Glioblastoma Multiforme (GBM) is a malignant brain cancer forming around 48% of al brain and Central Nervous System (CNS) cancers. It is estimated that annually over 13,000 deaths occur in the US due to GBM, making it crucial to have early diagnosis systems that can lead to predictable and effective treatment. The most common treatment after GBM diagnosis is chemotherapy, which works by sending rapidly dividing cells to apoptosis. However, this form of treatment is not effective when the MGMT promoter sequence is methylated, and instead leads to severe side effects decreasing patient survivability. Therefore, it is important to be able to identify the MGMT promoter methylation status through non-invasive magnetic resonance imaging (MRI) based machine learning (ML) models. This is accomplished using the Brain Tumor Segmentation (BraTS) 2021 dataset, which was recently used for an international Kaggle competition. We developed four primary models - two radiomic models and two CNN models - each solving the binary classification task with progressive improvements. We built a novel ML model termed as the Intermediate State Generator which was used to normalize the slice thicknesses of all MRI scans. With further improvements, our best model was able to achieve performance significantly ($p < 0.05$) better than the best performing Kaggle model with a 6% increase in average cross-validation accuracy. This improvement could potentially lead to a more informed choice of chemotherapy as a treatment option, prolonging lives of thousands of patients with GBM each year.
Contrastive learning relies on an assumption that positive pairs contain related views, e.g., patches of an image or co-occurring multimodal signals of a video, that share certain underlying information about an instance. But what if this assumption is violated? The literature suggests that contrastive learning produces suboptimal representations in the presence of noisy views, e.g., false positive pairs with no apparent shared information. In this work, we propose a new contrastive loss function that is robust against noisy views. We provide rigorous theoretical justifications by showing connections to robust symmetric losses for noisy binary classification and by establishing a new contrastive bound for mutual information maximization based on the Wasserstein distance measure. The proposed loss is completely modality-agnostic and a simple drop-in replacement for the InfoNCE loss, which makes it easy to apply to existing contrastive frameworks. We show that our approach provides consistent improvements over the state-of-the-art on image, video, and graph contrastive learning benchmarks that exhibit a variety of real-world noise patterns.
A lot of prognostication methodologies have been formulated for early detection of Polycystic Ovary Syndrome also known as PCOS using Machine Learning. PCOS is a binary classification problem. Dimensionality Reduction methods impact the performance of Machine Learning to a greater extent and using a Supervised Dimensionality Reduction method can give us a new edge to tackle this problem. In this paper we present Discriminant Analysis in different dimensions with Linear and Quadratic form for binary classification along with metrics. We were able to achieve good accuracy and less variation with Discriminant Analysis as compared to many commonly used classification algorithms with training accuracy reaching 97.37% and testing accuracy of 95.92% using Quadratic Discriminant Analysis. Paper also gives the analysis of data with visualizations for deeper understanding of problem.
In the tasks of image aesthetic quality evaluation, it is difficult to reach both the high score area and low score area due to the normal distribution of aesthetic datasets. To reduce the error in labeling and solve the problem of normal data distribution, we propose a new aesthetic mixed dataset with classification and regression called AMD-CR, and we train a meta reweighting network to reweight the loss of training data differently. In addition, we provide a training strategy acccording to different stages, based on pseudo labels of the binary classification task, and then we use it for aesthetic training acccording to different stages in classification and regression tasks. In the construction of the network structure, we construct an aesthetic adaptive block (AAB) structure that can adapt to any size of the input images. Besides, we also use the efficient channel attention (ECA) to strengthen the feature extracting ability of each task. The experimental result shows that our method improves 0.1112 compared with the conventional methods in SROCC. The method can also help to find best aesthetic path planning for unmanned aerial vehicles (UAV) and vehicles.
