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Federated Learning in Chemical Engineering: A Tutorial on a Framework for Privacy-Preserving Collaboration Across Distributed Data Sources

arXiv.org Artificial Intelligence

Federated Learning (FL) is a decentralized machine learning approach that has gained attention for its potential to enable collaborative model training across clients while protecting data privacy, making it an attractive solution for the chemical industry. This work aims to provide the chemical engineering community with an accessible introduction to the discipline. Supported by a hands-on tutorial and a comprehensive collection of examples, it explores the application of FL in tasks such as manufacturing optimization, multimodal data integration, and drug discovery while addressing the unique challenges of protecting proprietary information and managing distributed datasets. The tutorial was built using key frameworks such as $\texttt{Flower}$ and $\texttt{TensorFlow Federated}$ and was designed to provide chemical engineers with the right tools to adopt FL in their specific needs. We compare the performance of FL against centralized learning across three different datasets relevant to chemical engineering applications, demonstrating that FL will often maintain or improve classification performance, particularly for complex and heterogeneous data. We conclude with an outlook on the open challenges in federated learning to be tackled and current approaches designed to remediate and improve this framework.


Machine-agnostic Automated Lumbar MRI Segmentation using a Cascaded Model Based on Generative Neurons

arXiv.org Artificial Intelligence

Automated lumbar spine segmentation is very crucial for modern diagnosis systems. In this study, we introduce a novel machine-agnostic approach for segmenting lumbar vertebrae and intervertebral discs from MRI images, employing a cascaded model that synergizes an ROI detection and a Self-organized Operational Neural Network (Self-ONN)-based encoder-decoder network for segmentation. Addressing the challenge of diverse MRI modalities, our methodology capitalizes on a unique dataset comprising images from 12 scanners and 34 subjects, enhanced through strategic preprocessing and data augmentation techniques. The YOLOv8 medium model excels in ROI extraction, achieving an excellent performance of 0.916 mAP score. Significantly, our Self-ONN-based model, combined with a DenseNet121 encoder, demonstrates excellent performance in lumbar vertebrae and IVD segmentation with a mean Intersection over Union (IoU) of 83.66%, a sensitivity of 91.44%, and Dice Similarity Coefficient (DSC) of 91.03%, as validated through rigorous 10-fold cross-validation. This study not only showcases an effective approach to MRI segmentation in spine-related disorders but also sets the stage for future advancements in automated diagnostic tools, emphasizing the need for further dataset expansion and model refinement for broader clinical applicability.


Circuit design in biology and machine learning. II. Anomaly detection

arXiv.org Artificial Intelligence

Anomaly detection is a well-established field in machine learning, identifying observations that deviate from typical patterns. The principles of anomaly detection could enhance our understanding of how biological systems recognize and respond to atypical environmental inputs. However, this approach has received limited attention in analyses of cellular and physiological circuits. This study builds on machine learning techniques -- such as dimensionality reduction, boosted decision trees, and anomaly classification -- to develop a conceptual framework for biological circuits. One problem is that machine learning circuits tend to be unrealistically large for use by cellular and physiological systems. I therefore focus on minimal circuits inspired by machine learning concepts, reduced to cellular scale. Through illustrative models, I demonstrate that small circuits can provide useful classification of anomalies. The analysis also shows how principles from machine learning -- such as temporal and atemporal anomaly detection, multivariate signal integration, and hierarchical decision-making cascades -- can inform hypotheses about the design and evolution of cellular circuits. This interdisciplinary approach enhances our understanding of cellular circuits and highlights the universal nature of computational strategies across biological and artificial systems.


Comparison of Tiny Machine Learning Techniques for Embedded Acoustic Emission Analysis

arXiv.org Artificial Intelligence

This paper compares machine learning approaches with different input data formats for the classification of acoustic emission (AE) signals. AE signals are a promising monitoring technique in many structural health monitoring applications. Machine learning has been demonstrated as an effective data analysis method, classifying different AE signals according to the damage mechanism they represent. These classifications can be performed based on the entire AE waveform or specific features that have been extracted from it. However, it is currently unknown which of these approaches is preferred. With the goal of model deployment on resource-constrained embedded Internet of Things (IoT) systems, this work evaluates and compares both approaches in terms of classification accuracy, memory requirement, processing time, and energy consumption. To accomplish this, features are extracted and carefully selected, neural network models are designed and optimized for each input data scenario, and the models are deployed on a low-power IoT node. The comparative analysis reveals that all models can achieve high classification accuracies of over 99\%, but that embedded feature extraction is computationally expensive. Consequently, models utilizing the raw AE signal as input have the fastest processing speed and thus the lowest energy consumption, which comes at the cost of a larger memory requirement.


FodFoM: Fake Outlier Data by Foundation Models Creates Stronger Visual Out-of-Distribution Detector

arXiv.org Artificial Intelligence

Out-of-Distribution (OOD) detection is crucial when deploying machine learning models in open-world applications. The core challenge in OOD detection is mitigating the model's overconfidence on OOD data. While recent methods using auxiliary outlier datasets or synthesizing outlier features have shown promising OOD detection performance, they are limited due to costly data collection or simplified assumptions. In this paper, we propose a novel OOD detection framework FodFoM that innovatively combines multiple foundation models to generate two types of challenging fake outlier images for classifier training. The first type is based on BLIP-2's image captioning capability, CLIP's vision-language knowledge, and Stable Diffusion's image generation ability. Jointly utilizing these foundation models constructs fake outlier images which are semantically similar to but different from in-distribution (ID) images. For the second type, GroundingDINO's object detection ability is utilized to help construct pure background images by blurring foreground ID objects in ID images. The proposed framework can be flexibly combined with multiple existing OOD detection methods. Extensive empirical evaluations show that image classifiers with the help of constructed fake images can more accurately differentiate real OOD images from ID ones. New state-of-the-art OOD detection performance is achieved on multiple benchmarks. The code is available at \url{https://github.com/Cverchen/ACMMM2024-FodFoM}.


