Artificial Intelligence and Robotics Commons^™

Coldstartcpi: Induced-Fit Theory-Guided Dti Predictive Model With Improved Generalization Performance, Qichang Zhao, Haochen Zhao, Linyuan Gao, Kai Zheng, Yajie Li, Qiao Ling, Jing Tang, Yaohang Li, Jianxin Wang

Computer Science Faculty Publications

Predicting compound-protein interactions (CPIs) plays a crucial role in drug discovery. Traditional methods, based on the key-lock theory and rigid docking, often fail with novel compounds and proteins due to their inability to account for molecular flexibility and the high sparsity of CPI data. Here, we introduce ColdstartCPI, a framework inspired by induced-fit theory, which leverages unsupervised pre-training features and a Transformer module to learn both compound and protein characteristics. ColdstartCPI treats proteins and compounds as flexible molecules during inference, aligning with biological insights. It outperforms state-of-the-art sequence-based models, particularly for unseen compounds and proteins, and shows strong generalization capability …

Optiselect And Enshap: Integrating Machine Learning And Game Theory For Ischemic Stroke Prediction, Pritam Chakraborty, Anjan Bandyopadhyay, Sricheta Parul, Sujata Swain, Partha Sarathy Banerjee, Tapas Si, Hong Qin, Saurav Mallik

Computer Science Faculty Publications

Stroke analysis using game theory and machine learning techniques. The study investigates the use of the Shapley value in predictive ischemic brain stroke analysis. Initially, preference algorithms identify the most important features in various machine learning models, including logistic regression, K-nearest neighbor, decision tree, support vector machine (linear kernel), support vector machine ( RBF kernel), neural networks, etc. For each sample, the top 3, 4, and 5 features are evaluated and selected to evaluate their performance. The Shapley value method was used to rank the models using their best four features based on their predictive capabilities. As a result, better-performing …

Sting: A Stealthy Backdoor Attack On Gnn-Based Malicious Domain Detection Via Dns Perturbations, Muhammad Anan, Mahmoud Nazzal, Abdallah Khreishah, Issa Khalil, Nhathai Phan, Ahmad Sawalmeh

Computer Science Faculty Publications

Detecting malicious Internet domains is essential for safeguarding against various online threats. The current approach to detecting malicious domains (MDD) employs a graph neural network (GNN) method, which uses DNS logs to construct heterogeneous graphs for determining the maliciousness of unknown domains. Despite its success, this method is vulnerable to data poisoning attacks where an adversary can manipulate specific graph nodes to implant a backdoor into the model during training. To showcase the vulnerability, we propose a stealthy trigger injection attack on node features and graph structure in MDD, dubbed (STING). The attacker carefully manipulates selected features and edges of …

A Survey On Deep Learning For Drug-Target Binding Prediction: Models, Benchmarks, Evaluation, And Case Studies, Kusal Debnath, Pratip Rana, Preetam Ghosh

Computer Science Faculty Publications

Conventional drug discovery is expensive, time-consuming, and prone to failure. Artificial intelligence has become a potent substitute over the last decade, providing strong answers to challenging biological issues in this field. Among these difficulties, drug-target binding (DTB) is a key component of drug discovery techniques. In this context, drug-target affinity and drug–target interaction are complementary and essential frameworks that work together to improve our comprehension of DTB dynamics. In this work, we thoroughly analyze the most recent deep learning models, popular benchmark datasets, and assessment metrics for DTB prediction. We look at the paradigm shift in the development of drug …

Geometric Gnns For Charged Particle Tracking At Gluex, Ahmed Hossam Mohammed, Kishansingh Rajput, Simon Taylor, Denis Furletov, Sergey Furletov, Malachi Schram

Computer Science Faculty Publications

Nuclear physics experiments are aimed at uncovering the fundamental building blocks of matter. The experiments involve high-energy collisions that produce complex events with many particle trajectories. Tracking charged particles resulting from collisions in the presence of a strong magnetic field is critical to enable the reconstruction of particle trajectories and precise determination of interactions. It is traditionally achieved through combinatorial approaches that scale worse than linearly as the number of hits grows. Since particle hit data naturally form a point cloud and can be structured as graphs, graph neural networks (GNNs) emerge as an intuitive and effective choice for this …

