activity
20192026
most citedInterpretable Deep Graph Generation with Node-Edge Co-Disentanglement

29 citations · 56 across the 16 of their papers we have counts for

collaborators

16 papers

cs.CY2026

From Understanding to Creation: A Prerequisite-Free AI Literacy Course with Technical Depth Across Majors

Amarda Shehu

Most AI literacy courses for non-technical undergraduates emphasize conceptual breadth over technical depth. This paper describes UNIV 182, a prerequisite-free course at George Mas…

cs.CY2025

Can Consumer Chatbots Reason? A Student-Led Field Experiment Embedded in an "AI-for-All" Undergraduate Course

Amarda Shehu, Adonyas Ababu, Asma Akbary +34

Claims about whether large language model (LLM) chatbots "reason" are typically debated using curated benchmarks and laboratory-style evaluation protocols. This paper offers a comp…

cs.AI2025

Foundation Models for AI-Enabled Biological Design

Asher Moldwin, Amarda Shehu

This paper surveys foundation models for AI-enabled biological design, focusing on recent developments in applying large-scale, self-supervised models to tasks such as protein engi…

cs.CL2024

Birdie: Advancing State Space Models with Reward-Driven Objectives and Curricula

Sam Blouir, Jimmy T. H. Smith, Antonios Anastasopoulos +1

Efficient state space models (SSMs), such as linear recurrent neural networks and linear attention variants, offer computational advantages over Transformers but struggle with task…

cs.LG2024

Accounting for Work Zone Disruptions in Traffic Flow Forecasting

Yuanjie Lu, Amarda Shehu, David Lattanzi

Traffic speed forecasting is an important task in intelligent transportation system management. The objective of much of the current computational research is to minimize the diffe…

cs.LG2024

Beyond Single-Model Views for Deep Learning: Optimization versus Generalizability of Stochastic Optimization Algorithms

Toki Tahmid Inan, Mingrui Liu, Amarda Shehu

Despite an extensive body of literature on deep learning optimization, our current understanding of what makes an optimization algorithm effective is fragmented. In particular, we…

cs.LG2022★ 5 cited

Multi-objective Deep Data Generation with Correlated Property Control

Shiyu Wang, Xiaojie Guo, Xuanyang Lin +11

Developing deep generative models has been an emerging field due to the ability to model and generate complex data for various purposes, such as image synthesis and molecular desig…

cs.LG2022★ 3 cited

Multiple Instance Learning for Detecting Anomalies over Sequential Real-World Datasets

Parastoo Kamranfar, David Lattanzi, Amarda Shehu +1

Detecting anomalies over real-world datasets remains a challenging task. Data annotation is an intensive human labor problem, particularly in sequential datasets, where the start a…

cs.LG2022★ 2 cited

Transformer Neural Networks Attending to Both Sequence and Structure for Protein Prediction Tasks

Anowarul Kabir, Amarda Shehu

The increasing number of protein sequences decoded from genomes is opening up new avenues of research on linking protein sequence to function with transformer neural networks. Rece…

cs.LG2022

Interpretable Molecular Graph Generation via Monotonic Constraints

Yuanqi Du, Xiaojie Guo, Amarda Shehu +1

Designing molecules with specific properties is a long-lasting research problem and is central to advancing crucial domains such as drug discovery and material science. Recent adva…

cs.LG2021★ 3 cited

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

Yuanjie Lu, Parastoo Kamranfar, David Lattanzi +1

Forecasting traffic flows is a central task in intelligent transportation system management. Graph structures have shown promise as a modeling framework, with recent advances in sp…

stat.ML2021

Space Partitioning and Regression Mode Seeking via a Mean-Shift-Inspired Algorithm

Wanli Qiao, Amarda Shehu

The mean shift (MS) algorithm is a nonparametric method used to cluster sample points and find the local modes of kernel density estimates, using an idea based on iterative gradien…

q-bio.BM2020

Decoy Selection for Protein Structure Prediction Via Extreme Gradient Boosting and Ranking

Nasrin Akhter, Gopinath Chennupati, Hristo Djidjev +1

Identifying one or more biologically-active/native decoys from millions of non-native decoys is one of the major challenges in computational structural biology. The extreme lack of…

cs.LG2020★ 29 cited

Interpretable Deep Graph Generation with Node-Edge Co-Disentanglement

Xiaojie Guo, Liang Zhao, Zhao Qin +3

Disentangled representation learning has recently attracted a significant amount of attention, particularly in the field of image representation learning. However, learning the dis…

q-bio.BM2020★ 14 cited

Generating Tertiary Protein Structures via an Interpretative Variational Autoencoder

Xiaojie Guo, Yuanqi Du, Sivani Tadepalli +2

Much scientific enquiry across disciplines is founded upon a mechanistic treatment of dynamic systems that ties form to function. A highly visible instance of this is in molecular…

q-bio.BM2019

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

Kevin Molloy, Erion Plaku, Amarda Shehu

Motivation: Due to the central role of protein structure in molecular recognition, great computational efforts are devoted to modeling protein structures and motions that mediate s…