Daily Papers

In this paper, we question if self-supervised learning provides new properties to Vision Transformer (ViT) that stand out compared to convolutional networks (convnets). Beyond the fact that adapting self-supervised methods to this architecture works particularly well, we make the following observations: first, self-supervised ViT features contain explicit information about the semantic segmentation of an image, which does not emerge as clearly with supervised ViTs, nor with convnets. Second, these features are also excellent k-NN classifiers, reaching 78.3% top-1 on ImageNet with a small ViT. Our study also underlines the importance of momentum encoder, multi-crop training, and the use of small patches with ViTs. We implement our findings into a simple self-supervised method, called DINO, which we interpret as a form of self-distillation with no labels. We show the synergy between DINO and ViTs by achieving 80.1% top-1 on ImageNet in linear evaluation with ViT-Base.

General-purpose foundation models have become increasingly important in the field of artificial intelligence. While self-supervised learning (SSL) and Masked Image Modeling (MIM) have led to promising results in building such foundation models for remote sensing, these models primarily learn low-level features, require annotated data for fine-tuning, and not applicable for retrieval and zero-shot applications due to the lack of language understanding. In response to these limitations, we propose RemoteCLIP, the first vision-language foundation model for remote sensing that aims to learn robust visual features with rich semantics, as well as aligned text embeddings for seamless downstream application. To address the scarcity of pre-training data, we leverage data scaling, converting heterogeneous annotations based on Box-to-Caption (B2C) and Mask-to-Box (M2B) conversion, and further incorporating UAV imagery, resulting a 12xlarger pretraining dataset. RemoteCLIP can be applied to a variety of downstream tasks, including zero-shot image classification, linear probing, k-NN classification, few-shot classification, image-text retrieval, and object counting. Evaluations on 16 datasets, including a newly introduced RemoteCount benchmark to test the object counting ability, show that RemoteCLIP consistently outperforms baseline foundation models across different model scales. Impressively, RemoteCLIP outperform previous SoTA by 9.14% mean recall on RSICD dataset and by 8.92% on RSICD dataset. For zero-shot classification, our RemoteCLIP outperform CLIP baseline by up to 6.39% average accuracy on 12 downstream datasets.

Contrastive Language and Image Pairing (CLIP), a transformative method in multimedia retrieval, typically trains two neural networks concurrently to generate joint embeddings for text and image pairs. However, when applied directly, these models often struggle to differentiate between visually distinct images that have similar captions, resulting in suboptimal performance for image-based similarity searches. This paper addresses the challenge of optimizing CLIP models for various image-based similarity search scenarios, while maintaining their effectiveness in text-based search tasks such as text-to-image retrieval and zero-shot classification. We propose and evaluate two novel methods aimed at refining the retrieval capabilities of CLIP without compromising the alignment between text and image embeddings. The first method involves a sequential fine-tuning process: initially optimizing the image encoder for more precise image retrieval and subsequently realigning the text encoder to these optimized image embeddings. The second approach integrates pseudo-captions during the retrieval-optimization phase to foster direct alignment within the embedding space. Through comprehensive experiments, we demonstrate that these methods enhance CLIP's performance on various benchmarks, including image retrieval, k-NN classification, and zero-shot text-based classification, while maintaining robustness in text-to-image retrieval. Our optimized models permit maintaining a single embedding per image, significantly simplifying the infrastructure needed for large-scale multi-modal similarity search systems.

This paper presents a new approach for classification of dysfluent and fluent speech using Mel-Frequency Cepstral Coefficient (MFCC). The speech is fluent when person's speech flows easily and smoothly. Sounds combine into syllable, syllables mix together into words and words link into sentences with little effort. When someone's speech is dysfluent, it is irregular and does not flow effortlessly. Therefore, a dysfluency is a break in the smooth, meaningful flow of speech. Stuttering is one such disorder in which the fluent flow of speech is disrupted by occurrences of dysfluencies such as repetitions, prolongations, interjections and so on. In this work we have considered three types of dysfluencies such as repetition, prolongation and interjection to characterize dysfluent speech. After obtaining dysfluent and fluent speech, the speech signals are analyzed in order to extract MFCC features. The k-Nearest Neighbor (k-NN) and Support Vector Machine (SVM) classifiers are used to classify the speech as dysfluent and fluent speech. The 80% of the data is used for training and 20% for testing. The average accuracy of 86.67% and 93.34% is obtained for dysfluent and fluent speech respectively.

Neural network classifiers have become the de-facto choice for current "pre-train then fine-tune" paradigms of visual classification. In this paper, we investigate k-Nearest-Neighbor (k-NN) classifiers, a classical model-free learning method from the pre-deep learning era, as an augmentation to modern neural network based approaches. As a lazy learning method, k-NN simply aggregates the distance between the test image and top-k neighbors in a training set. We adopt k-NN with pre-trained visual representations produced by either supervised or self-supervised methods in two steps: (1) Leverage k-NN predicted probabilities as indications for easy vs. hard examples during training. (2) Linearly interpolate the k-NN predicted distribution with that of the augmented classifier. Via extensive experiments on a wide range of classification tasks, our study reveals the generality and flexibility of k-NN integration with additional insights: (1) k-NN achieves competitive results, sometimes even outperforming a standard linear classifier. (2) Incorporating k-NN is especially beneficial for tasks where parametric classifiers perform poorly and / or in low-data regimes. We hope these discoveries will encourage people to rethink the role of pre-deep learning, classical methods in computer vision. Our code is available at: https://github.com/KMnP/nn-revisit.

Triplet networks are widely used models that are characterized by good performance in classification and retrieval tasks. In this work we propose to train a triplet network by putting it as the discriminator in Generative Adversarial Nets (GANs). We make use of the good capability of representation learning of the discriminator to increase the predictive quality of the model. We evaluated our approach on Cifar10 and MNIST datasets and observed significant improvement on the classification performance using the simple k-nn method.

The k-Nearest Neighbor (kNN) classification approach is conceptually simple - yet widely applied since it often performs well in practical applications. However, using a global constant k does not always provide an optimal solution, e.g., for datasets with an irregular density distribution of data points. This paper proposes an adaptive kNN classifier where k is chosen dynamically for each instance (point) to be classified, such that the expected accuracy of classification is maximized. We define the expected accuracy as the accuracy of a set of structurally similar observations. An arbitrary similarity function can be used to find these observations. We introduce and evaluate different similarity functions. For the evaluation, we use five different classification tasks based on geo-spatial data. Each classification task consists of (tens of) thousands of items. We demonstrate, that the presented expected accuracy measures can be a good estimator for kNN performance, and the proposed adaptive kNN classifier outperforms common kNN and previously introduced adaptive kNN algorithms. Also, we show that the range of considered k can be significantly reduced to speed up the algorithm without negative influence on classification accuracy.