Normalizing Images In Various Weather And Lighting Conditions Using Colorpix2pix Generative Adversarial Network, Sanjida Tasnim, Ashif Mahmud Mostafa, Azmain Morshed, Namreen Shaiyaz, Shakib Mahmud Dipto, Saad Aloteibi, Mohammad Ali Moni, Md. Golam Rabiul Alam, Md. Ashraful Alam

Computer Science Faculty Publications

Autonomous vehicles (AVs) are widely regarded as the future of transportation due to their tremendous benefits and user comfort. However, the AVs have been struggling with very crucial challenges, such as achieving reliable accuracy in object detection as well as faster computation required for quick decision-making. In recent years, perception systems in driverless cars have been significantly enhanced, mainly due to advances in deep-learning-based object detection systems. However, these perception systems are still heavily affected by environmental variables, such as changes in illumination, refractive interference, and adverse weather conditions, which may compromise their reliability and safety. This research proposes an …

From Philosophy To Nlu: Evolving Definitions With Research Hypotheses, Jian Wu, Sarah Rajtmajer

Computer Science Faculty Publications

Over the past decades, alongside advancements in natural language processing, significant attention has been paid to training models to automatically extract, understand, test, and generate hypotheses in open and scientific domains. However, interpretations of the term hypothesis for various natural language understanding (NLU) tasks have migrated from traditional definitions in the natural, social, and formal sciences. Even within NLU, we observe differences defining hypotheses across literature. In this paper, we overview and delineate various definitions of hypothesis. Especially, we discern the nuances of definitions across recently published NLU tasks. We highlight the importance of well-structured and well-defined hypotheses, particularly as …

Adapting Online Customer Reviews For Blind Users: A Case Study Of Restaurant Reviews, Mohan Sunkara, Akshay Kolgar Nayak, Sandeep Kalari, Yash Prakash, Sampath Jayarathna, Hae-Na Lee, Vikas Ashok

Computer Science Faculty Publications

Online reviews have become an integral aspect of consumer decision-making on e-commerce websites, especially in the restaurant industry. Unlike sighted users who can visually skim through the reviews, perusing reviews remains challenging for blind users, who rely on screen reader assistive technology that supports predominantly one-dimensional narration of content via keyboard shortcuts. In an interview study, we uncovered numerous pain points of blind screen reader users with online restaurant reviews, notably, the listening fatigue and frustration after going through only the first few reviews. To address these issues, we developed QuickCue assistive tool that performs aspect-focused sentiment-driven summarization to reorganize …

Decode The Workload: Training Deep Learning Models For Efficient Compute Cluster Representation, Ahmed Hossam Mohammed, Mark Jones, Diana Mcspadden, Malachi Schram, Bryan Hess, Kishansingh Rajput

Computer Science Faculty Publications

In this study, we address the mounting challenge of monitoring high throughput computing clusters running computationally intensive jobs, which increasingly strains system administrators. We develop autoencoders that analyze traces of Linux kernel CPU metrics to capture salient system features by producing robust compressed embeddings for various downstream tasks. In addition, we employ graph neural networks to incorporate contextual information from surrounding CPUs and assess their performance. We also demonstrate the enhanced job differentiation achieved by increasing the sampling rate of these traces. Our models are evaluated based on their ability to generate meaningful latent representations, detect anomalies, and distinguish between …

From Philosophy To Nlu: Evolving Definitions Of Research Hypotheses, Jian Wu, Sarah Rajtmajer

Computer Science Faculty Publications

Over the past decades, alongside advancements in natural language processing, significant attention has been paid to training models to automatically extract, understand, test, and generate hypotheses in open and scientific domains. However, interpretations of the term hypothesis for various natural language understanding (NLU) tasks have migrated from traditional definitions in the natural, social, and formal sciences. Even within NLU, we observe differences defining hypotheses across literature. In this paper, we overview and delineate various definitions of hypothesis. Especially, we discern the nuances of definitions across recently published NLU tasks. We highlight the importance of well-structured and well-defined hypotheses, particularly as …

