Amarda Shehu

Orcid: 0000-0001-5230-4610

Affiliations:
  • George Mason University, Fairfax VA, USA


According to our database1, Amarda Shehu authored at least 159 papers between 2007 and 2024.

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Bibliography

2024
Birdie: Advancing State Space Models with Reward-Driven Objectives and Curricula.
CoRR, 2024

Accounting for Work Zone Disruptions in Traffic Flow Forecasting.
CoRR, 2024

Beyond Single-Model Views for Deep Learning: Optimization versus Generalizability of Stochastic Optimization Algorithms.
CoRR, 2024

Revisiting Evolutionary Algorithms for Optimization for Deep Learning: Introducing DL-HEA: EAs for Optimization for Deep Learning.
Proceedings of the Genetic and Evolutionary Computation Conference Companion, 2024

Birdie: Advancing State Space Language Modeling with Dynamic Mixtures of Training Objectives.
Proceedings of the 2024 Conference on Empirical Methods in Natural Language Processing, 2024

2023
Examining DNA breathing with pyDNA-EPBD.
Bioinform., October, 2023

Adaptive Stochastic Optimization to Improve Protein Conformation Sampling.
IEEE ACM Trans. Comput. Biol. Bioinform., 2023

Global Convergence Analysis of Local SGD for Two-layer Neural Network without Overparameterization.
Proceedings of the Advances in Neural Information Processing Systems 36: Annual Conference on Neural Information Processing Systems 2023, 2023

A Comparative Analysis of Transformer-based Protein Language Models for Remote Homology Prediction.
Proceedings of the 14th ACM International Conference on Bioinformatics, 2023

Structure- and Energy-based Analysis of Small Molecule Ligand Binding to Steroid Nuclear Receptors.
Proceedings of the 14th ACM International Conference on Bioinformatics, 2023

2022
Improved Protein Decoy Selection via Non-Negative Matrix Factorization.
IEEE ACM Trans. Comput. Biol. Bioinform., 2022

Pavement Distress Recognition via Wavelet-Based Clustering of Smartphone Accelerometer Data.
J. Comput. Civ. Eng., 2022

Multiple Instance Learning for Detecting Anomalies over Sequential Real-World Datasets.
CoRR, 2022

Transformer Neural Networks Attending to Both Sequence and Structure for Protein Prediction Tasks.
CoRR, 2022

Small molecule generation via disentangled representation learning.
Bioinform., 2022

Interpretable Molecular Graph Generation via Monotonic Constraints.
Proceedings of the 2022 SIAM International Conference on Data Mining, 2022

Multi-objective Deep Data Generation with Correlated Property Control.
Proceedings of the Advances in Neural Information Processing Systems 35: Annual Conference on Neural Information Processing Systems 2022, 2022

Sequence-Structure Embeddings via Protein Language Models Improve on Prediction Tasks.
Proceedings of the IEEE International Conference on Knowledge Graph, 2022

F-Measure Optimization for Multi-class, Imbalanced Emotion Classification Tasks.
Proceedings of the Artificial Neural Networks and Machine Learning - ICANN 2022, 2022

Generation and Characterization of Quaternary Ammonium Compounds via Deep Learning.
Proceedings of the IEEE International Conference on Bioinformatics and Biomedicine, 2022

Equivariant Encoding based GVAE (EqEn-GVAE) for Protein Tertiary Structure Generation.
Proceedings of the IEEE International Conference on Bioinformatics and Biomedicine, 2022

Property-Controllable Generation of Quaternary Ammonium Compounds.
Proceedings of the IEEE International Conference on Bioinformatics and Biomedicine, 2022

2021
Adaptive Conformation Sampling Dataset Zaman_TCBB21.
Dataset, November, 2021

Dataset for Disentangled Representation Learning for Interpretable Molecule Generation.
Dataset, April, 2021

Dataset for Space Partitioning and Regression Mode Seeking via a Mean-Shift-Inspired Algorithm.
Dataset, March, 2021

Dataset for Generative Adversarial Learning of Protein Tertiary Structures. Molecules, 2021.
Dataset, February, 2021