The detection of early signs of volcanic unrest preceding an eruption, in the form of ground deformation in Interferometric Synthetic Aperture Radar (InSAR) data is critical for assessing volcanic hazard. In this work we treat this as a binary classification problem of InSAR images, and propose a novel deep learning methodology that exploits a rich source of synthetically generated interferograms to train quality classifiers that perform equally well in real interferograms. The imbalanced nature of the problem, with orders of magnitude fewer positive samples, coupled with the lack of a curated database with labeled InSAR data, sets a challenging task for conventional deep learning architectures. We propose a new framework for domain adaptation, in which we learn class prototypes from synthetic data with vision transformers. We report detection accuracy that amounts to the highest reported accuracy on a large test set for volcanic unrest detection. Moreover, we built upon this knowledge by learning a new, non-linear, projection between the learnt representations and prototype space, using pseudo labels produced by our model from an unlabeled real InSAR dataset. This leads to the new state of the art with 97.1% accuracy on our test set. We demonstrate the robustness of our approach by training a simple ResNet-18 Convolutional Neural Network on the unlabeled real InSAR dataset with pseudo-labels generated from our top transformer-prototype model. Our methodology provides a significant improvement in performance without the need of manually labeling any sample, opening the road for further exploitation of synthetic InSAR data in various remote sensing applications.
Knowledge graphs (KGs) are typically incomplete and we often wish to infer new facts given the existing ones. This can be thought of as a binary classification problem; we aim to predict if new facts are true or false. Unfortunately, we generally only have positive examples (the known facts) but we also need negative ones to train a classifier. To resolve this, it is usual to generate negative examples using a negative sampling strategy. However, this can produce false negatives which may reduce performance, is computationally expensive, and does not produce calibrated classification probabilities. In this paper, we propose a training procedure that obviates the need for negative sampling by adding a novel regularization term to the loss function. Our results for two relational embedding models (DistMult and SimplE) show the merit of our proposal both in terms of performance and speed.
In business retention, churn prevention has always been a major concern. This work contributes to this domain by formalizing the problem of churn prediction in the context of online gambling as a binary classification task. We also propose an algorithmic answer to this problem based on recurrent neural network. This algorithm is tested with online gambling data that have the form of time series, which can be efficiently processed by recurrent neural networks. To evaluate the performances of the trained models, standard machine learning metrics were used, such as accuracy, precision and recall. For this problem in particular, the conducted experiments allowed to assess that the choice of a specific architecture depends on the metric which is given the greatest importance. Architectures using nBRC favour precision, those using LSTM give better recall, while GRU-based architectures allow a higher accuracy and balance two other metrics. Moreover, further experiments showed that using only the more recent time-series histories to train the networks decreases the quality of the results. We also study the performances of models learned at a specific instant $t$, at other times $t^{\prime} > t$. The results show that the performances of the models learned at time $t$ remain good at the following instants $t^{\prime} > t$, suggesting that there is no need to refresh the models at a high rate. However, the performances of the models were subject to noticeable variance due to one-off events impacting the data.
We study the difficulties in learning that arise from robust and differentially private optimization. We first study convergence of gradient descent based adversarial training with differential privacy, taking a simple binary classification task on linearly separable data as an illustrative example. We compare the gap between adversarial and nominal risk in both private and non-private settings, showing that the data dimensionality dependent term introduced by private optimization compounds the difficulties of learning a robust model. After this, we discuss what parts of adversarial training and differential privacy hurt optimization, identifying that the size of adversarial perturbation and clipping norm in differential privacy both increase the curvature of the loss landscape, implying poorer generalization performance.
Deep learning is one of the most successful and far-reaching strategies used in machine learning today. However, the scale and utility of neural networks is still greatly limited by the current hardware used to train them. These concerns have become increasingly pressing as conventional computers quickly approach physical limitations that will slow performance improvements in years to come. For these reasons, scientists have begun to explore alternative computing platforms, like quantum computers, for training neural networks. In recent years, variational quantum circuits have emerged as one of the most successful approaches to quantum deep learning on noisy intermediate scale quantum devices. We propose a hybrid quantum-classical neural network architecture where each neuron is a variational quantum circuit. We empirically analyze the performance of this hybrid neural network on a series of binary classification data sets using a simulated universal quantum computer and a state of the art universal quantum computer. On simulated hardware, we observe that the hybrid neural network achieves roughly 10% higher classification accuracy and 20% better minimization of cost than an individual variational quantum circuit. On quantum hardware, we observe that each model only performs well when the qubit and gate count is sufficiently small.