Neural Topic Modeling Via Contextual And Graph Information Fusion, Jiyuan Liu, Jiaxing Yan, Chunjiang Zhu, Xingyu Liu, Qing Li, Yanghui Rao

Computer Science Faculty Publications

Topic modeling is a powerful unsupervised tool for knowledge discovery. However, existing work struggles with generating limited-quality topics that are uninformative and incoherent, which hindering interpretable insights from managing textual data. In this paper, we improve the original variational autoencoder framework by incorporating contextual and graph information to address the above issues. First, the encoder utilizes topic fusion techniques to combine contextual and bag-of-words information well, and meanwhile exploits the constraints of topic alignment and topic sharpening to generate informative topics. Second, we develop a simple word co-occurrence graph information fusion strategy that efficiently increases topic coherence. On three benchmark …

Adversarially Attacking Graph Properties And Sparsification In Graph Learning, Chunjiang Zhu, Blake Gaines, Jing Deng, Jinbo Bi

Computer Science Faculty Publications

Graph neural networks and graph transformers explicitly or implicitly rely on fundamental properties of the underlying graph, such as spectral properties and shortest-path distances. However, it is still not clear how these graph properties are vulnerable to adversarial attacks and what impacts this has on the downstream graph learning. Moreover, while graph sparsification has been used to improve computational cost of learning over graphs, its susceptibility to adversarial attacks has not been studied. In this paper, we study adversarial attacks on graph properties and graph sparsification and their impacts on downstream graph learning, paving the way for how to protect …

S²Il: Structurally Stable Incremental Learning, S. Balasubramanian, P. Yedu Krishna, Talasu Sai Sriram, M. Sai Subramaniam, Manepalli Pranav Phanindra Sai, Ravi Mukkamala

Computer Science Faculty Publications

Feature Distillation (FD) strategies are proven to be effective in mitigating Catastrophic Forgetting (CF) seen in Class Incremental Learning (CIL). However, current FD approaches enforce strict alignment of feature magnitudes and directions across incremental steps, limiting the model’s ability to adapt to new knowledge. In this paper, we propose Structurally Stable Incremental Learning (S²IL), a FD method for CIL that mitigates forgetting by focusing on preserving the overall spatial patterns of features which promote flexible (plasticity) yet stable representations that preserve old knowledge (stability). We also demonstrate that our proposed method S²IL achieves strong incremental accuracy and outperforms other FD …

Energy-Based Deep Incomplete Multi-View Clustering, Ziyu Wang, Yiming Du, Rui Ning, Lusi Li

Computer Science Faculty Publications

Incomplete multi-view clustering (IMVC) deals with real-world scenarios where certain views are partially missing, posing significant challenges to effective clustering. Most existing IMVC approaches face a trade-off: imputation-free methods suffer from information bias and imbalance, while full-imputation methods risk introducing and propagating noise. To overcome these limitations, we propose Energy-Based Deep Incomplete Multi-View Clustering (Energy-DIMC), a novel selective-imputation framework that leverages energy-based models (EBMs) to guide reliable imputations and robust clustering. EBMs assess data compatibility by assigning lower energy to more coherent structures, effectively modeling complex inter-view and inter-sample dependencies. Inspired by EBMs, Energy-DIMC integrates four key components: 1) a …

Delivery Of Medical Supplies To Remote Locations Via Unmanned Aerial Vehicles: Approaches, Challenges, And Solutions, Meshari Aljohani, Ravi Mukkamala, Stephanie Olariu

Computer Science Faculty Publications

Unmanned Aerial Vehicles (UAVs) are becoming more important in improving healthcare logistics, in particular due to their cost effectiveness, minimized risk, and versatile operational capabilities. This study explores the deployment of autonomous UAVs to deliver medical supplies to remote areas. Advances in ledger technology, smart contracts, and machine learning have transformed tasks previously managed by human teams or manually controlled UAVs into fully autonomous missions. We present a comprehensive analysis of the challenges and initial solutions vital for the effective use of autonomous UAVs in the delivery of medical supplies. In addition, we propose a machine-learning model to optimize UAV …

