This paper introduces the award-winning deep learning (DL) library called LibAUC for implementing state-of-the-art algorithms towards optimizing a family of risk functions named X-risks. X-risks refer to a family of compositional functions in which the loss function of each data point is defined in a way that contrasts the data point with a large number of others. They have broad applications in AI for solving classical and emerging problems, including but not limited to classification for imbalanced data (CID), learning to rank (LTR), and contrastive learning of representations (CLR). The motivation of developing LibAUC is to address the convergence issues of existing libraries for solving these problems. In particular, existing libraries may not converge or require very large mini-batch sizes in order to attain good performance for these problems, due to the usage of the standard mini-batch technique in the empirical risk minimization (ERM) framework. Our library is for deep X-risk optimization (DXO) that has achieved great success in solving a variety of tasks for CID, LTR and CLR. The contributions of this paper include: (1) It introduces a new mini-batch based pipeline for implementing DXO algorithms, which differs from existing DL pipeline in the design of controlled data samplers and dynamic mini-batch losses; (2) It provides extensive benchmarking experiments for ablation studies and comparison with existing libraries. The LibAUC library features scalable performance for millions of items to be contrasted, faster and better convergence than existing libraries for optimizing X-risks, seamless PyTorch deployment and versatile APIs for various loss optimization. Our library is available to the open source community at https://github.com/Optimization-AI/LibAUC, to facilitate further academic research and industrial applications.
In this work, we introduce a novel Deep Learning-based method to perceive the environment of a vehicle based on radar scans while accounting for uncertainties in its predictions. The environment of the host vehicle is segmented into equally sized grid cells which are classified individually. Complementary to the segmentation output, our Deep Learning-based algorithm is capable of differentiating uncertainties in its predictions as being related to an inadequate model (epistemic uncertainty) or noisy data (aleatoric uncertainty). To this end, weights are described as probability distributions accounting for uncertainties in the model parameters. Distributions are learned in a supervised fashion using gradient descent. We prove that uncertainties in the model output correlate with the precision of its predictions. Compared to previous concepts, we show superior performance of our approach to reliably perceive the environment of a vehicle.
Deep neural networks are capable of state-of-the-art performance in many classification tasks. However, they are known to be vulnerable to adversarial attacks -- small perturbations to the input that lead to a change in classification. We address this issue from the perspective of backward error and condition number, concepts that have proved useful in numerical analysis. To do this, we build on the work of Beuzeville et al. (2021). In particular, we develop a new class of attack algorithms that use componentwise relative perturbations. Such attacks are highly relevant in the case of handwritten documents or printed texts where, for example, the classification of signatures, postcodes, dates or numerical quantities may be altered by changing only the ink consistency and not the background. This makes the perturbed images look natural to the naked eye. Such ``adversarial ink'' attacks therefore reveal a weakness that can have a serious impact on safety and security. We illustrate the new attacks on real data and contrast them with existing algorithms. We also study the use of a componentwise condition number to quantify vulnerability.
Malaria continues to be a major public health problem on the African continent, particularly in Sub-Saharan Africa. Nonetheless, efforts are ongoing, and significant progress has been made. In Burundi, malaria is among the main public health concerns. In the literature, there are limited prediction models for Burundi. We know that such tools are much needed for interventions design. In our study, we built machine-learning based models to estimates malaria cases in Burundi. The forecast of malaria cases was carried out at province level and national scale as well. Long short term memory (LSTM) model, a type of deep learning model has been used to achieve best results using climate-change related factors such as temperature, rainfal, and relative humidity, together with malaria historical data and human population. With this model, the results showed that at country level different tuning of parameters can be used in order to determine the minimum and maximum expected malaria cases. The univariate version of that model (LSTM) which learns from previous dynamics of malaria cases give more precise estimates at province-level, but both models have same trends overall at provnce-level and country-level
The emergence of deep learning has significantly enhanced the analysis of electrocardiograms (ECGs), a non-invasive method that is essential for assessing heart health. Despite the complexity of ECG interpretation, advanced deep learning models outperform traditional methods. However, the increasing complexity of ECG data and the need for real-time and accurate diagnosis necessitate exploring more robust architectures, such as transformers. Here, we present an in-depth review of transformer architectures that are applied to ECG classification. Originally developed for natural language processing, these models capture complex temporal relationships in ECG signals that other models might overlook. We conducted an extensive search of the latest transformer-based models and summarize them to discuss the advances and challenges in their application and suggest potential future improvements. This review serves as a valuable resource for researchers and practitioners and aims to shed light on this innovative application in ECG interpretation.