A vital and rapidly growing application, remote sensing offers vast yet sparsely labeled, spatially aligned multimodal data; this makes self-supervised learning algorithms invaluable. We present CROMA: a framework that combines contrastive and reconstruction self-supervised objectives to learn rich unimodal and multimodal representations. Our method separately encodes masked-out multispectral optical and synthetic aperture radar samples -- aligned in space and time -- and performs cross-modal contrastive learning. Another encoder fuses these sensors, producing joint multimodal encodings that are used to predict the masked patches via a lightweight decoder. We show that these objectives are complementary when leveraged on spatially aligned multimodal data. We also introduce X- and 2D-ALiBi, which spatially biases our cross- and self-attention matrices. These strategies improve representations and allow our models to effectively extrapolate to images up to 17.6x larger at test-time. CROMA outperforms the current SoTA multispectral model, evaluated on: four classification benchmarks -- finetuning (avg. 1.8%), linear (avg. 2.4%) and nonlinear (avg. 1.4%) probing, kNN classification (avg. 3.5%), and K-means clustering (avg. 8.4%); and three segmentation benchmarks (avg. 6.4%). CROMA's rich, optionally multimodal representations can be widely leveraged across remote sensing applications.

Large, pretrained models are commonly finetuned with imagery that is heavily augmented to mimic different conditions and scales, with the resulting models used for various tasks with imagery from a range of spatial scales. Such models overlook scale-specific information in the data for scale-dependent domains, such as remote sensing. In this paper, we present Scale-MAE, a pretraining method that explicitly learns relationships between data at different, known scales throughout the pretraining process. Scale-MAE pretrains a network by masking an input image at a known input scale, where the area of the Earth covered by the image determines the scale of the ViT positional encoding, not the image resolution. Scale-MAE encodes the masked image with a standard ViT backbone, and then decodes the masked image through a bandpass filter to reconstruct low/high frequency images at lower/higher scales. We find that tasking the network with reconstructing both low/high frequency images leads to robust multiscale representations for remote sensing imagery. Scale-MAE achieves an average of a 2.4 - 5.6% non-parametric kNN classification improvement across eight remote sensing datasets compared to current state-of-the-art and obtains a 0.9 mIoU to 1.7 mIoU improvement on the SpaceNet building segmentation transfer task for a range of evaluation scales.

Remote sensing imagery is dense with objects and contextual visual information. There is a recent trend to combine paired satellite images and text captions for pretraining performant encoders for downstream tasks. However, while contrastive image-text methods like CLIP enable vision-language alignment and zero-shot classification ability, vision-only downstream performance tends to degrade compared to image-only pretraining, such as MAE. In this paper, we propose FLAVARS, a pretraining method that combines the best of both contrastive learning and masked modeling, along with geospatial alignment via contrastive location encoding. We find that FLAVARS significantly outperforms a baseline of SkyCLIP for vision-only tasks such as KNN classification and semantic segmentation, +6\% mIOU on SpaceNet1, while retaining the ability to perform zero-shot classification, unlike MAE pretrained methods.

K-Nearest Neighbors (KNN) is one of the most used ML classifiers. However, if we observe closely, standard distance-weighted KNN and relative variants assume all 'k' neighbors are equally reliable. In heterogeneous feature space, this becomes a limitation that hinders reliability in predicting true levels of the observation. We propose DW-KNN (Double Weighted KNN), a transparent and robust variant that integrates exponential distance with neighbor validity. This enables instance-level interpretability, suppresses noisy or mislabeled samples, and reduces hyperparameter sensitivity. Comprehensive evaluation on 9 data-sets helps to demonstrate that DW-KNN achieves 0.8988 accuracy on average. It ranks 2nd among six methods and within 0.2% of the best-performing Ensemble KNN. It also exhibits the lowest cross-validation variance (0.0156), indicating reliable prediction stability. Statistical significance test confirmed (p < 0.001) improvement over compactness weighted KNN (+4.09\%) and Kernel weighted KNN (+1.13\%). The method provides a simple yet effective alternative to complex adaptive schemes, particularly valuable for high-stakes applications requiring explainable predictions.

Empirical neural tangent kernels (eNTKs) can provide a good understanding of a given network's representation: they are often far less expensive to compute and applicable more broadly than infinite width NTKs. For networks with O output units (e.g. an O-class classifier), however, the eNTK on N inputs is of size NO times NO, taking O((NO)^2) memory and up to O((NO)^3) computation. Most existing applications have therefore used one of a handful of approximations yielding N times N kernel matrices, saving orders of magnitude of computation, but with limited to no justification. We prove that one such approximation, which we call "sum of logits", converges to the true eNTK at initialization for any network with a wide final "readout" layer. Our experiments demonstrate the quality of this approximation for various uses across a range of settings.

This paper presents a recognition system for handwritten Pashto letters. However, handwritten character recognition is a challenging task. These letters not only differ in shape and style but also vary among individuals. The recognition becomes further daunting due to the lack of standard datasets for inscribed Pashto letters. In this work, we have designed a database of moderate size, which encompasses a total of 4488 images, stemming from 102 distinguishing samples for each of the 44 letters in Pashto. The recognition framework uses zoning feature extractor followed by K-Nearest Neighbour (KNN) and Neural Network (NN) classifiers for classifying individual letter. Based on the evaluation of the proposed system, an overall classification accuracy of approximately 70.05% is achieved by using KNN while 72% is achieved by using NN.

Kubernetes is a free, open-source container orchestration system for deploying and managing Docker containers that host microservices. Kubernetes cluster logs help in determining the reason for the failure. However, as systems become more complex, identifying failure reasons manually becomes more difficult and time-consuming. This study aims to identify effective and efficient classification algorithms to automatically determine the failure reason. We compare five classification algorithms, Support Vector Machines, K-Nearest Neighbors, Random Forest, Gradient Boosting Classifier, and Multilayer Perceptron. Our results indicate that Random Forest produces good accuracy while requiring fewer computational resources than other algorithms.

While neural networks are used for classification tasks across domains, a long-standing open problem in machine learning is determining whether neural networks trained using standard procedures are optimal for classification, i.e., whether such models minimize the probability of misclassification for arbitrary data distributions. In this work, we identify and construct an explicit set of neural network classifiers that achieve optimality. Since effective neural networks in practice are typically both wide and deep, we analyze infinitely wide networks that are also infinitely deep. In particular, using the recent connection between infinitely wide neural networks and Neural Tangent Kernels, we provide explicit activation functions that can be used to construct networks that achieve optimality. Interestingly, these activation functions are simple and easy to implement, yet differ from commonly used activations such as ReLU or sigmoid. More generally, we create a taxonomy of infinitely wide and deep networks and show that these models implement one of three well-known classifiers depending on the activation function used: (1) 1-nearest neighbor (model predictions are given by the label of the nearest training example); (2) majority vote (model predictions are given by the label of the class with greatest representation in the training set); or (3) singular kernel classifiers (a set of classifiers containing those that achieve optimality). Our results highlight the benefit of using deep networks for classification tasks, in contrast to regression tasks, where excessive depth is harmful.

