Uncertainty quantification is a central challenge in reliable and trustworthy machine learning. Naive measures such as last-layer scores are well-known to yield overconfident estimates in the context of overparametrized neural networks. Several methods, ranging from temperature scaling to different Bayesian treatments of neural networks, have been proposed to mitigate overconfidence, most often supported by the numerical observation that they yield better calibrated uncertainty measures. In this work, we provide a sharp comparison between popular uncertainty measures for binary classification in a mathematically tractable model for overparametrized neural networks: the random features model. We discuss a trade-off between classification accuracy and calibration, unveiling a double descent like behavior in the calibration curve of optimally regularized estimators as a function of overparametrization. This is in contrast with the empirical Bayes method, which we show to be well calibrated in our setting despite the higher generalization error and overparametrization.
In recent years, there has been growing attention to interpretable machine learning models which can give explanatory insights on their behaviour. Thanks to their interpretability, decision trees have been intensively studied for classification tasks and, due to the remarkable advances in mixed integer programming (MIP), various approaches have been proposed to formulate the problem of training an Optimal Classification Tree (OCT) as a MIP model. We present a novel mixed integer quadratic formulation for the OCT problem, which exploits the generalization capabilities of Support Vector Machines for binary classification. Our model, denoted as Margin Optimal Classification Tree (MARGOT), encompasses maximum margin multivariate hyperplanes nested in a binary tree structure. To enhance the interpretability of our approach, we analyse two alternative versions of MARGOT, which include feature selection constraints inducing sparsity of the hyperplanes' coefficients. First, MARGOT has been tested on non-linearly separable synthetic datasets in a 2-dimensional feature space to provide a graphical representation of the maximum margin approach. Finally, the proposed models have been tested on benchmark datasets from the UCI repository. The MARGOT formulation turns out to be easier to solve than other OCT approaches, and the generated tree better generalizes on new observations. The two interpretable versions effectively select the most relevant features, maintaining good prediction quality.
With the development of neural networks and the increasing popularity of automatic driving, the calibration of the LiDAR and the camera has attracted more and more attention. This calibration task is multi-modal, where the rich color and texture information captured by the camera and the accurate three-dimensional spatial information from the LiDAR is incredibly significant for downstream tasks. Current research interests mainly focus on obtaining accurate calibration results through information fusion. However, they seldom analyze whether the calibrated results are correct or not, which could be of significant importance in real-world applications. For example, in large-scale production, the LiDARs and the cameras of each smart car have to get well-calibrated as the car leaves the production line, while in the rest of the car life period, the poses of the LiDARs and cameras should also get continually supervised to ensure the security. To this end, this paper proposes a self-checking algorithm to judge whether the extrinsic parameters are well-calibrated by introducing a binary classification network based on the fused information from the camera and the LiDAR. Moreover, since there is no such dataset for the task in this work, we further generate a new dataset branch from the KITTI dataset tailored for the task. Our experiments on the proposed dataset branch demonstrate the performance of our method. To the best of our knowledge, this is the first work to address the significance of continually checking the calibrated extrinsic parameters for autonomous driving. The code is open-sourced on the Github website at https://github.com/OpenCalib/LiDAR2camera_self-check.
In recent years, XAI researchers have been formalizing proposals and developing new methods to explain black box models, with no general consensus in the community on which method to use to explain these models, with this choice being almost directly linked to the popularity of a specific method. Methods such as Ciu, Dalex, Eli5, Lofo, Shap and Skater emerged with the proposal to explain black box models through global rankings of feature relevance, which based on different methodologies, generate global explanations that indicate how the model's inputs explain its predictions. In this context, 41 datasets, 4 tree-ensemble algorithms (Light Gradient Boosting, CatBoost, Random Forest, and Gradient Boosting), and 6 XAI methods were used to support the launch of a new XAI method, called eXirt, based on Item Response Theory - IRT and aimed at tree-ensemble black box models that use tabular data referring to binary classification problems. In the first set of analyses, the 164 global feature relevance ranks of the eXirt were compared with 984 ranks of the other XAI methods present in the literature, seeking to highlight their similarities and differences. In a second analysis, exclusive explanations of the eXirt based on Explanation-by-example were presented that help in understanding the model trust. Thus, it was verified that eXirt is able to generate global explanations of tree-ensemble models and also local explanations of instances of models through IRT, showing how this consolidated theory can be used in machine learning in order to obtain explainable and reliable models.