Learning to optimize the area under the receiver operating characteristics curve (AUC) performance for imbalanced data has attracted much attention in recent years. Although there have been several methods of AUC optimization, scaling up AUC optimization is still an open issue due to its pairwise learning style. Maximizing AUC in the large-scale dataset can be considered as a non-convex and expensive problem. Inspired by the characteristic of pairwise learning, the cheap AUC optimization task with a small-scale dataset sampled from the large-scale dataset is constructed to promote the AUC accuracy of the original, large-scale, and expensive AUC optimization task. This paper develops an evolutionary multitasking framework (termed EMTAUC) to make full use of information among the constructed cheap and expensive tasks to obtain higher performance. In EMTAUC, one mission is to optimize AUC from the sampled dataset, and the other is to maximize AUC from the original dataset. Moreover, due to the cheap task containing limited knowledge, a strategy for dynamically adjusting the data structure of inexpensive tasks is proposed to introduce more knowledge into the multitasking AUC optimization environment. The performance of the proposed method is evaluated on a series of binary classification datasets. The experimental results demonstrate that EMTAUC is highly competitive to single task methods and online methods. Supplementary materials and source code implementation of EMTAUC can be accessed at https://github.com/xiaofangxd/EMTAUC.
The effect of bias on hypothesis formation is characterized for an automated data-driven projection pursuit neural network to extract and select features for binary classification of data streams. This intelligent exploratory process partitions a complete vector state space into disjoint subspaces to create working hypotheses quantified by similarities and differences observed between two groups of labeled data streams. Data streams are typically time sequenced, and may exhibit complex spatio-temporal patterns. For example, given atomic trajectories from molecular dynamics simulation, the machine's task is to quantify dynamical mechanisms that promote function by comparing protein mutants, some known to function while others are nonfunctional. Utilizing synthetic two-dimensional molecules that mimic the dynamics of functional and nonfunctional proteins, biases are identified and controlled in both the machine learning model and selected training data under different contexts. The refinement of a working hypothesis converges to a statistically robust multivariate perception of the data based on a context-dependent perspective. Including diverse perspectives during data exploration enhances interpretability of the multivariate characterization of similarities and differences.
Computer assisted diagnosis in digital pathology is becoming ubiquitous as it can provide more efficient and objective healthcare diagnostics. Recent advances have shown that the convolutional Neural Network (CNN) architectures, a well-established deep learning paradigm, can be used to design a Computer Aided Diagnostic (CAD) System for breast cancer detection. However, the challenges due to stain variability and the effect of stain normalization with such deep learning frameworks are yet to be well explored. Moreover, performance analysis with arguably more efficient network models, which may be important for high throughput screening, is also not well explored.To address this challenge, we consider some contemporary CNN models for binary classification of breast histopathology images that involves (1) the data preprocessing with stain normalized images using an adaptive colour deconvolution (ACD) based color normalization algorithm to handle the stain variabilities; and (2) applying transfer learning based training of some arguably more efficient CNN models, namely Visual Geometry Group Network (VGG16), MobileNet and EfficientNet. We have validated the trained CNN networks on a publicly available BreaKHis dataset, for 200x and 400x magnified histopathology images. The experimental analysis shows that pretrained networks in most cases yield better quality results on data augmented breast histopathology images with stain normalization, than the case without stain normalization. Further, we evaluated the performance and efficiency of popular lightweight networks using stain normalized images and found that EfficientNet outperforms VGG16 and MobileNet in terms of test accuracy and F1 Score. We observed that efficiency in terms of test time is better in EfficientNet than other networks; VGG Net, MobileNet, without much drop in the classification accuracy.