Unsupervised multi-instance learning for protein structure determination.
J. Bioinform. Comput. Biol., 2021

Traffic Flow Forecasting with Maintenance Downtime via Multi-Channel Attention-Based Spatio-Temporal Graph Convolutional Networks.
CoRR, 2021

Space Partitioning and Regression Mode Seeking via a Mean-Shift-Inspired Algorithm.
CoRR, 2021

Graph Representation Learning for Protein Conformation Sampling.
Proceedings of the Computational Advances in Bio and Medical Sciences: 11th International Conference, 2021

Single Model Quality Estimation of Protein Structures via Non-negative Tensor Factorization.
Proceedings of the Computational Advances in Bio and Medical Sciences: 11th International Conference, 2021

Detecting Scarce Emotions Using BERT and Hyperparameter Optimization.
Proceedings of the Artificial Neural Networks and Machine Learning - ICANN 2021, 2021

PsychBERT: A Mental Health Language Model for Social Media Mental Health Behavioral Analysis.
Proceedings of the IEEE International Conference on Bioinformatics and Biomedicine, 2021

Antigen Binding Reshapes Antibody Energy Landscape and Conformation Dynamics.
Proceedings of the IEEE International Conference on Bioinformatics and Biomedicine, 2021

Deep Latent-Variable Models for Controllable Molecule Generation.
Proceedings of the IEEE International Conference on Bioinformatics and Biomedicine, 2021

Generating Physically-Realistic Tertiary Protein Structures with Deep Latent Variable Models Learning Over Experimentally-available Structures.
Proceedings of the IEEE International Conference on Bioinformatics and Biomedicine, 2021

2020
Protein Tertiary Structures Zaman_Molecules20.
Dataset, April, 2020

Generating Tertiary Protein Structures via an Interpretative Variational Autoencoder.
CoRR, 2020

Decoy selection for protein structure prediction via extreme gradient boosting and ranking.
BMC Bioinform., 2020

A Multi-channel BiLSTM-CNN Model for Multilabel Emotion Classification of Informal Text.
Proceedings of the IEEE 14th International Conference on Semantic Computing, 2020

Reconstruction and Decomposition of High-Dimensional Landscapes via Unsupervised Learning.
Proceedings of the KDD '20: The 26th ACM SIGKDD Conference on Knowledge Discovery and Data Mining, 2020

Interpretable Deep Graph Generation with Node-edge Co-disentanglement.
Proceedings of the KDD '20: The 26th ACM SIGKDD Conference on Knowledge Discovery and Data Mining, 2020

Protein Decoy Generation via Adaptive Stochastic Optimization for Protein Structure Determination.
Proceedings of the IEEE International Conference on Bioinformatics and Biomedicine, 2020

Decoy Selection in Protein Structure Determination via Symmetric Non-negative Matrix Factorization.
Proceedings of the IEEE International Conference on Bioinformatics and Biomedicine, 2020

Deep Ranking in Template-free Protein Structure Prediction.
Proceedings of the BCB '20: 11th ACM International Conference on Bioinformatics, 2020

Variational Autoencoders for Protein Structure Prediction.
Proceedings of the BCB '20: 11th ACM International Conference on Bioinformatics, 2020

2019
EML: A Scalable, Transparent Meta-Learning Paradigm for Big Data Applications.
Proceedings of the Innovations in Big Data Mining and Embedded Knowledge, 2019

Guest Editorial on the Special Issue on Informatics on Biomedical Data Learning, Reasoning, and Representation.
IEEE J. Biomed. Health Informatics, 2019

Guest Editorial for the ACM International Conference on Bioinformatics, Computational Biology, and Health Informatics.
IEEE ACM Trans. Comput. Biol. Bioinform., 2019

Building maps of protein structure spaces in template-free protein structure prediction.
J. Bioinform. Comput. Biol., 2019

From molecular energy landscapes to equilibrium dynamics via landscape analysis and markov state models.
J. Bioinform. Comput. Biol., 2019

ROMEO: A Plug-and-play Software Platform of Robotics-inspired Algorithms for Modeling Biomolecular Structures and Motions.
CoRR, 2019