We consider a setting that a model needs to adapt to a new domain under distribution shifts, given that only unlabeled test samples from the new domain are accessible at test time. A common idea in most of the related works is constructing pseudo-labels for the unlabeled test samples and applying gradient descent (GD) to a loss function with the pseudo-labels. Recently, \cite{GSRK22} propose conjugate labels, which is a new kind of pseudo-labels for self-training at test time. They empirically show that the conjugate label outperforms other ways of pseudo-labeling on many domain adaptation benchmarks. However, provably showing that GD with conjugate labels learns a good classifier for test-time adaptation remains open. In this work, we aim at theoretically understanding GD with hard and conjugate labels for a binary classification problem. We show that for square loss, GD with conjugate labels converges to an $\epsilon$-optimal predictor under a Gaussian model for any arbitrarily small $\epsilon$, while GD with hard pseudo-labels fails in this task. We also analyze them under different loss functions for the update. Our results shed lights on understanding when and why GD with hard labels or conjugate labels works in test-time adaptation.
When a deep learning model is sequentially trained on different datasets, it forgets the knowledge acquired from previous data, a phenomenon known as catastrophic forgetting. It deteriorates performance of the deep learning model on diverse datasets, which is critical in privacy-preserving deep learning (PPDL) applications based on transfer learning (TL). To overcome this, we propose review learning (RL), a generative-replay-based continual learning technique that does not require a separate generator. Data samples are generated from the memory stored within the synaptic weights of the deep learning model which are used to review knowledge acquired from previous datasets. The performance of RL was validated through PPDL experiments. Simulations and real-world medical multi-institutional experiments were conducted using three types of binary classification electronic health record data. In the real-world experiments, the global area under the receiver operating curve was 0.710 for RL and 0.655 for TL. Thus, RL was highly effective in retaining previously learned knowledge.
Vision Transformers (ViTs) have achieved comparable or superior performance than Convolutional Neural Networks (CNNs) in computer vision. This empirical breakthrough is even more remarkable since, in contrast to CNNs, ViTs do not embed any visual inductive bias of spatial locality. Yet, recent works have shown that while minimizing their training loss, ViTs specifically learn spatially localized patterns. This raises a central question: how do ViTs learn these patterns by solely minimizing their training loss using gradient-based methods from random initialization? In this paper, we provide some theoretical justification of this phenomenon. We propose a spatially structured dataset and a simplified ViT model. In this model, the attention matrix solely depends on the positional encodings. We call this mechanism the positional attention mechanism. On the theoretical side, we consider a binary classification task and show that while the learning problem admits multiple solutions that generalize, our model implicitly learns the spatial structure of the dataset while generalizing: we call this phenomenon patch association. We prove that patch association helps to sample-efficiently transfer to downstream datasets that share the same structure as the pre-training one but differ in the features. Lastly, we empirically verify that a ViT with positional attention performs similarly to the original one on CIFAR-10/100, SVHN and ImageNet.
Machine learning models are increasingly used in high-stakes decision-making systems. In such applications, a major concern is that these models sometimes discriminate against certain demographic groups such as individuals with certain race, gender, or age. Another major concern in these applications is the violation of the privacy of users. While fair learning algorithms have been developed to mitigate discrimination issues, these algorithms can still leak sensitive information, such as individuals' health or financial records. Utilizing the notion of differential privacy (DP), prior works aimed at developing learning algorithms that are both private and fair. However, existing algorithms for DP fair learning are either not guaranteed to converge or require full batch of data in each iteration of the algorithm to converge. In this paper, we provide the first stochastic differentially private algorithm for fair learning that is guaranteed to converge. Here, the term "stochastic" refers to the fact that our proposed algorithm converges even when minibatches of data are used at each iteration (i.e. stochastic optimization). Our framework is flexible enough to permit different fairness notions, including demographic parity and equalized odds. In addition, our algorithm can be applied to non-binary classification tasks with multiple (non-binary) sensitive attributes. As a byproduct of our convergence analysis, we provide the first utility guarantee for a DP algorithm for solving nonconvex-strongly concave min-max problems. Our numerical experiments show that the proposed algorithm consistently offers significant performance gains over the state-of-the-art baselines, and can be applied to larger scale problems with non-binary target/sensitive attributes.