Novel Class Discovery (NCD) is a growing field where we are given during training a labeled set of known classes and an unlabeled set of different classes that must be discovered. In recent years, many methods have been proposed to address this problem, and the field has begun to mature. In this paper, we provide a comprehensive survey of the state-of-the-art NCD methods. We start by formally defining the NCD problem and introducing important notions. We then give an overview of the different families of approaches, organized by the way they transfer knowledge from the labeled set to the unlabeled set. We find that they either learn in two stages, by first extracting knowledge from the labeled data only and then applying it to the unlabeled data, or in one stage by conjointly learning on both sets. For each family, we describe their general principle and detail a few representative methods. Then, we briefly introduce some new related tasks inspired by the increasing number of NCD works. We also present some common tools and techniques used in NCD, such as pseudo labeling, self-supervised learning and contrastive learning. Finally, to help readers unfamiliar with the NCD problem differentiate it from other closely related domains, we summarize some of the closest areas of research and discuss their main differences.

At initialization, artificial neural networks (ANNs) are equivalent to Gaussian processes in the infinite-width limit, thus connecting them to kernel methods. We prove that the evolution of an ANN during training can also be described by a kernel: during gradient descent on the parameters of an ANN, the network function f_theta (which maps input vectors to output vectors) follows the kernel gradient of the functional cost (which is convex, in contrast to the parameter cost) w.r.t. a new kernel: the Neural Tangent Kernel (NTK). This kernel is central to describe the generalization features of ANNs. While the NTK is random at initialization and varies during training, in the infinite-width limit it converges to an explicit limiting kernel and it stays constant during training. This makes it possible to study the training of ANNs in function space instead of parameter space. Convergence of the training can then be related to the positive-definiteness of the limiting NTK. We prove the positive-definiteness of the limiting NTK when the data is supported on the sphere and the non-linearity is non-polynomial. We then focus on the setting of least-squares regression and show that in the infinite-width limit, the network function f_theta follows a linear differential equation during training. The convergence is fastest along the largest kernel principal components of the input data with respect to the NTK, hence suggesting a theoretical motivation for early stopping. Finally we study the NTK numerically, observe its behavior for wide networks, and compare it to the infinite-width limit.

The problem of Novel Class Discovery (NCD) consists in extracting knowledge from a labeled set of known classes to accurately partition an unlabeled set of novel classes. While NCD has recently received a lot of attention from the community, it is often solved on computer vision problems and under unrealistic conditions. In particular, the number of novel classes is usually assumed to be known in advance, and their labels are sometimes used to tune hyperparameters. Methods that rely on these assumptions are not applicable in real-world scenarios. In this work, we focus on solving NCD in tabular data when no prior knowledge of the novel classes is available. To this end, we propose to tune the hyperparameters of NCD methods by adapting the k-fold cross-validation process and hiding some of the known classes in each fold. Since we have found that methods with too many hyperparameters are likely to overfit these hidden classes, we define a simple deep NCD model. This method is composed of only the essential elements necessary for the NCD problem and performs impressively well under realistic conditions. Furthermore, we find that the latent space of this method can be used to reliably estimate the number of novel classes. Additionally, we adapt two unsupervised clustering algorithms (k-means and Spectral Clustering) to leverage the knowledge of the known classes. Extensive experiments are conducted on 7 tabular datasets and demonstrate the effectiveness of the proposed method and hyperparameter tuning process, and show that the NCD problem can be solved without relying on knowledge from the novel classes.

The k-nearest neighbors (kNN) algorithm is a cornerstone of non-parametric classification in artificial intelligence, yet its deployment in large-scale applications is persistently constrained by the computational trade-off between inference speed and accuracy. Existing approximate nearest neighbor solutions accelerate retrieval but often degrade classification precision and lack adaptability in selecting the optimal neighborhood size (k). Here, we present an adaptive graph model that decouples inference latency from computational complexity. By integrating a Hierarchical Navigable Small World (HNSW) graph with a pre-computed voting mechanism, our framework completely transfers the computational burden of neighbor selection and weighting to the training phase. Within this topological structure, higher graph layers enable rapid navigation, while lower layers encode precise, node-specific decision boundaries with adaptive neighbor counts. Benchmarking against eight state-of-the-art baselines across six diverse datasets, we demonstrate that this architecture significantly accelerates inference speeds, achieving real-time performance, without compromising classification accuracy. These findings offer a scalable, robust solution to the long-standing inference bottleneck of kNN, establishing a new structural paradigm for graph-based nonparametric learning.

Wireless sensing has recently found widespread applications in diverse environments, including homes, offices, and public spaces. By analyzing patterns in channel state information (CSI), it is possible to infer human actions for tasks such as person identification, gesture recognition, and fall detection. However, CSI is highly sensitive to environmental changes, where even minor alterations can significantly distort the CSI patterns. This sensitivity often leads to performance degradation or outright failure when applying wireless sensing models trained in one environment to another. To address this challenge, Domain Alignment (DAL) has been widely adopted for cross-domain classification tasks, as it focuses on aligning the global distributions of the source and target domains in feature space. Despite its popularity, DAL often neglects inter-category relationships, which can lead to misalignment between categories across domains, even when global alignment is achieved. To overcome these limitations, we propose K-Nearest Neighbors Maximum Mean Discrepancy (KNN-MMD), a novel few-shot method for cross-domain wireless sensing. Our approach begins by constructing a help set using KNN from the target domain, enabling local alignment between the source and target domains within each category using MMD. Additionally, we address a key instability issue commonly observed in cross-domain methods, where model performance fluctuates sharply between epochs. Further, most existing methods struggle to determine an optimal stopping point during training due to the absence of labeled data from the target domain. Our method resolves this by excluding the support set from the target domain during training and employing it as a validation set to determine the stopping criterion.The dataset and code are publicly available at https://github.com/RS2002/KNN-MMD .