To improve the efficiency and sustainability of learning deep models, we propose CREST, the first scalable framework with rigorous theoretical guarantees to identify the most valuable examples for training non-convex models, particularly deep networks. To guarantee convergence to a stationary point of a non-convex function, CREST models the non-convex loss as a series of quadratic functions and extracts a coreset for each quadratic sub-region. In addition, to ensure faster convergence of stochastic gradient methods such as (mini-batch) SGD, CREST iteratively extracts multiple mini-batch coresets from larger random subsets of training data, to ensure nearly-unbiased gradients with small variances. Finally, to further improve scalability and efficiency, CREST identifies and excludes the examples that are learned from the coreset selection pipeline. Our extensive experiments on several deep networks trained on vision and NLP datasets, including CIFAR-10, CIFAR-100, TinyImageNet, and SNLI, confirm that CREST speeds up training deep networks on very large datasets, by 1.7x to 2.5x with minimum loss in the performance. By analyzing the learning difficulty of the subsets selected by CREST, we show that deep models benefit the most by learning from subsets of increasing difficulty levels.
Security-constrained unit commitment (SCUC) is a computationally complex process utilized in power system day-ahead scheduling and market clearing. SCUC is run daily and requires state-of-the-art algorithms to speed up the process. The constraints and data associated with SCUC are both geographically and temporally correlated to ensure the reliability of the solution, which further increases the complexity. In this paper, an advanced machine learning (ML) model is used to study the patterns in power system historical data, which inherently considers both spatial and temporal (ST) correlations in constraints. The ST-correlated ML model is trained to understand spatial correlation by considering graph neural networks (GNN) whereas temporal sequences are studied using long short-term memory (LSTM) networks. The proposed approach is validated on several test systems namely, IEEE 24-Bus system, IEEE-73 Bus system, IEEE 118-Bus system, and synthetic South-Carolina (SC) 500-Bus system. Moreover, B-{\theta} and power transfer distribution factor (PTDF) based SCUC formulations were considered in this research. Simulation results demonstrate that the ST approach can effectively predict generator commitment schedule and classify critical and non-critical lines in the system which are utilized for model reduction of SCUC to obtain computational enhancement without loss in solution quality
Advancements in digital pathology and computing resources have made a significant impact in the field of computational pathology for breast cancer diagnosis and treatment. However, access to high-quality labeled histopathological images of breast cancer is a big challenge that limits the development of accurate and robust deep learning models. In this scoping review, we identified the publicly available datasets of breast H&E stained whole-slide images (WSI) that can be used to develop deep learning algorithms. We systematically searched nine scientific literature databases and nine research data repositories and found 17 publicly available datasets containing 10385 H&E WSIs of breast cancer. Moreover, we reported image metadata and characteristics for each dataset to assist researchers in selecting proper datasets for specific tasks in breast cancer computational pathology. In addition, we compiled two lists of breast H&E patches and private datasets as supplementary resources for researchers. Notably, only 28% of the included articles utilized multiple datasets, and only 14% used an external validation set, suggesting that the performance of other developed models may be susceptible to overestimation. The TCGA-BRCA was used in 52% of the selected studies. This dataset has a considerable selection bias that can impact the robustness and generalizability of the trained algorithms. There is also a lack of consistent metadata reporting of breast WSI datasets that can be an issue in developing accurate deep learning models, indicating the necessity of establishing explicit guidelines for documenting breast WSI dataset characteristics and metadata.