Mitigating bias in training on biased datasets is an important open problem. Several techniques have been proposed, however the typical evaluation regime is very limited, considering very narrow data conditions. For instance, the effect of target class imbalance and stereotyping is under-studied. To address this gap, we examine the performance of various debiasing methods across multiple tasks, spanning binary classification (Twitter sentiment), multi-class classification (profession prediction), and regression (valence prediction). Through extensive experimentation, we find that data conditions have a strong influence on relative model performance, and that general conclusions cannot be drawn about method efficacy when evaluating only on standard datasets, as is current practice in fairness research.
Solar energy is one of the most dependable renewable energy technologies, as it is feasible almost everywhere globally. However, improving the efficiency of a solar PV system remains a significant challenge. To enhance the robustness of the solar system, this paper proposes a trained convolutional neural network (CNN) based fault detection scheme to divide the images of photovoltaic modules. For binary classification, the algorithm classifies the input images of PV cells into two categories (i.e. faulty or normal). To further assess the network's capability, the defective PV cells are organized into shadowy, cracked, or dusty cells, and the model is utilized for multiple classifications. The success rate for the proposed CNN model is 91.1% for binary classification and 88.6% for multi-classification. Thus, the proposed trained CNN model remarkably outperforms the CNN model presented in a previous study which used the same datasets. The proposed CNN-based fault detection model is straightforward, simple and effective and could be applied in the fault detection of solar panel.
Rheumatoid arthritis (RA) is an autoimmune condition caused when patients' immune system mistakenly targets their own tissue. Machine learning (ML) has the potential to identify patterns in patient electronic health records (EHR) to forecast the best clinical treatment to improve patient outcomes. This study introduced a Drug Response Prediction (DRP) framework with two main goals: 1) design a data processing pipeline to extract information from tabular clinical data, and then preprocess it for functional use, and 2) predict RA patient's responses to drugs and evaluate classification models' performance. We propose a novel two-stage ML framework based on European Alliance of Associations for Rheumatology (EULAR) criteria cutoffs to model drug effectiveness. Our model Stacked-Ensemble DRP was developed and cross-validated using data from 425 RA patients. The evaluation used a subset of 124 patients (30%) from the same data source. In the evaluation of the test set, two-stage DRP leads to improved classification accuracy over other end-to-end classification models for binary classification. Our proposed method provides a complete pipeline to predict disease activity scores and identify the group that does not respond well to anti-TNF treatments, thus showing promise in supporting clinical decisions based on EHR information.
In current NLP research, large-scale language models and their abilities are widely being discussed. Some recent works have also found notable failures of these models. Often these failure examples involve complex reasoning abilities. This work focuses on a simple commonsense ability, reasoning about when an action (or its effect) is feasible. To this end, we introduce FeasibilityQA, a question-answering dataset involving binary classification (BCQ) and multi-choice multi-correct questions (MCQ) that test understanding of feasibility. We show that even state-of-the-art models such as GPT-3, GPT-2, and T5 struggle to answer the feasibility questions correctly. Specifically, on MCQ and BCQ questions, GPT-3 achieves an accuracy of just (19%, 62%) and (25%, 64%) in zero-shot and few-shot settings, respectively. We also evaluate models by providing relevant knowledge statements required to answer the question. We find that the additional knowledge leads to a 7% gain in performance, but the overall performance still remains low. These results make one wonder how much commonsense knowledge about action feasibility is encoded in state-of-the-art models and how well they can reason about it.