Variation in the local thermal history during the laser powder bed fusion (LPBF) process in additive manufacturing (AM) can cause microporosity defects. in-situ sensing has been proposed to monitor the AM process to minimize defects, but the success requires establishing a quantitative relationship between the sensing data and the porosity, which is especially challenging for a large number of variables and computationally costly. In this work, we develop machine learning (ML) models that can use in-situ thermographic data to predict the microporosity of LPBF stainless steel materials. This work considers two identified key features from the thermal histories: the time above the apparent melting threshold (/tau) and the maximum radiance (T_{max}). These features are computed, stored for each voxel in the built material, are used as inputs. The binary state of each voxel, either defective or normal, is the output. Different ML models are trained and tested for the binary classification task. In addition to using the thermal features of each voxel to predict its own state, the thermal features of neighboring voxels are also included as inputs. This is shown to improve the prediction accuracy, which is consistent with thermal transport physics around each voxel contributing to its final state. Among the models trained, the F1 scores on test sets reach above 0.96 for random forests. Feature importance analysis based on the ML models shows that T_{max}is more important to the voxel state than /tau. The analysis also finds that the thermal history of the voxels above the present voxel is more influential than those beneath it.
In this work, we consider the performance of using a quantum algorithm to predict a result for a binary classification problem if a machine learning model is an ensemble from any simple classifiers. Such an approach is faster than classical prediction and uses quantum and classical computing, but it is based on a probabilistic algorithm. Let $N$ be a number of classifiers from an ensemble model and $O(T)$ be the running time of prediction on one classifier. In classical case, an ensemble model gets answers from each classifier and "averages" the result. The running time in classical case is $O\left( N \cdot T \right)$. We propose an algorithm which works in $O\left(\sqrt{N} \cdot T\right)$.
The accuracy of binary classification systems is defined as the proportion of correct predictions - both positive and negative - made by a classification model or computational algorithm. A value between 0 (no accuracy) and 1 (perfect accuracy), the accuracy of a classification model is dependent on several factors, notably: the classification rule or algorithm used, the intrinsic characteristics of the tool used to do the classification, and the relative frequency of the elements being classified. Several accuracy metrics exist, each with its own advantages in different classification scenarios. In this manuscript, we show that relative to a perfect accuracy of 1, the positive prevalence threshold ($\phi_e$), a critical point of maximum curvature in the precision-prevalence curve, bounds the $F{_{\beta}}$ score between 1 and 1.8/1.5/1.2 for $\beta$ values of 0.5/1.0/2.0, respectively; the $F_1$ score between 1 and 1.5, and the Fowlkes-Mallows Index (FM) between 1 and $\sqrt{2} \approx 1.414$. We likewise describe a novel $negative$ prevalence threshold ($\phi_n$), the level of sharpest curvature for the negative predictive value-prevalence curve, such that $\phi_n$ $>$ $\phi_e$. The area between both these thresholds bounds the Matthews Correlation Coefficient (MCC) between $\sqrt{2}/2$ and $\sqrt{2}$. Conversely, the ratio of the maximum possible accuracy to that at any point below the prevalence threshold, $\phi_e$, goes to infinity with decreasing prevalence. Though applications are numerous, the ideas herein discussed may be used in computational complexity theory, artificial intelligence, and medical screening, amongst others. Where computational time is a limiting resource, attaining the prevalence threshold in binary classification systems may be sufficient to yield levels of accuracy comparable to that under maximum prevalence.
Knowledge base completion is formulated as a binary classification problem in this work, where an XGBoost binary classifier is trained for each relation using relevant links in knowledge graphs (KGs). The new method, named KGBoost, adopts a modularized design and attempts to find hard negative samples so as to train a powerful classifier for missing link prediction. We conduct experiments on multiple benchmark datasets, and demonstrate that KGBoost outperforms state-of-the-art methods across most datasets. Furthermore, as compared with models trained by end-to-end optimization, KGBoost works well under the low-dimensional setting so as to allow a smaller model size.