Diabetes, resulting from inadequate insulin production or utilization, causes extensive harm to the body. Existing diagnostic methods are often invasive and come with drawbacks, such as cost constraints. Although there are machine learning models like Classwise k Nearest Neighbor (CkNN) and General Regression Neural Network (GRNN), they struggle with imbalanced data and result in under-performance. Leveraging advancements in sensor technology and machine learning, we propose a non-invasive diabetes diagnosis using a Back Propagation Neural Network (BPNN) with batch normalization, incorporating data re-sampling and normalization for class balancing. Our method addresses existing challenges such as limited performance associated with traditional machine learning. Experimental results on three datasets show significant improvements in overall accuracy, sensitivity, and specificity compared to traditional methods. Notably, we achieve accuracies of 89.81% in Pima diabetes dataset, 75.49% in CDC BRFSS2015 dataset, and 95.28% in Mesra Diabetes dataset. This underscores the potential of deep learning models for robust diabetes diagnosis. See project website https://steve-zeyu-zhang.github.io/DiabetesDiagnosis/

Language models (LMs) compute the probability of a text by sequentially computing a representation of an already-seen context and using this representation to predict the next word. Currently, most LMs calculate these representations through a neural network consuming the immediate previous context. However recently, retrieval-augmented LMs have shown to improve over standard neural LMs, by accessing information retrieved from a large datastore, in addition to their standard, parametric, next-word prediction. In this paper, we set out to understand why retrieval-augmented language models, and specifically why k-nearest neighbor language models (kNN-LMs) perform better than standard parametric LMs, even when the k-nearest neighbor component retrieves examples from the same training set that the LM was originally trained on. To this end, we perform a careful analysis of the various dimensions over which kNN-LM diverges from standard LMs, and investigate these dimensions one by one. Empirically, we identify three main reasons why kNN-LM performs better than standard LMs: using a different input representation for predicting the next tokens, approximate kNN search, and the importance of softmax temperature for the kNN distribution. Further, we incorporate these insights into the model architecture or the training procedure of the standard parametric LM, improving its results without the need for an explicit retrieval component. The code is available at https://github.com/frankxu2004/knnlm-why.

Graph neural networks (GNNs) achieve remarkable performance in graph machine learning tasks but can be hard to train on large-graph data, where their learning dynamics are not well understood. We investigate the training dynamics of large-graph GNNs using graph neural tangent kernels (GNTKs) and graphons. In the limit of large width, optimization of an overparametrized NN is equivalent to kernel regression on the NTK. Here, we investigate how the GNTK evolves as another independent dimension is varied: the graph size. We use graphons to define limit objects -- graphon NNs for GNNs, and graphon NTKs for GNTKs -- , and prove that, on a sequence of graphs, the GNTKs converge to the graphon NTK. We further prove that the spectrum of the GNTK, which is related to the directions of fastest learning which becomes relevant during early stopping, converges to the spectrum of the graphon NTK. This implies that in the large-graph limit, the GNTK fitted on a graph of moderate size can be used to solve the same task on the large graph, and to infer the learning dynamics of the large-graph GNN. These results are verified empirically on node regression and classification tasks.

To improve patient survival and treatment outcomes, early diagnosis of brain tumors is an essential task. It is a difficult task to evaluate the magnetic resonance imaging (MRI) images manually. Thus, there is a need for digital methods for tumor diagnosis with better accuracy. However, it is still a very challenging task in assessing their shape, volume, boundaries, tumor detection, size, segmentation, and classification. In this proposed work, we propose a hybrid ensemble method using Random Forest (RF), K-Nearest Neighbour, and Decision Tree (DT) (KNN-RF-DT) based on Majority Voting Method. It aims to calculate the area of the tumor region and classify brain tumors as benign and malignant. In the beginning, segmentation is done by using Otsu's Threshold method. Feature Extraction is done by using Stationary Wavelet Transform (SWT), Principle Component Analysis (PCA), and Gray Level Co-occurrence Matrix (GLCM), which gives thirteen features for classification. The classification is done by hybrid ensemble classifier (KNN-RF-DT) based on the Majority Voting method. Overall it aimed at improving the performance by traditional classifiers instead of going to deep learning. Traditional classifiers have an advantage over deep learning algorithms because they require small datasets for training and have low computational time complexity, low cost to the users, and can be easily adopted by less skilled people. Overall, our proposed method is tested upon dataset of 2556 images, which are used in 85:15 for training and testing respectively and gives good accuracy of 97.305%.

This study provides an efficient approach for using text data to calculate patent-to-patent (p2p) technological similarity, and presents a hybrid framework for leveraging the resulting p2p similarity for applications such as semantic search and automated patent classification. We create embeddings using Sentence-BERT (SBERT) based on patent claims. We leverage SBERTs efficiency in creating embedding distance measures to map p2p similarity in large sets of patent data. We deploy our framework for classification with a simple Nearest Neighbors (KNN) model that predicts Cooperative Patent Classification (CPC) of a patent based on the class assignment of the K patents with the highest p2p similarity. We thereby validate that the p2p similarity captures their technological features in terms of CPC overlap, and at the same demonstrate the usefulness of this approach for automatic patent classification based on text data. Furthermore, the presented classification framework is simple and the results easy to interpret and evaluate by end-users. In the out-of-sample model validation, we are able to perform a multi-label prediction of all assigned CPC classes on the subclass (663) level on 1,492,294 patents with an accuracy of 54% and F1 score > 66%, which suggests that our model outperforms the current state-of-the-art in text-based multi-label and multi-class patent classification. We furthermore discuss the applicability of the presented framework for semantic IP search, patent landscaping, and technology intelligence. We finally point towards a future research agenda for leveraging multi-source patent embeddings, their appropriateness across applications, as well as to improve and validate patent embeddings by creating domain-expert curated Semantic Textual Similarity (STS) benchmark datasets.

Multi-label classification (MLC) requires predicting multiple labels per sample, often under heavy class imbalance and noisy conditions. Traditional approaches apply fixed thresholds or treat labels independently, overlooking context and global rarity. We introduce an adaptive thresholding mechanism that fuses global (IDF-based) and local (KNN-based) signals to produce per-label, per-instance thresholds. Instead of applying these as hard cutoffs, we treat them as differentiable penalties in the loss, providing smooth supervision and better calibration. Our architecture is lightweight, interpretable, and highly modular. On the AmazonCat-13K benchmark, it achieves a macro-F1 of 0.1712, substantially outperforming tree-based and pretrained transformer-based methods. We release full code for reproducibility and future extensions.

In this paper, we propose a machine learning-based method for automatically classifying honey botanical origins. Dataset preparation, feature extraction, and classification are the three main steps of the proposed method. We use a class transformation method in the dataset preparation phase to maximize the separability across classes. The feature extraction phase employs the Linear Discriminant Analysis (LDA) technique for extracting relevant features and reducing the number of dimensions. In the classification phase, we use Support Vector Machines (SVM) and K-Nearest Neighbors (KNN) models to classify the extracted features of honey samples into their botanical origins. We evaluate our system using a standard honey hyperspectral imaging (HSI) dataset. Experimental findings demonstrate that the proposed system produces state-of-the-art results on this dataset, achieving the highest classification accuracy of 95.13% for hyperspectral image-based classification and 92.80% for hyperspectral instance-based classification.

Classification tasks in NLP are typically addressed by selecting a pre-trained language model (PLM) from a model hub, and fine-tuning it for the task at hand. However, given the very large number of PLMs that are currently available, a practical challenge is to determine which of them will perform best for a specific downstream task. With this paper, we introduce TransformerRanker, a lightweight library that efficiently ranks PLMs for classification tasks without the need for computationally costly fine-tuning. Our library implements current approaches for transferability estimation (LogME, H-Score, kNN), in combination with layer aggregation options, which we empirically showed to yield state-of-the-art rankings of PLMs (Garbas et al., 2024). We designed the interface to be lightweight and easy to use, allowing users to directly connect to the HuggingFace Transformers and Dataset libraries. Users need only select a downstream classification task and a list of PLMs to create a ranking of likely best-suited PLMs for their task. We make TransformerRanker available as a pip-installable open-source library https://github.com/flairNLP/transformer-ranker.