Dysgraphia, a handwriting learning disability, has a serious negative impact on children's academic results, daily life and overall wellbeing. Early detection of dysgraphia allows for an early start of a targeted intervention. Several studies have investigated dysgraphia detection by machine learning algorithms using a digital tablet. However, these studies deployed classical machine learning algorithms with manual feature extraction and selection as well as binary classification: either dysgraphia or no dysgraphia. In this work, we investigated fine grading of handwriting capabilities by predicting SEMS score (between 0 and 12) with deep learning. Our approach provide accuracy more than 99% and root mean square error lower than one, with automatic instead of manual feature extraction and selection. Furthermore, we used smart pen called SensoGrip, a pen equipped with sensors to capture handwriting dynamics, instead of a tablet, enabling writing evaluation in more realistic scenarios.
Likelihood-to-evidence ratio estimation is usually cast as either a binary (NRE-A) or a multiclass (NRE-B) classification task. In contrast to the binary classification framework, the current formulation of the multiclass version has an intrinsic and unknown bias term, making otherwise informative diagnostics unreliable. We propose a multiclass framework free from the bias inherent to NRE-B at optimum, leaving us in the position to run diagnostics that practitioners depend on. It also recovers NRE-A in one corner case and NRE-B in the limiting case. For fair comparison, we benchmark the behavior of all algorithms in both familiar and novel training regimes: when jointly drawn data is unlimited, when data is fixed but prior draws are unlimited, and in the commonplace fixed data and parameters setting. Our investigations reveal that the highest performing models are distant from the competitors (NRE-A, NRE-B) in hyperparameter space. We make a recommendation for hyperparameters distinct from the previous models. We suggest two bounds on the mutual information as performance metrics for simulation-based inference methods, without the need for posterior samples, and provide experimental results. This version corrects a minor implementation error in $\gamma$, improving results.
The increasing popularity of facial manipulation (Deepfakes) and synthetic face creation raises the need to develop robust forgery detection solutions. Crucially, most work in this domain assume that the Deepfakes in the test set come from the same Deepfake algorithms that were used for training the network. This is not how things work in practice. Instead, we consider the case where the network is trained on one Deepfake algorithm, and tested on Deepfakes generated by another algorithm. Typically, supervised techniques follow a pipeline of visual feature extraction from a deep backbone, followed by a binary classification head. Instead, our algorithm aggregates features extracted across all layers of one backbone network to detect a fake. We evaluate our approach on two domains of interest - Deepfake detection and Synthetic image detection, and find that we achieve SOTA results.
Synthetic voice and splicing audio clips have been generated to spoof Internet users and artificial intelligence (AI) technologies such as voice authentication. Existing research work treats spoofing countermeasures as a binary classification problem: bonafide vs. spoof. This paper extends the existing Res2Net by involving the recent Conformer block to further exploit the local patterns on acoustic features. Experimental results on ASVspoof 2019 database show that the proposed SE-Res2Net-Conformer architecture is able to improve the spoofing countermeasures performance for the logical access scenario. In addition, this paper also proposes to re-formulate the existing audio splicing detection problem. Instead of identifying the complete splicing segments, it is more useful to detect the boundaries of the spliced segments. Moreover, a deep learning approach can be used to solve the problem, which is different from the previous signal processing techniques.
This paper presents our strategy to address the SemEval-2022 Task 3 PreTENS: Presupposed Taxonomies Evaluating Neural Network Semantics. The goal of the task is to identify if a sentence is deemed acceptable or not, depending on the taxonomic relationship that holds between a noun pair contained in the sentence. For sub-task 1 -- binary classification -- we propose an effective way to enhance the robustness and the generalizability of language models for better classification on this downstream task. We design a two-stage fine-tuning procedure on the ELECTRA language model using data augmentation techniques. Rigorous experiments are carried out using multi-task learning and data-enriched fine-tuning. Experimental results demonstrate that our proposed model, UU-Tax, is indeed able to generalize well for our downstream task. For sub-task 2 -- regression -- we propose a simple classifier that trains on features obtained from Universal Sentence Encoder (USE). In addition to describing the submitted systems, we discuss other experiments that employ pre-trained language models and data augmentation techniques. For both sub-tasks, we perform error analysis to further understand the behaviour of the proposed models. We achieved a global F1_Binary score of 91.25% in sub-task 1 and a rho score of 0.221 in sub-task 2.
