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  1. Abstract

    Machine learning influences numerous aspects of modern society, empowers new technologies, from Alphago to ChatGPT, and increasingly materializes in consumer products such as smartphones and self-driving cars. Despite the vital role and broad applications of artificial neural networks, we lack systematic approaches, such as network science, to understand their underlying mechanism. The difficulty is rooted in many possible model configurations, each with different hyper-parameters and weighted architectures determined by noisy data. We bridge the gap by developing a mathematical framework that maps the neural network’s performance to the network characters of the line graph governed by the edge dynamics of stochastic gradient descent differential equations. This framework enables us to derive a neural capacitance metric to universally capture a model’s generalization capability on a downstream task and predict model performance using only early training results. The numerical results on 17 pre-trained ImageNet models across five benchmark datasets and one NAS benchmark indicate that our neural capacitance metric is a powerful indicator for model selection based only on early training results and is more efficient than state-of-the-art methods.

     
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  2. Free, publicly-accessible full text available April 27, 2025
  3. Free, publicly-accessible full text available January 1, 2025
  4. Abstract The rapid spread of the COVID-19 pandemic has resulted in an unprecedented amount of sequence data of the SARS-CoV-2 genome—millions of sequences and counting. This amount of data, while being orders of magnitude beyond the capacity of traditional approaches to understanding the diversity, dynamics, and evolution of viruses, is nonetheless a rich resource for machine learning (ML) approaches as alternatives for extracting such important information from these data. It is of hence utmost importance to design a framework for testing and benchmarking the robustness of these ML models. This paper makes the first effort (to our knowledge) to benchmark the robustness of ML models by simulating biological sequences with errors. In this paper, we introduce several ways to perturb SARS-CoV-2 genome sequences to mimic the error profiles of common sequencing platforms such as Illumina and PacBio. We show from experiments on a wide array of ML models that some simulation-based approaches with different perturbation budgets are more robust (and accurate) than others for specific embedding methods to certain noise simulations on the input sequences. Our benchmarking framework may assist researchers in properly assessing different ML models and help them understand the behavior of the SARS-CoV-2 virus or avoid possible future pandemics. 
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    Free, publicly-accessible full text available December 1, 2024
  5. Free, publicly-accessible full text available October 27, 2024
  6. Autonomous systems, such as Unmanned Aerial Vehicles (UAVs), are expected to run complex reinforcement learning (RL) models to execute fully autonomous positionnavigation-time tasks within stringent onboard weight and power constraints. We observe that reducing onboard operating voltage can benefit the energy efficiency of both the computation and flight mission, however, it can also result in on-chip bit failures that are detrimental to mission safety and performance. To this end, we propose BERRY, a robust learning framework to improve bit error robustness and energy efficiency for RL-enabled autonomous systems. BERRY supports robust learning, both offline and on-board the UAV, and for the first time, demonstrates the practicality of robust low-voltage operation on UAVs that leads to high energy savings in both compute-level operation and systemlevel quality-of-flight. We perform extensive experiments on 72 autonomous navigation scenarios and demonstrate that BERRY generalizes well across environments, UAVs, autonomy policies, operating voltages and fault patterns, and consistently improves robustness, efficiency and mission performance, achieving up to 15.62% reduction in flight energy, 18.51% increase in the number of successful missions, and 3.43× processing energy reduction. 
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  7. The emergence of third-generation single-molecule sequencing (TGS) technology has revolutionized the generation of long reads, which are essential for genome assembly and have been widely employed in sequencing the SARS-CoV-2 virus during the COVID-19 pandemic. Although long-read sequencing has been crucial in understanding the evolution and transmission of the virus, the high error rate associated with these reads can lead to inadequate genome assembly and downstream biological interpretation. In this study, we evaluate the accuracy and robustness of machine learning (ML) models using six different embedding techniques on SARS-CoV-2 error-incorporated genome sequences. Our analysis includes two types of error-incorporated genome sequences: those generated using simulation tools to emulate error profiles of long-read sequencing platforms and those generated by introducing random errors. We show that the spaced k-mers embedding method achieves high accuracy in classifying error-free SARS-CoV-2 genome sequences, and the spaced k-mers and weighted k-mers embedding methods are highly accurate in predicting error-incorporated sequences. The fixed-length vectors generated by these methods contribute to the high accuracy achieved. Our study provides valuable insights for researchers to effectively evaluate ML models and gain a better understanding of the approach for accurate identification of critical SARS-CoV-2 genome sequences. 
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  8. Domain generalization (DG) aims to train a model to perform well in unseen domains under different distributions. This paper considers a more realistic yet more challenging scenario, namely Single Domain Generalization (Single-DG), where only a single source domain is available for training. To tackle this challenge, we first try to understand when neural networks fail to generalize? We empirically ascertain a property of a model that correlates strongly with its generalization that we coin as model sensitivity. Based on our analysis, we propose a novel strategy of Spectral Adversarial Data Augmentation (SADA) to generate augmented images targeted at the highly sensitive frequencies. Models trained with these hard-to-learn samples can effectively suppress the sensitivity in the frequency space, which leads to improved generalization performance. Extensive experiments on multiple public datasets demonstrate the superiority of our approach, which surpasses the state-of-the-art single-DG methods by up to 2.55%. The source code is available at https://github.com/DIAL-RPI/Spectral-Adversarial-Data-Augmentation. 
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