Privshap: A Finer-Granularity Network Linearization Method For Private Inference, Xiangrui Xu, Zhenzhen Wang, Rui Ning, Chunsheng Xiu, Hongyi Wu

Computer Science Faculty Publications

Private inference applies cryptographic techniques like homomorphic encryption, garble circuit and secret sharing to keep both sides privacy in a client-server setting during inference. It is often hindered by the high communication overheads, especially at non-linear activation layers such as ReLU. Hence ReLU pruning has been widely recognized as an efficient way to accelerate private inference. Existing approaches to ReLU pruning typically rely on coarse hypothesis, which assume an inverse correlation between the importance of ReLU and linear layers or shallow activation layers have less importance for universal models, to assign the budgets according to the layer while preserving the …

Prompt-Based Learning For Few-Shot Class-Incremental Learning, Jicheng Yuan, Hang Chen, Songsong Tian, Wenfa Li, Lusi Li, Enhao Ning, Yugui Zhang

Computer Science Faculty Publications

Few-Shot Class-Incremental Learning (FSCIL) aims to enable deep neural networks to incrementally learn new tasks from a limited number of labeled samples, while retaining knowledge of previously learned tasks, mimicking the way humans learn. In this paper, we introduce a novel approach called Prompt Learning for FSCIL (PL-FSCIL), which leverages the power of prompts alongside a pre-trained Vision Transformer (ViT) model to effectively tackle the challenges of FSCIL. Our approach explores the feasibility of directly applying visual prompts in FSCIL, using a simplified model architecture. PL-FSCIL integrates two key prompts: the Domain Prompt and the FSCIL Prompt. Both are tensors …

An Analytical Review Of Preprocessing Techniques In Bengali Natural Language Processing, Sovon Chakraborty, Protiva Das, Shakib Mahmud Dipto, Md Aktaruzzaman Pramanik, Jannatun Noor

Computer Science Faculty Publications

Research in Bengali Natural Language Processing (BNLP) is rapidly expanding. Despite being one of the most widely spoken languages in the world, BNLP research remains insufficient, particularly in Bengali speech recognition. The languages rich morphology, agglutinative structure, and diverse dialects make text and speech processing especially challenging. However, these challenges can be addressed with effective preprocessing techniques. Various organizations in Bangladesh and West Bengal are integrating Natural Language Processing (NLP) into their services, but without a thorough understanding of preprocessing, these implementations remain incomplete. Applying proper preprocessing techniques to the Bengali language will serve as a foundation for developing robust …

Can Llms Beat Humans On Discerning Human-Written And Llm-Generated Science News, Dominik Soós, Meng Jiang, Jian Wu

Computer Science Faculty Publications

Science news is increasingly important in connecting scientists and the public by sharing discoveries and innovations. With the rise of large language models (LLMs), there is potential to automate science news creation, but concerns exist about the quality of LLM-generated news versus human-written news. This paper explores whether LLMs can outperform humans in distinguishing between human-written and LLM-generated news. Inspired by the Chain-of-Thought prompting method, we designed a simple yet effective variant called Guided Few-shot (GFS), which encodes the characteristics of news of two types with examples. Our experiments indicated that GFS with just a single example effectively boosted the …

Deepssetracer 2.0: Improved Deep Learning Model Performance For Protein Secondary Structure Segmentation From Cryo-Em Maps, Bryan Hawickhorst, Thu Nguyen, Willy Wriggers, Jiangwen Sun, Jing He

