings in comparison to existing employed models. In this paper, we benchmark models extensively on 19 public and 16 proprietary industrial datasets spanning a wide variety of chemical endpoints. In addition, we introduce a graph convolutional model that consistently matches or outperforms models using fixed molecular descriptors as well as previous graph neural architectures on both public and proprietary datasets. Our empirical findings indicate that while approaches based on these representations have yet to reach the level of experimental reproducibility, our proposed model nevertheless offers significant improvements over models currently used in industrial workflows