Balancing multiple objectives in conformation sampling to control decoy diversity in template-free protein structure prediction.
BMC Bioinform., 2019

Attenuating dependence on structural data in computing protein energy landscapes.
BMC Bioinform., 2019

User Behavior Modelling for Fake Information Mitigation on Social Web.
Proceedings of the Social, Cultural, and Behavioral Modeling, 2019

Using subpopulation EAs to map molecular structure landscapes.
Proceedings of the Genetic and Evolutionary Computation Conference, 2019

Identifying Near-Native Protein Structures via Anomaly Detection.
Proceedings of the 2019 IEEE International Conference on Bioinformatics and Biomedicine, 2019

Non-Negative Matrix Factorization for Selection of Near-Native Protein Tertiary Structures.
Proceedings of the 2019 IEEE International Conference on Bioinformatics and Biomedicine, 2019

Using Sequence-Predicted Contacts to Guide Template-free Protein Structure Prediction.
Proceedings of the 10th ACM International Conference on Bioinformatics, 2019

Decoy Ensemble Reduction in Template-free Protein Structure Prediction.
Proceedings of the 10th ACM International Conference on Bioinformatics, 2019

Learning Reduced Latent Representations of Protein Structure Data.
Proceedings of the 10th ACM International Conference on Bioinformatics, 2019

2018
From Optimization to Mapping: An Evolutionary Algorithm for Protein Energy Landscapes.
IEEE ACM Trans. Comput. Biol. Bioinform., 2018

Structure-Guided Protein Transition Modeling with a Probabilistic Roadmap Algorithm.
IEEE ACM Trans. Comput. Biol. Bioinform., 2018

Advances in the Application and Development of Non-Linear Global Optimization Techniques in Computational Structural Biology.
IEEE ACM Trans. Comput. Biol. Bioinform., 2018

Sample-Based Models of Protein Energy Landscapes and Slow Structural Rearrangements.
J. Comput. Biol., 2018

An Energy Landscape Treatment of Decoy Selection in Template-Free Protein Structure Prediction.
Comput., 2018

Deep learning improves antimicrobial peptide recognition.
Bioinform., 2018

Improved Decoy Selection via Machine Learning and Ranking.
Proceedings of the 8th IEEE International Conference on Computational Advances in Bio and Medical Sciences, 2018

Guiding Exploration of Antimicrobial Peptide Space with a Deep Neural Network.
Proceedings of the IEEE International Conference on Bioinformatics and Biomedicine, 2018

Reconstructing and Decomposing Protein Energy Landscapes to Organize Structure Spaces and Reveal Biologically-active States.
Proceedings of the IEEE International Conference on Bioinformatics and Biomedicine, 2018

Analysis of Molecular Structure Data]{Systematic Study of Different Design Decisions in Markov Model-based Analysis of Molecular Structure Data: Extended Abstract.
Proceedings of the 2018 ACM International Conference on Bioinformatics, 2018

Modeling Macromolecular Structures and Motions: Computational Methods for Sampling and Analysis of Energy Landscapes.
Proceedings of the 2018 ACM International Conference on Bioinformatics, 2018

Community Detection for Decoy Selection in Template-free Protein Structure Prediction.
Proceedings of the 2018 ACM International Conference on Bioinformatics, 2018

Modeling the Tertiary Structure of a Multi-domain Protein: Structure Prediction of Multi-domain Proteins.
Proceedings of the 2018 ACM International Conference on Bioinformatics, 2018

2017
Guest Editorial for Special Section on BIBM 2014.
IEEE ACM Trans. Comput. Biol. Bioinform., 2017

Improving Recognition of Antimicrobial Peptides and Target Selectivity through Machine Learning and Genetic Programming.
IEEE ACM Trans. Comput. Biol. Bioinform., 2017

Out of one, many: Exploiting intrinsic motions to explore protein structure spaces.
Proceedings of the 7th IEEE International Conference on Computational Advances in Bio and Medical Sciences, 2017

An evolutionary algorithm to model structural excursions of a protein.
Proceedings of the Genetic and Evolutionary Computation Conference, 2017