Computer Science Faculty Publications

DeepSSETracer is a method for segmenting protein secondary structure from medium-resolution (5-10Å) cryogenic electron microscopy (cryo-EM) density maps. We conducted experiments and ablation studies to examine the effects of normalization methods, max-pooling, activation functions, and loss calculation region on DeepSSETracer. By combining multiple technical improvements, the performance of the new version, DeepSSETracer 2.0, was significantly enhanced compared to DeepSSETracer 1.1. On a set of 77 test cases, the weighted average per-voxel F1 score increased from 62.1% to 70.3% for helix detection, and from 47.8% to 62.5% for β-sheet detection. While each of the five modifications in the network enhanced the …

Benchmarking And Improving Foundation Model Dietary Estimates From Meal Images, Yongcheng Mu, Jiangwen Sun, Jing He

Computer Science Faculty Publications

Accurate quantifying dietary contents, such as calories, proteins, carbohydrates, and fats, from an image of a meal plate is vital for managing diabetes. Recently, Large Multimodal Models (LMMs) have excelled in complex vision-language tasks due to their use of very large, highly diverse data. This study benchmarked the use of seven LMMs that include full and lightweight models of GPT, Gemini, and Llama for nutrition estimation based on Google's Nutrition5k dataset and our own phone-collected DonateAndLearn dataset. We analyzed the performance of LMMs and the RGB-D fusion model, in which the RGB-D model was specifically trained using Nutrition5k data. On …

Understanding Pii Leakage In Large Language Models: A Systematic Survey, Shuai Cheng, Zhao Li, Shu Meng, Mengxia Ren, Haitao Xu, Shuai Hao, Chuan Yue, Fang Zhang

Computer Science Faculty Publications

Large Language Models (LLMs) have demonstrated exceptional success across a variety of tasks, particularly in natural language processing, leading to their growing integration into numerous facets of daily life. However, this widespread deployment has raised substantial privacy concerns, especially regarding personally identifiable information (PII), which can be directly associated with specific individuals. The leakage of such information presents significant real-world privacy threats. In this paper, we conduct a systematic investigation into existing research on PII leakage in LLMs, encompassing commonly utilized PII datasets, evaluation metrics, and current studies on both PII leakage attacks and defensive strategies. Finally, we identify unresolved …

Humans Vs. Llms On Open Domain Scientific Claim Verification: A Baseline Study, Benjamin Curtis, Stefania Dzhaman, Matthew Maisonave, Jian Wu

Computer Science Faculty Publications

Verifying scientific claims is challenging for the general public because most people lack domain knowledge. Manual verification by subject domain experts is accurate, but it is obviously not scalable to meet the rising number of scientific claims on the Web. Whether the emerging large language models and large reasoning models can be used for scientific claim verification, and how their performances compare to humans, are still research questions. To this end, we developed a new benchmark MSVEC2 that consists of 138 claims from credible fact verification websites and science news outlets. Two tasks were given to both human and LLM …

Visualizing Routes With Ai-Discovered Street-View Patterns, Tsung Heng Wu, Md Amiruzzaman, Ye Zhao, Deepshikha Bhati, Jing Yang

Computer Science Faculty Publications

Street-level visual appearances play an important role in studying social systems, such as understanding the built environment, driving routes, and associated social and economic factors. It has not been integrated into a typical geographical visualization interface (e.g., map services) for planning driving routes. In this article, we study this new visualization task with several new contributions. First, we experiment with a set of AI techniques and propose a solution of using semantic latent vectors for quantifying visual appearance features. Second, we calculate image similarities among a large set of street-view images and then discover spatial imagery patterns. Third, we integrate …

A Survey On Few-Shot Class-Incremental Learning, Songsong Tian, Lusi Li, Weijun Li, Hang Ran, Xin Ning, Prayag Tiwari

Computer Science Faculty Publications

Large deep learning models are impressive, but they struggle when real-time data is not available. Few-shot class-incremental learning (FSCIL) poses a significant challenge for deep neural networks to learn new tasks from just a few labeled samples without forgetting the previously learned ones. This setup can easily leads to catastrophic forgetting and overfitting problems, severely affecting model performance. Studying FSCIL helps overcome deep learning model limitations on data volume and acquisition time, while improving practicality and adaptability of machine learning models. This paper provides a comprehensive survey on FSCIL. Unlike previous surveys, we aim to synthesize few-shot learning and incremental …