Test Security in Remote Testing Age: Perspectives from Process Data Analytics and AI

arXiv.org Artificial Intelligence

The COVID-19 pandemic has accelerated the implementation and acceptance of remotely proctored high-stake assessments. While the flexible administration of the tests brings forth many values, it raises test security-related concerns. Meanwhile, artificial intelligence (AI) has witnessed tremendous advances in the last five years. Many AI tools (such as the very recent ChatGPT) can generate high-quality responses to test items. These new developments require test security research beyond the statistical analysis of scores and response time. Data analytics and AI methods based on clickstream process data can get us deeper insight into the test-taking process and hold great promise for securing remotely administered high-stakes tests. This chapter uses real-world examples to show that this is indeed the case.


STEP: Spatial Temporal Graph Convolutional Networks for Emotion Perception from Gaits

arXiv.org Artificial Intelligence

We present a novel classifier network called STEP, to classify perceived human emotion from gaits, based on a Spatial Temporal Graph Convolutional Network (ST-GCN) architecture. Given an RGB video of an individual walking, our formulation implicitly exploits the gait features to classify the emotional state of the human into one of four emotions: happy, sad, angry, or neutral. We use hundreds of annotated real-world gait videos and augment them with thousands of annotated synthetic gaits generated using a novel generative network called STEP-Gen, built on an ST-GCN based Conditional Variational Autoencoder (CVAE). We incorporate a novel push-pull regularization loss in the CVAE formulation of STEP-Gen to generate realistic gaits and improve the classification accuracy of STEP. We also release a novel dataset (E-Gait), which consists of $2,177$ human gaits annotated with perceived emotions along with thousands of synthetic gaits. In practice, STEP can learn the affective features and exhibits classification accuracy of 89% on E-Gait, which is 14 - 30% more accurate over prior methods.


Multi-modal Representation Learning Enables Accurate Protein Function Prediction in Low-Data Setting

arXiv.org Artificial Intelligence

In this study, we propose HOPER (HOlistic ProtEin Representation), a novel multimodal learning framework designed to enhance protein function prediction (PFP) in low-data settings. The challenge of predicting protein functions is compounded by the limited availability of labeled data. Traditional machine learning models already struggle in such cases, and while deep learning models excel with abundant data, they also face difficulties when data is scarce. HOPER addresses this issue by integrating three distinct modalities - protein sequences, biomedical text, and protein-protein interaction (PPI) networks - to create a comprehensive protein representation. The model utilizes autoencoders to generate holistic embeddings, which are then employed for PFP tasks using transfer learning. HOPER outperforms existing methods on a benchmark dataset across all Gene Ontology categories, i.e., molecular function, biological process, and cellular component. Additionally, we demonstrate its practical utility by identifying new immune-escape proteins in lung adenocarcinoma, offering insights into potential therapeutic targets. Our results highlight the effectiveness of multimodal representation learning for overcoming data limitations in biological research, potentially enabling more accurate and scalable protein function prediction. HOPER source code and datasets are available at https://github.com/kansil/HOPER


PaRCE: Probabilistic and Reconstruction-based Competency Estimation for CNN-based Image Classification

arXiv.org Machine Learning

Convolutional neural networks (CNNs) are extremely popular and effective for image classification tasks but tend to be overly confident in their predictions. Various works have sought to quantify uncertainty associated with these models, detect out-of-distribution (OOD) inputs, or identify anomalous regions in an image, but limited work has sought to develop a holistic approach that can accurately estimate perception model confidence across various sources of uncertainty. We develop a probabilistic and reconstruction-based competency estimation (PaRCE) method and compare it to existing approaches for uncertainty quantification and OOD detection. We find that our method can best distinguish between correctly classified, misclassified, and OOD samples with anomalous regions, as well as between samples with visual image modifications resulting in high, medium, and low prediction accuracy. We describe how to extend our approach for anomaly localization tasks and demonstrate the ability of our approach to distinguish between regions in an image that are familiar to the perception model from those that are unfamiliar. We find that our method generates interpretable scores that most reliably capture a holistic notion of perception model confidence.


Detecting Distributed Denial of Service Attacks Using Logistic Regression and SVM Methods

arXiv.org Artificial Intelligence

A distributed denial-of-service (DDoS) attack is an attempt to produce humongous traffic within a network by overwhelming a targeted server or its neighboring infrastructure with a flood of service requests ceaselessly coming from multiple remotely controlled malware-infected computers or network-connected devices. Thus, exploring DDoS attacks by recognizing their functionalities and differentiating them from normal traffic services are the primary concerns of network security issues particularly for online businesses. In modern networks, most DDoS attacks occur in the network and application layer including HTTP flood, UDP flood, SIDDOS, SMURF, SNMP flood, IP NULL, etc. The goal of this paper is to detect DDoS attacks from all service requests and classify them according to DDoS classes. In this regard, a standard dataset is collected from the internet which contains several network-related attributes and their corresponding DDoS attack class name. Two(2) different machine learning approaches, SVM and Logistic Regression, are implemented in the dataset for detecting and classifying DDoS attacks, and a comparative study is accomplished among them in terms of accuracy, precision, and recall rates. Logistic Regression and SVM both achieve 98.65% classification accuracy which is the highest achieved accuracy among other previous experiments with the same dataset.