Evolutionary search for paths on protein energy landscapes.
Proceedings of the Genetic and Evolutionary Computation Conference, 2017

Modeling protein structural transitions as a multiobjective optimization problem.
Proceedings of the IEEE Conference on Computational Intelligence in Bioinformatics and Computational Biology, 2017

Reconstructing and mining protein energy landscape to understand disease.
Proceedings of the 2017 IEEE International Conference on Bioinformatics and Biomedicine, 2017

Highlights Talks at ACM BCB 2017.
Proceedings of the 8th ACM International Conference on Bioinformatics, 2017

Evolving Conformation Paths to Model Protein Structural Transitions.
Proceedings of the 8th ACM International Conference on Bioinformatics, 2017

Statistical Analysis of Computed Energy Landscapes to Understand Dysfunction in Pathogenic Protein Variants.
Proceedings of the 8th ACM International Conference on Bioinformatics, 2017

ACM-BCB '17 Tutorial: Robotics-inspired Algorithms for Modeling Protein Structures and Motions.
Proceedings of the 8th ACM International Conference on Bioinformatics, 2017

The 2017 Computational Structural Bioinformatics Workshop: CSBW 2017.
Proceedings of the 8th ACM International Conference on Bioinformatics, 2017

2016
Foreword on special issue on robotics methods for structural and dynamic modeling of molecular systems.
Robotica, 2016

A stochastic roadmap method to model protein structural transitions.
Robotica, 2016

Principles and Overview of Sampling Methods for Modeling Macromolecular Structure and Dynamics.
PLoS Comput. Biol., 2016

A Survey of Computational Treatments of Biomolecules by Robotics-Inspired Methods Modeling Equilibrium Structure and Dynamic.
J. Artif. Intell. Res., 2016

Path-based Guidance of an Evolutionary Algorithm in Mapping a Fitness Landscape and its Connectivity.
Proceedings of the Genetic and Evolutionary Computation Conference, 2016

A Novel EA-based Memetic Approach for Efficiently Mapping Complex Fitness Landscapes.
Proceedings of the 2016 on Genetic and Evolutionary Computation Conference, Denver, CO, USA, July 20, 2016

Workshop Evolutionary Computation in Computational Structural Biology 2016 Chairs' Welcome.
Proceedings of the Genetic and Evolutionary Computation Conference, 2016

Women@GECCO 2016 Chairs' Welcome.
Proceedings of the Genetic and Evolutionary Computation Conference, 2016

Sample-based Models of Protein Structural Transitions.
Proceedings of the 7th ACM International Conference on Bioinformatics, 2016

2015
Computational Methods for Exploration and Analysis of Macromolecular Structure and Dynamics.
PLoS Comput. Biol., 2015

Mapping the Conformation Space of Wildtype and Mutant H-Ras with a Memetic, Cellular, and Multiscale Evolutionary Algorithm.
PLoS Comput. Biol., 2015

The 7th Computational Structural Bioinformatics Workshop.
J. Comput. Biol., 2015

idDock+: Integrating Machine Learning in Probabilistic Search for Protein-Protein Docking.
J. Comput. Biol., 2015

A Data-Driven Evolutionary Algorithm for Mapping Multibasin Protein Energy Landscapes.
J. Comput. Biol., 2015

Interleaving Global and Local Search for Protein Motion Computation.
Proceedings of the Bioinformatics Research and Applications - 11th International Symposium, 2015

Evolutionary Algorithms for Protein Structure Modeling.
Proceedings of the Genetic and Evolutionary Computation Conference, 2015

Mapping Multiple Minima in Protein Energy Landscapes with Evolutionary Algorithms.
Proceedings of the Genetic and Evolutionary Computation Conference, 2015

Evolution Strategies for Exploring Protein Energy Landscapes.
Proceedings of the Genetic and Evolutionary Computation Conference, 2015

Evolutionary search strategies for efficient sample-based representations of multiple-basin protein energy landscapes.
Proceedings of the 2015 IEEE International Conference on Bioinformatics and Biomedicine, 2015

Computing transition paths in multiple-basin proteins with a probabilistic roadmap algorithm guided by structure data.
Proceedings of the 2015 IEEE International Conference on Bioinformatics and Biomedicine, 2015