Purpose: This study investigated how nodule segmentation and surrounding peritumoral regions influence radionics-based lung cancer classification. Methods: Using 3D CT scans with bounding box annotated nodules, we generated 3D segmentations using four techniques: Otsu, Fuzzy C-Means (FCM), Gaussian Mixture Model (GMM), and K-Nearest Neighbors (KNN). Radiomics features were extracted using the PyRadiomics library, and multiple machine-learning-based classifiers, including Random Forest, Logistic Regression, and KNN, were employed to classify nodules as cancerous or non-cancerous. The best-performing segmentation and model were further analyzed by expanding the initial nodule segmentation into the peritumoral region (2, 4, 6, 8, 10, and 12 mm) to understand the influence of the surrounding area on classification. Additionally, we compared our results to deep learning-based feature extractors Foundation Model for Cancer Biomarkers (FMCB) and other state-of-the-art baseline models. Results: Incorporating peritumoral regions significantly enhanced performance, with the best result obtained at 8 mm expansion (AUC = 0.78). Compared to image-based deep learning models, such as FMCB (AUC = 0.71) and ResNet50-SWS++ (AUC = 0.71), our radiomics-based approach demonstrated superior classification accuracy. Conclusion: The study highlights the importance of peritumoral expansion in improving lung cancer classification using radiomics. These findings can inform the development of more robust AI-driven diagnostic tools.

Knowledge Distillation (KD) uses the teacher's prediction logits as soft labels to guide the student, while self-KD does not need a real teacher to require the soft labels. This work unifies the formulations of the two tasks by decomposing and reorganizing the generic KD loss into a Normalized KD (NKD) loss and customized soft labels for both target class (image's category) and non-target classes named Universal Self-Knowledge Distillation (USKD). We decompose the KD loss and find the non-target loss from it forces the student's non-target logits to match the teacher's, but the sum of the two non-target logits is different, preventing them from being identical. NKD normalizes the non-target logits to equalize their sum. It can be generally used for KD and self-KD to better use the soft labels for distillation loss. USKD generates customized soft labels for both target and non-target classes without a teacher. It smooths the target logit of the student as the soft target label and uses the rank of the intermediate feature to generate the soft non-target labels with Zipf's law. For KD with teachers, our NKD achieves state-of-the-art performance on CIFAR-100 and ImageNet datasets, boosting the ImageNet Top-1 accuracy of ResNet18 from 69.90% to 71.96% with a ResNet-34 teacher. For self-KD without teachers, USKD is the first self-KD method that can be effectively applied to both CNN and ViT models with negligible additional time and memory cost, resulting in new state-of-the-art results, such as 1.17% and 0.55% accuracy gains on ImageNet for MobileNet and DeiT-Tiny, respectively. Our codes are available at https://github.com/yzd-v/cls_KD.

Artificial neural nets can represent and classify many types of data but are often tailored to particular applications -- e.g., for "fair" or "hierarchical" classification. Once an architecture has been selected, it is often difficult for humans to adjust models for a new task; for example, a hierarchical classifier cannot be easily transformed into a fair classifier that shields a protected field. Our contribution in this work is a new neural network architecture, the concept subspace network (CSN), which generalizes existing specialized classifiers to produce a unified model capable of learning a spectrum of multi-concept relationships. We demonstrate that CSNs reproduce state-of-the-art results in fair classification when enforcing concept independence, may be transformed into hierarchical classifiers, or even reconcile fairness and hierarchy within a single classifier. The CSN is inspired by existing prototype-based classifiers that promote interpretability.

A wide range of deep learning-based machine learning techniques are extensively applied to the design of high-entropy alloys (HEAs), yielding numerous valuable insights. Kolmogorov-Arnold Networks (KAN) is a recently developed architecture that aims to improve both the accuracy and interpretability of input features. In this work, we explore three different datasets for HEA design and demonstrate the application of KAN for both classification and regression models. In the first example, we use a KAN classification model to predict the probability of single-phase formation in high-entropy carbide ceramics based on various properties such as mixing enthalpy and valence electron concentration. In the second example, we employ a KAN regression model to predict the yield strength and ultimate tensile strength of HEAs based on their chemical composition and process conditions including annealing time, cold rolling percentage, and homogenization temperature. The third example involves a KAN classification model to determine whether a certain composition is an HEA or non-HEA, followed by a KAN regressor model to predict the bulk modulus of the identified HEA, aiming to identify HEAs with high bulk modulus. In all three examples, KAN either outperform or match the performance in terms of accuracy such as F1 score for classification and Mean Square Error (MSE), and coefficient of determination (R2) for regression of the multilayer perceptron (MLP) by demonstrating the efficacy of KAN in handling both classification and regression tasks. We provide a promising direction for future research to explore advanced machine learning techniques, which lead to more accurate predictions and better interpretability of complex materials, ultimately accelerating the discovery and optimization of HEAs with desirable properties.

The widespread enthusiasm for deep learning has recently expanded into the domain of tabular data. Recognizing that the advancement in deep tabular methods is often inspired by classical methods, e.g., integration of nearest neighbors into neural networks, we investigate whether these classical methods can be revitalized with modern techniques. We revisit a differentiable version of K-nearest neighbors (KNN) -- Neighbourhood Components Analysis (NCA) -- originally designed to learn a linear projection to capture semantic similarities between instances, and seek to gradually add modern deep learning techniques on top. Surprisingly, our implementation of NCA using SGD and without dimensionality reduction already achieves decent performance on tabular data, in contrast to the results of using existing toolboxes like scikit-learn. Further equipping NCA with deep representations and additional training stochasticity significantly enhances its capability, being on par with the leading tree-based method CatBoost and outperforming existing deep tabular models in both classification and regression tasks on 300 datasets. We conclude our paper by analyzing the factors behind these improvements, including loss functions, prediction strategies, and deep architectures. The code is available at https://github.com/qile2000/LAMDA-TALENT.