Time series classification algorithms have been mainly dominated by non-deep learning models. Deep learning for Multivariate Time Series Classification (MTSC) has gained huge interest in recent years. Most state-of-the-art deep learning methods are convolutional-based where 1-dimensional (1D) convolutions are used to extract features from the 2-dimensional time series. This study shows that factorization of 1D convolution filters into disjoint temporal and spatial components yields significant accuracy improvements with almost no additional computational cost. Based on our study on disjoint temporal-spatial filters, we have designed a novel filter block called ``1+1D", which emphasizes the interaction between dimensions to improve the model performance of the convolution-based on deep learning MTSC models. We also proposed a new and effective MTSC method called Disjoint-CNN using our proposed 1+1D filter blocks and through our extensive experiments show that our model (called Disjoint-CNN) outperforms the state-of-the-art MTSC models on 26 datasets in the UEA Multivariate time series archive, achieving the highest average rank among 9 MTSC benchmark models.
Dynamic Time Warping (DTW) has become the pragmatic choice for measuring distance between time series. However, it suffers from unavoidable quadratic time complexity when the optimal alignment matrix needs to be computed exactly. This hinders its use in deep learning architectures, where layers involving DTW computations cause severe bottlenecks. To alleviate these issues, we introduce a new metric for time series data based on the Optimal Transport (OT) framework, called Optimal Transport Warping (OTW). OTW enjoys linear time/space complexity, is differentiable and can be parallelized. OTW enjoys a moderate sensitivity to time and shape distortions, making it ideal for time series. We show the efficacy and efficiency of OTW on 1-Nearest Neighbor Classification and Hierarchical Clustering, as well as in the case of using OTW instead of DTW in Deep Learning architectures.
The brain is likely the most complex organ, given the variety of functions it controls, the number of cells it comprises, and their corresponding diversity. Studying and identifying neurons, the brain's primary building blocks, is a crucial milestone and essential for understanding brain function in health and disease. Recent developments in machine learning have provided advanced abilities for classifying neurons. However, these methods remain black boxes with no explainability and reasoning. This paper aims to provide a robust and explainable deep-learning framework to classify neurons based on their electrophysiological activity. Our analysis is performed on data provided by the Allen Cell Types database containing a survey of biological features derived from single-cell recordings of mice and humans. First, we classify neuronal cell types of mice data to identify excitatory and inhibitory neurons. Then, neurons are categorized to their broad types in humans using domain adaptation from mice data. Lastly, neurons are classified into sub-types based on transgenic mouse lines using deep neural networks in an explainable fashion. We show state-of-the-art results in a dendrite-type classification of excitatory vs. inhibitory neurons and transgenic mouse lines classification. The model is also inherently interpretable, revealing the correlations between neuronal types and their electrophysiological properties.
Postoperative complications pose a significant challenge in the healthcare industry, resulting in elevated healthcare expenses and prolonged hospital stays, and in rare instances, patient mortality. To improve patient outcomes and reduce healthcare costs, healthcare providers rely on various perioperative risk scores to guide clinical decisions and prioritize care. In recent years, machine learning techniques have shown promise in predicting postoperative complications and fatality, with deep learning models achieving remarkable success in healthcare applications. However, research on the application of deep learning models to intra-operative anesthesia management data is limited. In this paper, we evaluate the performance of transformer-based models in predicting postoperative acute renal failure, postoperative pulmonary complications, and postoperative in-hospital mortality. We compare our method's performance with state-of-the-art tabular data prediction models, including gradient boosting trees and sequential attention models, on a clinical dataset. Our results demonstrate that transformer-based models can achieve superior performance in predicting postoperative complications and outperform traditional machine learning models. This work highlights the potential of deep learning techniques, specifically transformer-based models, in revolutionizing the healthcare industry's approach to postoperative care.