2014
Exploring representations of protein structure for automated remote homology detection and mapping of protein structure space.
BMC Bioinform., 2014

Evolutionary search algorithms for protein modeling: from de novo structure prediction to comprehensive maps of functionally-relevant structures of protein chains and assemblies.
Proceedings of the Genetic and Evolutionary Computation Conference, 2014

A novel method to improve recognition of antimicrobial peptides through distal sequence-based features.
Proceedings of the 2014 IEEE International Conference on Bioinformatics and Biomedicine, 2014

Sampling-based methods for a full characterization of energy landscapes of small peptides.
Proceedings of the 2014 IEEE International Conference on Bioinformatics and Biomedicine, 2014

Knowledge-based search and multi-objective filters: proposed structural models of GPCR dimerization.
Proceedings of the 5th ACM Conference on Bioinformatics, 2014

A multiscale hybrid evolutionary algorithm to obtain sample-based representations of multi-basin protein energy landscapes.
Proceedings of the 5th ACM Conference on Bioinformatics, 2014

2013
Probabilistic Search and Energy Guidance for Biased Decoy Sampling in Ab Initio Protein Structure Prediction.
IEEE ACM Trans. Comput. Biol. Bioinform., 2013

The AAAI-13 Conference Workshops.
AI Mag., 2013

Systematic analysis of global features and model building for recognition of antimicrobial peptides.
Proceedings of the IEEE 3rd International Conference on Computational Advances in Bio and Medical Sciences, 2013

Higher-order representations of protein structure space.
Proceedings of the IEEE 3rd International Conference on Computational Advances in Bio and Medical Sciences, 2013

Off-lattice protein structure prediction with homologous crossover.
Proceedings of the Genetic and Evolutionary Computation Conference, 2013

Binary Response Models for Recognition of Antimicrobial Peptides.
Proceedings of the ACM Conference on Bioinformatics, 2013

Multi-Objective Stochastic Search for Sampling Local Minima in the Protein Energy Surface.
Proceedings of the ACM Conference on Bioinformatics, 2013

Informatics-driven Protein-protein Docking.
Proceedings of the ACM Conference on Bioinformatics, 2013

Protein-protein Docking Using Information from Native Interaction Interfaces.
Proceedings of the ACM Conference on Bioinformatics, 2013

Exploring the Structure Space of Wildtype Ras Guided by Experimental Data.
Proceedings of the ACM Conference on Bioinformatics, 2013

A PCA-guided Search Algorithm to Probe the Conformational Space of the Ras Protein.
Proceedings of the ACM Conference on Bioinformatics, 2013

2012
An Evolutionary Algorithm Approach for Feature Generation from Sequence Data and Its Application to DNA Splice Site Prediction.
IEEE ACM Trans. Comput. Biol. Bioinform., 2012

Guiding Probabilistic Search of the protein conformational Space with Structural Profiles.
J. Bioinform. Comput. Biol., 2012

Guiding protein docking with Geometric and Evolutionary Information.
J. Bioinform. Comput. Biol., 2012

An Evolutionary conservation-Based Method for Refining and Reranking protein Complex Structures.
J. Bioinform. Comput. Biol., 2012

Modeling Structures and Motions of Loops in Protein Molecules.
Entropy, 2012

Basin Hopping as a General and Versatile Optimization Framework for the Characterization of Biological Macromolecules.
Adv. Artif. Intell., 2012

A Spatial EA Framework for Parallelizing Machine Learning Methods.
Proceedings of the Parallel Problem Solving from Nature - PPSN XII, 2012

Physico-chemical features for recognition of antimicrobial peptides.
Proceedings of the 2012 IEEE International Conference on Bioinformatics and Biomedicine Workshops, 2012

An evolutionary framework to sample near-native protein conformations.
Proceedings of the 2012 IEEE International Conference on Bioinformatics and Biomedicine Workshops, 2012

A population-based evolutionary algorithm for sampling minima in the protein energy surface.
Proceedings of the 2012 IEEE International Conference on Bioinformatics and Biomedicine Workshops, 2012