The integration of deep learning systems into the medical domain has been hindered by the resource-intensive process of data annotation and the inability of these systems to generalize to different data distributions. Foundation models, which are models pre-trained on large datasets, have emerged as a solution to reduce reliance on annotated data and enhance model generalizability and robustness. DINOv2, an open-source foundation model pre-trained with self-supervised learning on 142 million curated natural images, excels in extracting general-purpose visual representations, exhibiting promising capabilities across various vision tasks. Nevertheless, a critical question remains unanswered regarding DINOv2's adaptability to radiological imaging, and the clarity on whether its features are sufficiently general to benefit radiology image analysis is yet to be established. Therefore, this study comprehensively evaluates DINOv2 for radiology, conducting over 100 experiments across diverse modalities (X-ray, CT, and MRI). Tasks include disease classification and organ segmentation on both 2D and 3D images, evaluated under different settings like kNN, few-shot learning, linear-probing, end-to-end fine-tuning, and parameter-efficient fine-tuning, to measure the effectiveness and generalizability of the DINOv2 feature embeddings. Comparative analyses with established medical image analysis models, U-Net and TransUnet for segmentation, and CNN and ViT models pre-trained via supervised, weakly supervised, and self-supervised learning for classification, reveal DINOv2's superior performance in segmentation tasks and competitive results in disease classification. The findings contribute insights to potential avenues for optimizing pre-training strategies for medical imaging and enhancing the broader understanding of DINOv2's role in bridging the gap between natural and radiological image analysis.

Motor impairments, frequently caused by neurological incidents like strokes or traumatic brain injuries, present substantial obstacles in rehabilitation therapy. This research aims to elevate the field by optimizing motor imagery classification algorithms within Brain-Computer Interfaces (BCIs). By improving the efficiency of BCIs, we offer a novel approach that holds significant promise for enhancing motor rehabilitation outcomes. Utilizing unsupervised techniques for dimensionality reduction, namely Uniform Manifold Approximation and Projection (UMAP) coupled with K-Nearest Neighbors (KNN), we evaluate the necessity of employing supervised methods such as Long Short-Term Memory (LSTM) and Convolutional Neural Networks (CNNs) for classification tasks. Importantly, participants who exhibited high KNN scores following UMAP dimensionality reduction also achieved high accuracy in supervised deep learning (DL) models. Due to individualized model requirements and massive neural training data, dimensionality reduction becomes an effective preprocessing step that minimizes the need for extensive data labeling and supervised deep learning techniques. This approach has significant implications not only for targeted therapies in motor dysfunction but also for addressing regulatory, safety, and reliability concerns in the rapidly evolving BCI field.

Explaining artificial intelligence (AI) predictions is increasingly important and even imperative in many high-stakes applications where humans are the ultimate decision-makers. In this work, we propose two novel architectures of self-interpretable image classifiers that first explain, and then predict (as opposed to post-hoc explanations) by harnessing the visual correspondences between a query image and exemplars. Our models consistently improve (by 1 to 4 points) on out-of-distribution (OOD) datasets while performing marginally worse (by 1 to 2 points) on in-distribution tests than ResNet-50 and a k-nearest neighbor classifier (kNN). Via a large-scale, human study on ImageNet and CUB, our correspondence-based explanations are found to be more useful to users than kNN explanations. Our explanations help users more accurately reject AI's wrong decisions than all other tested methods. Interestingly, for the first time, we show that it is possible to achieve complementary human-AI team accuracy (i.e., that is higher than either AI-alone or human-alone), in ImageNet and CUB image classification tasks.

We propose Spatio-temporal Crop Aggregation for video representation LEarning (SCALE), a novel method that enjoys high scalability at both training and inference time. Our model builds long-range video features by learning from sets of video clip-level features extracted with a pre-trained backbone. To train the model, we propose a self-supervised objective consisting of masked clip feature prediction. We apply sparsity to both the input, by extracting a random set of video clips, and to the loss function, by only reconstructing the sparse inputs. Moreover, we use dimensionality reduction by working in the latent space of a pre-trained backbone applied to single video clips. These techniques make our method not only extremely efficient to train but also highly effective in transfer learning. We demonstrate that our video representation yields state-of-the-art performance with linear, non-linear, and KNN probing on common action classification and video understanding datasets.

Mining data streams with multi-label outputs poses significant challenges due to evolving distributions, high-dimensional label spaces, sparse label occurrences, and complex label dependencies. Moreover, concept drift affects not only input distributions but also label correlations and imbalance ratios over time, complicating model adaptation. To address these challenges, structured learners are categorized into local and global methods. Local methods break down the task into simpler components, while global methods adapt the algorithm to the full output space, potentially yielding better predictions by exploiting label correlations. This work introduces iHOMER (Incremental Hierarchy Of Multi-label Classifiers), an online multi-label learning framework that incrementally partitions the label space into disjoint, correlated clusters without relying on predefined hierarchies. iHOMER leverages online divisive-agglomerative clustering based on Jaccard similarity and a global tree-based learner driven by a multivariate Bernoulli process to guide instance partitioning. To address non-stationarity, it integrates drift detection mechanisms at both global and local levels, enabling dynamic restructuring of label partitions and subtrees. Experiments across 23 real-world datasets show iHOMER outperforms 5 state-of-the-art global baselines, such as MLHAT, MLHT of Pruned Sets and iSOUPT, by 23\%, and 12 local baselines, such as binary relevance transformations of kNN, EFDT, ARF, and ADWIN bagging/boosting ensembles, by 32\%, establishing its robustness for online multi-label classification.

Deep neural networks (DNNs) are often used for text classification tasks as they usually achieve high levels of accuracy. However, DNNs can be computationally intensive with billions of parameters and large amounts of labeled data, which can make them expensive to use, to optimize and to transfer to out-of-distribution (OOD) cases in practice. In this paper, we propose a non-parametric alternative to DNNs that's easy, light-weight and universal in text classification: a combination of a simple compressor like gzip with a k-nearest-neighbor classifier. Without any training, pre-training or fine-tuning, our method achieves results that are competitive with non-pretrained deep learning methods on six in-distributed datasets. It even outperforms BERT on all five OOD datasets, including four low-resource languages. Our method also performs particularly well in few-shot settings where labeled data are too scarce for DNNs to achieve a satisfying accuracy.

Recently, Qiao, Duan, and Cheng~(2019) proposed a distributed nearest-neighbor classification method, in which a massive dataset is split into smaller groups, each processed with a k-nearest-neighbor classifier, and the final class label is predicted by a majority vote among these groupwise class labels. This paper shows that the distributed algorithm with k=1 over a sufficiently large number of groups attains a minimax optimal error rate up to a multiplicative logarithmic factor under some regularity conditions, for both regression and classification problems. Roughly speaking, distributed 1-nearest-neighbor rules with M groups has a performance comparable to standard Theta(M)-nearest-neighbor rules. In the analysis, alternative rules with a refined aggregation method are proposed and shown to attain exact minimax optimal rates.