The deep learning, which is a dominating technique in artificial intelligence, has completely changed the image understanding over the past decade. As a consequence, the sea ice extraction (SIE) problem has reached a new era. We present a comprehensive review of four important aspects of SIE, including algorithms, datasets, applications, and the future trends. Our review focuses on researches published from 2016 to the present, with a specific focus on deep learning-based approaches in the last five years. We divided all relegated algorithms into 3 categories, including classical image segmentation approach, machine learning-based approach and deep learning-based methods. We reviewed the accessible ice datasets including SAR-based datasets, the optical-based datasets and others. The applications are presented in 4 aspects including climate research, navigation, geographic information systems (GIS) production and others. It also provides insightful observations and inspiring future research directions.
Precise estimation of predictive uncertainty in deep neural networks is a critical requirement for reliable decision-making in machine learning and statistical modeling, particularly in the context of medical AI. Conformal Prediction (CP) has emerged as a promising framework for representing the model uncertainty by providing well-calibrated confidence levels for individual predictions. However, the quantification of model uncertainty in conformal prediction remains an active research area, yet to be fully addressed. In this paper, we explore state-of-the-art CP methodologies and their theoretical foundations. We propose a probabilistic approach in quantifying the model uncertainty derived from the produced prediction sets in conformal prediction and provide certified boundaries for the computed uncertainty. By doing so, we allow model uncertainty measured by CP to be compared by other uncertainty quantification methods such as Bayesian (e.g., MC-Dropout and DeepEnsemble) and Evidential approaches.
In quality control, microstructures are investigated rigorously to ensure structural integrity, exclude the presence of critical volume defects, and validate the formation of the target microstructure. For quenched, hierarchically-structured steels, the morphology of the bainitic and martensitic microstructures are of major concern to guarantee the reliability of the material under service conditions. Therefore, industries conduct small sample-size inspections of materials cross-sections through metallographers to validate the needle morphology of such microstructures. We demonstrate round-robin test results revealing that this visual grading is afflicted by pronounced subjectivity despite the thorough training of personnel. Instead, we propose a deep learning image classification approach that distinguishes steels based on their microstructure type and classifies their needle length alluding to the ISO 643 grain size assessment standard. This classification approach facilitates the reliable, objective, and automated classification of hierarchically structured steels. Specifically, an accuracy of 96% and roughly 91% is attained for the distinction of martensite/bainite subtypes and needle length, respectively. This is achieved on an image dataset that contains significant variance and labeling noise as it is acquired over more than ten years from multiple plants, alloys, etchant applications, and light optical microscopes by many metallographers (raters). Interpretability analysis gives insights into the decision-making of these models and allows for estimating their generalization capability.
Deep learning models have been used in creating various effective image classification applications. However, they are vulnerable to adversarial attacks that seek to misguide the models into predicting incorrect classes. Our study of major adversarial attack models shows that they all specifically target and exploit the neural networking structures in their designs. This understanding makes us develop a hypothesis that most classical machine learning models, such as Random Forest (RF), are immune to adversarial attack models because they do not rely on neural network design at all. Our experimental study of classical machine learning models against popular adversarial attacks supports this hypothesis. Based on this hypothesis, we propose a new adversarial-aware deep learning system by using a classical machine learning model as the secondary verification system to complement the primary deep learning model in image classification. Although the secondary classical machine learning model has less accurate output, it is only used for verification purposes, which does not impact the output accuracy of the primary deep learning model, and at the same time, can effectively detect an adversarial attack when a clear mismatch occurs. Our experiments based on CIFAR-100 dataset show that our proposed approach outperforms current state-of-the-art adversarial defense systems.