COVID-19 has a spectrum of disease severity, ranging from asymptomatic to requiring hospitalization. Understanding the mechanisms driving disease severity is crucial for developing effective treatments and reducing mortality rates. One way to gain such understanding is using a multi-class classification framework, in which patients' biological features are used to predict patients' severity classes. In this severity classification problem, it is beneficial to prioritize the identification of more severe classes and control the "under-classification" errors, in which patients are misclassified into less severe categories. The Neyman-Pearson (NP) classification paradigm has been developed to prioritize the designated type of error. However, current NP procedures are either for binary classification or do not provide high probability controls on the prioritized errors in multi-class classification. Here, we propose a hierarchical NP (H-NP) framework and an umbrella algorithm that generally adapts to popular classification methods and controls the under-classification errors with high probability. On an integrated collection of single-cell RNA-seq (scRNA-seq) datasets for 864 patients, we explore ways of featurization and demonstrate the efficacy of the H-NP algorithm in controlling the under-classification errors regardless of featurization. Beyond COVID-19 severity classification, the H-NP algorithm generally applies to multi-class classification problems, where classes have a priority order.
Deep learning systems have been reported to acheive state-of-the-art performances in many applications, and one of the keys for achieving this is the existence of well trained classifiers on benchmark datasets which can be used as backbone feature extractors in downstream tasks. As a main-stream loss function for training deep neural network (DNN) classifiers, the cross entropy loss can easily lead us to find models which demonstrate severe overfitting behavior when no other techniques are used for alleviating it such as data augmentation. In this paper, we prove that the existing cross entropy loss minimization for training DNN classifiers essentially learns the conditional entropy of the underlying data distribution of the dataset, i.e., the information or uncertainty remained in the labels after revealing the input. In this paper, we propose a mutual information learning framework where we train DNN classifiers via learning the mutual information between the label and input. Theoretically, we give the population error probability lower bound in terms of the mutual information. In addition, we derive the mutual information lower and upper bounds for a concrete binary classification data model in $\mbR^n$, and also the error probability lower bound in this scenario. Besides, we establish the sample complexity for accurately learning the mutual information from empirical data samples drawn from the underlying data distribution. Empirically, we conduct extensive experiments on several benchmark datasets to support our theory. Without whistles and bells, the proposed mutual information learned classifiers (MILCs) acheive far better generalization performances than the state-of-the-art classifiers with an improvement which can exceed more than 10\% in testing accuracy.
Renal cell carcinoma (RCC) is a common cancer that varies in clinical behavior. Indolent RCC is often low-grade without necrosis and can be monitored without treatment. Aggressive RCC is often high-grade and can cause metastasis and death if not promptly detected and treated. While most kidney cancers are detected on CT scans, grading is based on histology from invasive biopsy or surgery. Determining aggressiveness on CT images is clinically important as it facilitates risk stratification and treatment planning. This study aims to use machine learning methods to identify radiology features that correlate with features on pathology to facilitate assessment of cancer aggressiveness on CT images instead of histology. This paper presents a novel automated method, Correlated Feature Aggregation By Region (CorrFABR), for classifying aggressiveness of clear cell RCC by leveraging correlations between radiology and corresponding unaligned pathology images. CorrFABR consists of three main steps: (1) Feature Aggregation where region-level features are extracted from radiology and pathology images, (2) Fusion where radiology features correlated with pathology features are learned on a region level, and (3) Prediction where the learned correlated features are used to distinguish aggressive from indolent clear cell RCC using CT alone as input. Thus, during training, CorrFABR learns from both radiology and pathology images, but during inference, CorrFABR will distinguish aggressive from indolent clear cell RCC using CT alone, in the absence of pathology images. CorrFABR improved classification performance over radiology features alone, with an increase in binary classification F1-score from 0.68 (0.04) to 0.73 (0.03). This demonstrates the potential of incorporating pathology disease characteristics for improved classification of aggressiveness of clear cell RCC on CT images.