Life Sciences Commons^™

Machine Learning As A Tool For Early Detection: A Focus On Late-Stage Colorectal Cancer Across Socioeconomic Spectrums, Hadiza Galadima, Rexford Anson-Dwamena, Ashley Johnson, Ghalib Bello, Georges Adunlin, James Blando

Community & Environmental Health Faculty Publications

Purpose: To assess the efficacy of various machine learning (ML) algorithms in predicting late-stage colorectal cancer (CRC) diagnoses against the backdrop of socio-economic and regional healthcare disparities. Methods: An innovative theoretical framework was developed to integrate individual- and census tract-level social determinants of health (SDOH) with sociodemographic factors. A comparative analysis of the ML models was conducted using key performance metrics such as AUC-ROC to evaluate their predictive accuracy. Spatio-temporal analysis was used to identify disparities in late-stage CRC diagnosis probabilities. Results: Gradient boosting emerged as the superior model, with the top predictors for late-stage CRC diagnosis being anatomic site, …

Awegnn: Auto-Parametrized Weighted Element-Specific Graph Neural Networks For Molecules., Timothy Szocinski, Duc Duy Nguyen, Guo-Wei Wei

Mathematics Faculty Publications

While automated feature extraction has had tremendous success in many deep learning algorithms for image analysis and natural language processing, it does not work well for data involving complex internal structures, such as molecules. Data representations via advanced mathematics, including algebraic topology, differential geometry, and graph theory, have demonstrated superiority in a variety of biomolecular applications, however, their performance is often dependent on manual parametrization. This work introduces the auto-parametrized weighted element-specific graph neural network, dubbed AweGNN, to overcome the obstacle of this tedious parametrization process while also being a suitable technique for automated feature extraction on these internally complex …

Auditing Snomed Ct Hierarchical Relations Based On Lexical Features Of Concepts In Non-Lattice Subgraphs, Licong Cui, Olivier Bodenreider, Jay Shi, Guo-Qiang Zhang

Computer Science Faculty Publications

Objective—We introduce a structural-lexical approach for auditing SNOMED CT using a combination of non-lattice subgraphs of the underlying hierarchical relations and enriched lexical attributes of fully specified concept names. Our goal is to develop a scalable and effective approach that automatically identifies missing hierarchical IS-A relations.

Methods—Our approach involves 3 stages. In stage 1, all non-lattice subgraphs of SNOMED CT’s IS-A hierarchical relations are extracted. In stage 2, lexical attributes of fully-specified concept names in such non-lattice subgraphs are extracted. For each concept in a non-lattice subgraph, we enrich its set of attributes with attributes from its ancestor …

Detecting And Accounting For Multiple Sources Of Positional Variance In Peak List Registration Analysis And Spin System Grouping, Andrey Smelter, Eric C. Rouchka, Hunter N. B. Moseley

Molecular and Cellular Biochemistry Faculty Publications

Peak lists derived from nuclear magnetic resonance (NMR) spectra are commonly used as input data for a variety of computer assisted and automated analyses. These include automated protein resonance assignment and protein structure calculation software tools. Prior to these analyses, peak lists must be aligned to each other and sets of related peaks must be grouped based on common chemical shift dimensions. Even when programs can perform peak grouping, they require the user to provide uniform match tolerances or use default values. However, peak grouping is further complicated by multiple sources of variance in peak position limiting the effectiveness of …

A Dynamic Run-Profile Energy-Aware Approach For Scheduling Computationally Intensive Bioinformatics Applications, Sachin Pawaskar, Hesham Ali

Computer Science Faculty Proceedings & Presentations

High Performance Computing (HPC) resources are housed in large datacenters, which consume exorbitant amounts of energy and are quickly demanding attention from businesses as they result in high operating costs. On the other hand HPC environments have been very useful to researchers in many emerging areas in life sciences such as Bioinformatics and Medical Informatics. In an earlier work, we introduced a dynamic model for energy aware scheduling (EAS) in a HPC environment; the model is domain agnostic and incorporates both the deadline parameter as well as energy parameters for computationally intensive applications. Our proposed EAS model incorporates 2-phases. In …

Trip: Tracking Rhythms In Plants, An Automated Leaf Movement Analysis Program For Circadian Period Estimation, Kathleen Greenham, Ping Lou, Sara E. Remsen, Hany Farid, C Robertson Mcclung

Dartmouth Scholarship

Background: A well characterized output of the circadian clock in plants is the daily rhythmic movement of leaves. This process has been used extensively in Arabidopsis to estimate circadian period in natural accessions as well as mutants with known defects in circadian clock function. Current methods for estimating circadian period by leaf movement involve manual steps throughout the analysis and are often limited to analyzing one leaf or cotyledon at a time.