Jumping low, jumping high: Controlling hopping in the protein energy surface.
Proceedings of the 2012 IEEE International Conference on Bioinformatics and Biomedicine Workshops, 2012

Efficient basin hopping in the protein energy surface.
Proceedings of the 2012 IEEE International Conference on Bioinformatics and Biomedicine, 2012

A tree-based search to bias sampling of protein decoy conformations.
Proceedings of the 2012 IEEE International Conference on Bioinformatics and Biomedicine Workshops, 2012

Mapping conformational pathways between known functional protein states.
Proceedings of the 2012 IEEE International Conference on Bioinformatics and Biomedicine Workshops, 2012

A robotics-inspired method to sample conformational paths connecting known functionally-relevant structures in protein systems.
Proceedings of the 2012 IEEE International Conference on Bioinformatics and Biomedicine Workshops, 2012

Sampling low-energy protein-protein configurations with basin hopping.
Proceedings of the 2012 IEEE International Conference on Bioinformatics and Biomedicine Workshops, 2012

A basin hopping algorithm for protein-protein docking.
Proceedings of the 2012 IEEE International Conference on Bioinformatics and Biomedicine, 2012

An evolutionary search framework to efficiently sample local minima in the protein conformational space.
Proceedings of the ACM International Conference on Bioinformatics, 2012

Biased decoy sampling to aid the selection of near-native protein conformations.
Proceedings of the ACM International Conference on Bioinformatics, 2012

2011
In Search of the protein Native State with a Probabilistic Sampling Approach.
J. Bioinform. Comput. Biol., 2011

A Two-Stage Evolutionary Approach for Effective Classification of hypersensitive DNA Sequences.
J. Bioinform. Comput. Biol., 2011

The 5th International Conference on Bio-Inspired Models of Network, Information and Computing Systems (Bionetics 2010) Special Track on Bioinformatics.
J. Bioinform. Comput. Biol., 2011

An evolutionary-based approach for feature generation: Eukaryotic promoter recognition.
Proceedings of the IEEE Congress on Evolutionary Computation, 2011

Populating Local Minima in the Protein Conformational Space.
Proceedings of the IEEE International Conference on Bioinformatics and Biomedicine, 2011

Protein conformational search with geometric projections.
Proceedings of the 2011 IEEE International Conference on Bioinformatics and Biomedicine Workshops, 2011

Assembly of low-energy protein conformations with heterogeneous fragments.
Proceedings of the 2011 IEEE International Conference on Bioinformatics and Biomedicine Workshops, 2011

Protein docking with information on evolutionary conserved interfaces.
Proceedings of the 2011 IEEE International Conference on Bioinformatics and Biomedicine Workshops, 2011

Refinement of docked protein complex structures using evolutionary traces.
Proceedings of the 2011 IEEE International Conference on Bioinformatics and Biomedicine Workshops, 2011

2010
Guiding the Search for Native-like Protein Conformations with an Ab-initio Tree-based Exploration.
Int. J. Robotics Res., 2010

Selecting predictive features for recognition of hypersensitive sites of regulatory genomic sequences with an evolutionary algorithm.
Proceedings of the Genetic and Evolutionary Computation Conference, 2010

Using evolutionary computation to improve SVM classification.
Proceedings of the IEEE Congress on Evolutionary Computation, 2010

Enhancing Sampling of the Conformational Space Near the Protein Native State.
Proceedings of the Bio-Inspired Models of Network, Information, and Computing Systems, 2010

Feature and Kernel Evolution for Recognition of Hypersensitive Sites in DNA Sequences.
Proceedings of the Bio-Inspired Models of Network, Information, and Computing Systems, 2010

2009
An Ab-initio tree-based exploration to enhance sampling of low-energy protein conformations.
Proceedings of the Robotics: Science and Systems V, University of Washington, Seattle, USA, June 28, 2009

Automated Design of Assemblable, Modular, Synthetic Chromosomes.
Proceedings of the Parallel Processing and Applied Mathematics, 2009

2007
Sampling Conformation Space to Model Equilibrium Fluctuations in Proteins.
Algorithmica, 2007


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