While stochastic gradient descent (SGD) is still the most popular optimization algorithm in deep learning, adaptive algorithms such as Adam have established empirical advantages over SGD in some deep learning applications such as training transformers. However, it remains a question that why Adam converges significantly faster than SGD in these scenarios. In this paper, we propose one explanation of why Adam converges faster than SGD using a new concept directional sharpness. We argue that the performance of optimization algorithms is closely related to the directional sharpness of the update steps, and show SGD has much worse directional sharpness compared to adaptive algorithms. We further observe that only a small fraction of the coordinates causes the bad sharpness and slow convergence of SGD, and propose to use coordinate-wise clipping as a solution to SGD and other optimization algorithms. We demonstrate the effect of coordinate-wise clipping on sharpness reduction and speeding up the convergence of optimization algorithms under various settings. We show that coordinate-wise clipping improves the local loss reduction when only a small fraction of the coordinates has bad sharpness. We conclude that the sharpness reduction effect of adaptive coordinate-wise scaling is the reason for Adam's success in practice and suggest the use of coordinate-wise clipping as a universal technique to speed up deep learning optimization.
This paper introduces a novel deep-learning-based approach for numerical simulation of a time-evolving Schr\"odinger equation inspired by stochastic mechanics and generative diffusion models. Unlike existing approaches, which exhibit computational complexity that scales exponentially in the problem dimension, our method allows us to adapt to the latent low-dimensional structure of the wave function by sampling from the Markovian diffusion. Depending on the latent dimension, our method may have far lower computational complexity in higher dimensions. Moreover, we propose novel equations for stochastic quantum mechanics, resulting in quadratic computational complexity with respect to the number of dimensions. Numerical simulations verify our theoretical findings and show a significant advantage of our method compared to other deep-learning-based approaches used for quantum mechanics.
Point clouds are versatile representations of 3D objects and have found widespread application in science and engineering. Many successful deep-learning models have been proposed that use them as input. The domain of chemical and materials modeling is especially challenging because exact compliance with physical constraints is highly desirable for a model to be usable in practice. These constraints include smoothness and invariance with respect to translations, rotations, and permutations of identical atoms. If these requirements are not rigorously fulfilled, atomistic simulations might lead to absurd outcomes even if the model has excellent accuracy. Consequently, dedicated architectures, which achieve invariance by restricting their design space, have been developed. General-purpose point-cloud models are more varied but often disregard rotational symmetry. We propose a general symmetrization method that adds rotational equivariance to any given model while preserving all the other requirements. Our approach simplifies the development of better atomic-scale machine-learning schemes by relaxing the constraints on the design space and making it possible to incorporate ideas that proved effective in other domains. We demonstrate this idea by introducing the Point Edge Transformer (PET) architecture, which is not intrinsically equivariant but achieves state-of-the-art performance on several benchmark datasets of molecules and solids. A-posteriori application of our general protocol makes PET exactly equivariant, with minimal changes to its accuracy.
In the past decade, deep neural networks have achieved significant progress in point cloud learning. However, collecting large-scale precisely-annotated training data is extremely laborious and expensive, which hinders the scalability of existing point cloud datasets and poses a bottleneck for efficient exploration of point cloud data in various tasks and applications. Label-efficient learning offers a promising solution by enabling effective deep network training with much-reduced annotation efforts. This paper presents the first comprehensive survey of label-efficient learning of point clouds. We address three critical questions in this emerging research field: i) the importance and urgency of label-efficient learning in point cloud processing, ii) the subfields it encompasses, and iii) the progress achieved in this area. To achieve this, we propose a taxonomy that organizes label-efficient learning methods based on the data prerequisites provided by different types of labels. We categorize four typical label-efficient learning approaches that significantly reduce point cloud annotation efforts: data augmentation, domain transfer learning, weakly-supervised learning, and pretrained foundation models. For each approach, we outline the problem setup and provide an extensive literature review that showcases relevant progress and challenges. Finally, we share insights into current research challenges and potential future directions. A project associated with this survey has been built at https://github.com/xiaoaoran/3D_label_efficient_learning.