Anomaly detection is an essential problem in machine learning. Application areas include network security, health care, fraud detection, etc., involving high-dimensional datasets. A typical anomaly detection system always faces the class-imbalance problem in the form of a vast difference in the sample sizes of different classes. They usually have class overlap problems. This study used a capsule network for the anomaly detection task. To the best of our knowledge, this is the first instance where a capsule network is analyzed for the anomaly detection task in a high-dimensional complex data setting. We also handle the related novelty and outlier detection problems. The architecture of the capsule network was suitably modified for a binary classification task. Capsule networks offer a good option for detecting anomalies due to the effect of viewpoint invariance captured in its predictions and viewpoint equivariance captured in internal capsule architecture. We used six-layered under-complete autoencoder architecture with second and third layers containing capsules. The capsules were trained using the dynamic routing algorithm. We created $10$-imbalanced datasets from the original MNIST dataset and compared the performance of the capsule network with $5$ baseline models. Our leading test set measures are F1-score for minority class and area under the ROC curve. We found that the capsule network outperformed every other baseline model on the anomaly detection task by using only ten epochs for training and without using any other data level and algorithm level approach. Thus, we conclude that capsule networks are excellent in modeling complex high-dimensional imbalanced datasets for the anomaly detection task.
There is an increasing interest in the application of deep learning architectures to tabular data. One of the state-of-the-art solutions is TabTransformer which incorporates an attention mechanism to better track relationships between categorical features and then makes use of a standard MLP to output its final logits. In this paper we propose multiple modifications to the original TabTransformer performing better on binary classification tasks for three separate datasets with more than 1% AUROC gains. Inspired by gated MLP, linear projections are implemented in the MLP block and multiple activation functions are tested. We also evaluate the importance of specific hyper parameters during training.
We study universal consistency of non-i.i.d. processes in the context of online learning. A stochastic process is said to admit universal consistency if there exists a learner that achieves vanishing average loss for any measurable response function on this process. When the loss function is unbounded, Blanchard et al. showed that the only processes admitting strong universal consistency are those taking a finite number of values almost surely. However, when the loss function is bounded, the class of processes admitting strong universal consistency is much richer and its characterization could be dependent on the response setting (Hanneke). In this paper, we show that this class of processes is independent from the response setting thereby closing an open question (Hanneke, Open Problem 3). Specifically, we show that the class of processes that admit universal online learning is the same for binary classification as for multiclass classification with countable number of classes. Consequently, any output setting with bounded loss can be reduced to binary classification. Our reduction is constructive and practical. Indeed, we show that the nearest neighbor algorithm is transported by our construction. For binary classification on a process admitting strong universal learning, we prove that nearest neighbor successfully learns at least all finite unions of intervals.
Drug-mediated blockade of the voltage-gated potassium channel(hERG) and the voltage-gated sodium channel (Nav1.5) can lead to severe cardiovascular complications. This rising concern has been reflected in the drug development arena, as the frequent emergence of cardiotoxicity from many approved drugs led to either discontinuing their use or, in some cases, their withdrawal from the market. Predicting potential hERG and Nav1.5 blockers at the outset of the drug discovery process can resolve this problem and can, therefore, decrease the time and expensive cost of developing safe drugs. One fast and cost-effective approach is to use in silico predictive methods to weed out potential hERG and Nav1.5 blockers at the early stages of drug development. Here, we introduce two robust 2D descriptor-based QSAR predictive models for both hERG and Nav1.5 liability predictions. The machine learning models were trained for both regression, predicting the potency value of a drug, and multiclass classification at three different potency cut-offs (i.e. 1$\mu$M, 10$\mu$M, and 30$\mu$M), where ToxTree-hERG Classifier, a pipeline of Random Forest models, was trained on a large curated dataset of 8380 unique molecular compounds. Whereas ToxTree-Nav1.5 Classifier, a pipeline of kernelized SVM models, was trained on a large manually curated set of 1550 unique compounds retrieved from both ChEMBL and PubChem publicly available bioactivity databases. The proposed hERG inducer outperformed most metrics of the state-of-the-art published model and other existing tools. Additionally, we are introducing the first Nav1.5 liability predictive model achieving a Q4 = 74.9% and a binary classification of Q2 = 86.7% with MCC = 71.2% evaluated on an external test set of 173 unique compounds. The curated datasets used in this project are made publicly available to the research community.