Recent research shows that the dynamics of an infinitely wide neural network (NN) trained by gradient descent can be characterized by Neural Tangent Kernel (NTK) jacot2018neural. Under the squared loss, the infinite-width NN trained by gradient descent with an infinitely small learning rate is equivalent to kernel regression with NTK arora2019exact. However, the equivalence is only known for ridge regression currently arora2019harnessing, while the equivalence between NN and other kernel machines (KMs), e.g. support vector machine (SVM), remains unknown. Therefore, in this work, we propose to establish the equivalence between NN and SVM, and specifically, the infinitely wide NN trained by soft margin loss and the standard soft margin SVM with NTK trained by subgradient descent. Our main theoretical results include establishing the equivalences between NNs and a broad family of ell_2 regularized KMs with finite-width bounds, which cannot be handled by prior work, and showing that every finite-width NN trained by such regularized loss functions is approximately a KM. Furthermore, we demonstrate our theory can enable three practical applications, including (i) non-vacuous generalization bound of NN via the corresponding KM; (ii) non-trivial robustness certificate for the infinite-width NN (while existing robustness verification methods would provide vacuous bounds); (iii) intrinsically more robust infinite-width NNs than those from previous kernel regression. Our code for the experiments is available at https://github.com/leslie-CH/equiv-nn-svm.

The increasing use of machine learning in clinical decision support has been limited by the lack of transparency of many high-performing models. In clinical settings, predictions must be interpretable, auditable, and actionable. This study investigates Kolmogorov-Arnold Networks (KANs) as intrinsically interpretable alternatives to conventional black-box models for clinical classification of tabular health data, aiming to balance predictive performance with clinically meaningful transparency. We introduce two KAN-based models: the Logistic KAN, a flexible generalization of logistic regression, and the Kolmogorov-Arnold Additive Model (KAAM), an additive variant that yields transparent symbolic representations through feature-wise decomposability. Both models are evaluated on multiple public clinical datasets and compared with standard linear, tree-based, and neural baselines. Across all datasets, the proposed models achieve predictive performance comparable to or exceeding that of commonly used baselines while remaining fully interpretable. Logistic-KAN obtains the highest overall ranking across evaluation metrics, with a mean reciprocal rank of 0.76, indicating consistently strong performance across tasks. KAAM provides competitive accuracy while offering enhanced transparency through feature-wise decomposability, patient-level visualizations, and nearest-patient retrieval, enabling direct inspection of individual predictions. KAN-based models provide a practical and trustworthy alternative to black-box models for clinical classification, offering a strong balance between predictive performance and interpretability for clinical decision support. By enabling transparent, patient-level reasoning and clinically actionable insights, the proposed models represent a promising step toward trustworthy AI in healthcare (code: https://github.com/Patricia-A-Apellaniz/classification_with_kans).

The multilayer perceptron (MLP), a fundamental paradigm in current artificial intelligence, is widely applied in fields such as computer vision and natural language processing. However, the recently proposed Kolmogorov-Arnold Network (KAN), based on nonlinear additive connections, has been proven to achieve performance comparable to MLPs with significantly fewer parameters. Despite this potential, the use of a single activation function space results in reduced performance of KAN and related works across different tasks. To address this issue, we propose an activation space Selectable KAN (S-KAN). S-KAN employs an adaptive strategy to choose the possible activation mode for data at each feedforward KAN node. Our approach outperforms baseline methods in seven representative function fitting tasks and significantly surpasses MLP methods with the same level of parameters. Furthermore, we extend the structure of S-KAN and propose an activation space selectable Convolutional KAN (S-ConvKAN), which achieves leading results on four general image classification datasets. Our method mitigates the performance variability of the original KAN across different tasks and demonstrates through extensive experiments that feedforward KANs with selectable activations can achieve or even exceed the performance of MLP-based methods. This work contributes to the understanding of the data-centric design of new AI paradigms and provides a foundational reference for innovations in KAN-based network architectures.

Categorical variables often appear in datasets for classification and regression tasks, and they need to be encoded into numerical values before training. Since many encoders have been developed and can significantly impact performance, choosing the appropriate encoder for a task becomes a time-consuming yet important practical issue. This study broadly classifies machine learning models into three categories: 1) ATI models that implicitly perform affine transformations on inputs, such as multi-layer perceptron neural network; 2) Tree-based models that are based on decision trees, such as random forest; and 3) the rest, such as kNN. Theoretically, we prove that the one-hot encoder is the best choice for ATI models in the sense that it can mimic any other encoders by learning suitable weights from the data. We also explain why the target encoder and its variants are the most suitable encoders for tree-based models. This study conducted comprehensive computational experiments to evaluate 14 encoders, including one-hot and target encoders, along with eight common machine-learning models on 28 datasets. The computational results agree with our theoretical analysis. The findings in this study shed light on how to select the suitable encoder for data scientists in fields such as fraud detection, disease diagnosis, etc.

Although deep neural networks achieve tremendous success on various classification tasks, the generalization ability drops sheer when training datasets exhibit long-tailed distributions. One of the reasons is that the learned representations (i.e. features) from the imbalanced datasets are less effective than those from balanced datasets. Specifically, the learned representation under class-balanced distribution will present the Neural Collapse (NC) phenomena. NC indicates the features from the same category are close to each other and from different categories are maximally distant, showing an optimal linear separable state of classification. However, the pattern differs on imbalanced datasets and is partially responsible for the reduced performance of the model. In this work, we propose two explicit feature regularization terms to learn high-quality representation for class-imbalanced data. With the proposed regularization, NC phenomena will appear under the class-imbalanced distribution, and the generalization ability can be significantly improved. Our method is easily implemented, highly effective, and can be plugged into most existing methods. The extensive experimental results on widely-used benchmarks show the effectiveness of our method

We propose a direct estimation method for R\'{e}nyi and f-divergence measures based on a new graph theoretical interpretation. Suppose that we are given two sample sets X and Y, respectively with N and M samples, where eta:=M/N is a constant value. Considering the k-nearest neighbor (k-NN) graph of Y in the joint data set (X,Y), we show that the average powered ratio of the number of X points to the number of Y points among all k-NN points is proportional to R\'{e}nyi divergence of X and Y densities. A similar method can also be used to estimate f-divergence measures. We derive bias and variance rates, and show that for the class of gamma-H\"{o}lder smooth functions, the estimator achieves the MSE rate of O(N^{-2gamma/(gamma+d)}). Furthermore, by using a weighted ensemble estimation technique, for density functions with continuous and bounded derivatives of up to the order d, and some extra conditions at the support set boundary, we derive an ensemble estimator that achieves the parametric MSE rate of O(1/N). Our estimators are more computationally tractable than other competing estimators, which makes them appealing in many practical applications.

Recently, it has been observed that when representations are learnt in a way that encourages sparsity, improved performance is obtained on classification tasks. These methods involve combinations of activation functions, sampling steps and different kinds of penalties. To investigate the effectiveness of sparsity by itself, we propose the k-sparse autoencoder, which is an autoencoder with linear activation function, where in hidden layers only the k highest activities are kept. When applied to the MNIST and NORB datasets, we find that this method achieves better classification results than denoising autoencoders, networks trained with dropout, and RBMs. k-sparse autoencoders are simple to train and the encoding stage is very fast, making them well-suited to large problem sizes, where conventional sparse coding algorithms cannot be applied.