Robots Still Outnumber Humans In Web Archives In 2019, But Less Than In 2015 And 2012, Himarsha R. Jayanetti, Kritika Garg, Sawood Alam, Michael L. Nelson, Michele C. Weigle

Computer Science Faculty Publications

The significance of the web and the crucial role of web archives in its preservation highlight the necessity of understanding how users, both human and robot, access web archive content, and how best to satisfy this disparate needs of both types of users. To identify robots and humans in web archives and analyze their respective access patterns, we used the Internet Archive’s (IA) Wayback Machine access logs from 2012, 2015, and 2019, as well as Arquivo.pt’s (Portuguese Web Archive) access logs from 2019. We identified user sessions in the access logs and classified those sessions as human or robot based …

Autonomous Strike Uavs In Support Of Homeland Security Missions: Challenges And Preliminary Solutions, Meshari Aljohani, Ravi Mukkamala, Stephan Olariu

Computer Science Faculty Publications

Unmanned Aerial Vehicles (UAVs) are becoming crucial tools in modern homeland security applications, primarily because of their cost-effectiveness, risk reduction, and ability to perform a wider range of activities. This study focuses on the use of autonomous UAVs to conduct, as part of homeland security applications, strike missions against high-value terrorist targets. Owing to developments in ledger technology, smart contracts, and machine learning, activities formerly carried out by professionals or remotely flown UAVs are now feasible. Our study provides the first in-depth analysis of the challenges and preliminary solutions for the successful implementation of an autonomous UAV mission. Specifically, we …

Mosaic: A Prune-And-Assemble Approach For Efficient Model Pruning In Privacy-Preserving Deep Learning, Yifei Cai, Qiao Zhang, Rui Ning, Chunsheng Xin, Hongyi Wu

Computer Science Faculty Publications

To enable common users to capitalize on the power of deep learning, Machine Learning as a Service (MLaaS) has been proposed in the literature, which opens powerful deep learning models of service providers to the public. To protect the data privacy of end users, as well as the model privacy of the server, several state-of-the-art privacy-preserving MLaaS frameworks have also been proposed. Nevertheless, despite the exquisite design of these frameworks to enhance computation efficiency, the computational cost remains expensive for practical applications. To improve the computation efficiency of deep learning (DL) models, model pruning has been adopted as a strategic …

Identifying New Cancer Genes Based On The Integration Of Annotated Gene Sets Via Hypergraph Neural Networks, Chao Deng, Hong-Dong Li, Li-Shen Zhang, Yiwei Liu, Yaohang Li, Jianxin Wang

Computer Science Faculty Publications

Motivation

Identifying cancer genes remains a significant challenge in cancer genomics research. Annotated gene sets encode functional associations among multiple genes, and cancer genes have been shown to cluster in hallmark signaling pathways and biological processes. The knowledge of annotated gene sets is critical for discovering cancer genes but remains to be fully exploited.

Results

Here, we present the DIsease-Specific Hypergraph neural network (DISHyper), a hypergraph-based computational method that integrates the knowledge from multiple types of annotated gene sets to predict cancer genes. First, our benchmark results demonstrate that DISHyper outperforms the existing state-of-the-art methods and highlight the advantages of …

Charged Track Reconstruction With Artificial Intelligence For Clas12, Gagik Gavalian, Polykarpos Thomadakis, Angelos Angelopoulos, Nikos Chrisochoides

Computer Science Faculty Publications

In this paper, we present the results of charged particle track reconstruction in CLAS12 using artificial intelligence. In our approach, we use neural networks working together to identify tracks based on the raw signals in the Drift Chambers. A Convolutional Auto-Encoder is used to de-noise raw data by removing the hits that do not satisfy the patterns for tracks, and second Multi-Layer Perceptron is used to identify tracks from combinations of clusters in the drift chambers. Our method increases the tracking efficiency by 50% for multi-particle final states already conducted experiments. The de-noising results indicate that future experiments can run …