Methods: In this study, we describe the development of TRiP (Tracking Rhythms in Plants), a new method for estimating circadian period using a motion estimation algorithm that can …

Extracting City Traffic Events From Social Streams, Pramod Anantharam, Payam Barnaghi, Krishnaprasad Thirunarayan, Amit P. Sheth

Kno.e.sis Publications

Cities are composed of complex systems with physical, cyber, and social components. Current works on extracting and understanding city events mainly rely on technology enabled infrastructure to observe and record events. In this work, we propose an approach to leverage citizen observations of various city systems and services such as traffic, public transport, water supply, weather, sewage, and public safety as a source of city events. We investigate the feasibility of using such textual streams for extracting city events from annotated text. We formalize the problem of annotating social streams such as microblogs as a sequence labeling problem. We present …

Computing Inconsistency Measure Based On Paraconsistent Semantics, Pascal Hitzler, Yue Ma, Guilin Qi

Computer Science and Engineering Faculty Publications

Measuring inconsistency in knowledge bases has been recognized as an important problem in several research areas. Many methods have been proposed to solve this problem and a main class of them is based on some kind of paraconsistent semantics. However, existing methods suffer from two limitations: (i) they are mostly restricted to propositional knowledge bases; (ii) very few of them discuss computational aspects of computing inconsistency measures. In this article, we try to solve these two limitations by exploring algorithms for computing an inconsistency measure of first-order knowledge bases. After introducing a four-valued semantics for first-order logic, we define an …

Parallel Progressive Multiple Sequence Alignment On Reconfigurable Meshes, Ken Nguyen, Yi Pan, Ge Nong

Computer Science Faculty Publications

Background: One of the most fundamental and challenging tasks in bio-informatics is to identify related sequences and their hidden biological significance. The most popular and proven best practice method to accomplish this task is aligning multiple sequences together. However, multiple sequence alignment is a computing extensive task. In addition, the advancement in DNA/RNA and Protein sequencing techniques has created a vast amount of sequences to be analyzed that exceeding the capability of traditional computing models. Therefore, an effective parallel multiple sequence alignment model capable of resolving these issues is in a great demand.

Results: We design O(1) run-time solutions …

A Comparison Of The Functional Modules Identified From Time Course And Static Ppi Network Data, Xiwei Tang, Jianxin Wang, Binbin Liu, Min Li, Gang Chen, Yi Pan

Computer Science Faculty Publications

Background: Cellular systems are highly dynamic and responsive to cues from the environment. Cellular function and response patterns to external stimuli are regulated by biological networks. A protein-protein interaction (PPI) network with static connectivity is dynamic in the sense that the nodes implement so-called functional activities that evolve in time. The shift from static to dynamic network analysis is essential for further understanding of molecular systems.

Results: In this paper, Time Course Protein Interaction Networks (TC- PINs) are reconstructed by incorporating time series gene expression into PPI networks. Then, a clustering algorithm is used to create functional modules from three …

Partitioning Of Minimotifs Based On Function With Improved Prediction Accuracy, Sanguthevar Rajasekaran, Tian Mi, Jerlin Camilus Merlin, Aaron Oommen, Patrick R. Gradie, Martin R. Schiller

Life Sciences Faculty Research

Background

Minimotifs are short contiguous peptide sequences in proteins that are known to have a function in at least one other protein. One of the principal limitations in minimotif prediction is that false positives limit the usefulness of this approach. As a step toward resolving this problem we have built, implemented, and tested a new data-driven algorithm that reduces false-positive predictions.

Methodology/Principal Findings

Certain domains and minimotifs are known to be strongly associated with a known cellular process or molecular function. Therefore, we hypothesized that by restricting minimotif predictions to those where the minimotif containing protein and target protein have …

Identifying Protein Complexes From Interaction Networks Based On Clique Percolation And Distance Restriction, Jianxin Wang, Binbin Liu, Min Li, Yi Pan

Computer Science Faculty Publications

Background: Identification of protein complexes in large interaction networks is crucial to understand principles of cellular organization and predict protein functions, which is one of the most important issues in the post-genomic era. Each protein might be subordinate multiple protein complexes in the real protein-protein interaction networks.Identifying overlapping protein complexes from protein-protein interaction networks is a considerable research topic.

Result: As an effective algorithm in identifying overlapping module structures, clique percolation method (CPM) has a wide range of application in social networks and biological networks. However, the recognition accuracy of algorithm CPM is lowly. Furthermore, algorithm CPM is unfit to …

A Novel Approach To Phylogenetic Tree Construction Using Stochastic Optimization And Clustering, Ling Qin, Yixin Chen, Yi Pan, Ling Chen

Computer Science Faculty Publications

Background: The problem of inferring the evolutionary history and constructing the phylogenetic tree with high performance has become one of the major problems in computational biology.

Results: A new phylogenetic tree construction method from a given set of objects (proteins, species, etc.) is presented. As an extension of ant colony optimization, this method proposes an adaptive phylogenetic clustering algorithm based on a digraph to find a tree structure that defines the ancestral relationships among the given objects.

Conclusion: Our phylogenetic tree construction method is tested to compare its results with that of the genetic algorithm (GA). Experimental results show that …

A Subgroup Algorithm To Identify Cross-Rotation Peaks Consistent With Non-Crystallographic Symmetry, Ryan H. Lilien, Chris Bailey-Kellogg, Amy C. Anderson, Bruce R. Donald

Dartmouth Scholarship

Molecular replacement (MR) often plays a prominent role in determining initial phase angles for structure determination by X-ray crystallography. In this paper, an efficient quaternion-based algorithm is presented for analyzing peaks from a cross-rotation function in order to identify model orientations consistent with proper non-crystallographic symmetry (NCS) and to generate proper NCS-consistent orientations missing from the list of cross-rotation peaks. The algorithm, CRANS, analyzes the rotation differences between each pair of cross-rotation peaks to identify finite subgroups. Sets of rotation differences satisfying the subgroup axioms correspond to orientations compatible with the correct proper NCS. The CRANS algorithm was first …