Developing Intelligent Systems involves artificial intelligence approaches including artificial neural networks. Here, we present a tutorial of Deep Neural Networks (DNNs), and some insights about the origin of the term "deep"; references to deep learning are also given. Restricted Boltzmann Machines, which are the core of DNNs, are discussed in detail. An example of a simple two-layer network, performing unsupervised learning for unlabeled data, is shown. Deep Belief Networks (DBNs), which are used to build networks with more than two layers, are also described. Moreover, examples for supervised learning with DNNs performing simple prediction and classification tasks, are presented and explained. This tutorial includes two intelligent pattern recognition applications: hand- written digits (benchmark known as MNIST) and speech recognition.

High-dimensional datasets require effective feature selection to improve predictive performance, interpretability, and robustness. We propose and evaluate feature selection methods for tabular datasets based on Kolmogorov-Arnold networks (KANs), which parameterize feature transformations through splines, enabling direct access to interpretable importance measures. We introduce four KAN-based selectors (KAN-L1, KAN-L2, KAN-SI, KAN-KO) and compare them against classical baselines (LASSO, Random Forest, Mutual Information, SVM-RFE) across multiple classification and regression tabular dataset benchmarks. Average (over three retention levels: 20\%, 40\%, and 60\%) F1 scores and R^2 score results reveal that KAN-based selectors, particularly KAN-L2, KAN-L1, KAN-SI, and KAN-KO, are competitive with and sometimes superior to classical baselines in structured and synthetic datasets. However, KAN-L1 is often too aggressive in regression, removing useful features, while KAN-L2 underperforms in classification, where simple coefficient shrinkage misses complex feature interactions. KAN-L2 and KAN-SI provide robust performance on noisy regression datasets and heterogeneous datasets, aligning closely with ensemble predictors. In classification tasks, KAN selectors such as KAN-L1, KAN-KO, and KAN-SI sometimes surpass the other selectors by eliminating redundancy, particularly in high-dimensional multi-class data. Overall, our findings demonstrate that KAN-based feature selection provides a powerful and interpretable alternative to traditional methods, capable of uncovering nonlinear and multivariate feature relevance beyond sparsity or impurity-based measures.

Machine learning especially deep neural networks have achieved great success but many of them often rely on a number of labeled samples for supervision. As sufficient labeled training data are not always ready due to e.g., continuously emerging prediction targets and costly sample annotation in real world applications, machine learning with sample shortage is now being widely investigated. Among all these studies, many prefer to utilize auxiliary information including those in the form of Knowledge Graph (KG) to reduce the reliance on labeled samples. In this survey, we have comprehensively reviewed over 90 papers about KG-aware research for two major sample shortage settings -- zero-shot learning (ZSL) where some classes to be predicted have no labeled samples, and few-shot learning (FSL) where some classes to be predicted have only a small number of labeled samples that are available. We first introduce KGs used in ZSL and FSL as well as their construction methods, and then systematically categorize and summarize KG-aware ZSL and FSL methods, dividing them into different paradigms such as the mapping-based, the data augmentation, the propagation-based and the optimization-based. We next present different applications, including not only KG augmented prediction tasks such as image classification, question answering, text classification and knowledge extraction, but also KG completion tasks, and some typical evaluation resources for each task. We eventually discuss some challenges and open problems from different perspectives.

Natural language processing (NLP) and neural networks (NNs) have both undergone significant changes in recent years. For active learning (AL) purposes, NNs are, however, less commonly used -- despite their current popularity. By using the superior text classification performance of NNs for AL, we can either increase a model's performance using the same amount of data or reduce the data and therefore the required annotation efforts while keeping the same performance. We review AL for text classification using deep neural networks (DNNs) and elaborate on two main causes which used to hinder the adoption: (a) the inability of NNs to provide reliable uncertainty estimates, on which the most commonly used query strategies rely, and (b) the challenge of training DNNs on small data. To investigate the former, we construct a taxonomy of query strategies, which distinguishes between data-based, model-based, and prediction-based instance selection, and investigate the prevalence of these classes in recent research. Moreover, we review recent NN-based advances in NLP like word embeddings or language models in the context of (D)NNs, survey the current state-of-the-art at the intersection of AL, text classification, and DNNs and relate recent advances in NLP to AL. Finally, we analyze recent work in AL for text classification, connect the respective query strategies to the taxonomy, and outline commonalities and shortcomings. As a result, we highlight gaps in current research and present open research questions.

Deep learning models have revolutionized various domains, with Multi-Layer Perceptrons (MLPs) being a cornerstone for tasks like data regression and image classification. However, a recent study has introduced Kolmogorov-Arnold Networks (KANs) as promising alternatives to MLPs, leveraging activation functions placed on edges rather than nodes. This structural shift aligns KANs closely with the Kolmogorov-Arnold representation theorem, potentially enhancing both model accuracy and interpretability. In this study, we explore the efficacy of KANs in the context of data representation via autoencoders, comparing their performance with traditional Convolutional Neural Networks (CNNs) on the MNIST, SVHN, and CIFAR-10 datasets. Our results demonstrate that KAN-based autoencoders achieve competitive performance in terms of reconstruction accuracy, thereby suggesting their viability as effective tools in data analysis tasks.

Neural Module Network (NMN) is a machine learning model for solving the visual question answering tasks. NMN uses programs to encode modules' structures, and its modularized architecture enables it to solve logical problems more reasonably. However, because of the non-differentiable procedure of module selection, NMN is hard to be trained end-to-end. To overcome this problem, existing work either included ground-truth program into training data or applied reinforcement learning to explore the program. However, both of these methods still have weaknesses. In consideration of this, we proposed a new learning framework for NMN. Graph-based Heuristic Search is the algorithm we proposed to discover the optimal program through a heuristic search on the data structure named Program Graph. Our experiments on FigureQA and CLEVR dataset show that our methods can realize the training of NMN without ground-truth programs and achieve superior efficiency over existing reinforcement learning methods in program exploration.

Recent progress in text classification has been focused on high-resource languages such as English and Chinese. For low-resource languages, amongst them most African languages, the lack of well-annotated data and effective preprocessing, is hindering the progress and the transfer of successful methods. In this paper, we introduce two news datasets (KINNEWS and KIRNEWS) for multi-class classification of news articles in Kinyarwanda and Kirundi, two low-resource African languages. The two languages are mutually intelligible, but while Kinyarwanda has been studied in Natural Language Processing (NLP) to some extent, this work constitutes the first study on Kirundi. Along with the datasets, we provide statistics, guidelines for preprocessing, and monolingual and cross-lingual baseline models. Our experiments show that training embeddings on the relatively higher-resourced Kinyarwanda yields successful cross-lingual transfer to Kirundi. In addition, the design of the created datasets allows for a wider use in NLP beyond text classification in future studies, such as representation learning, cross-lingual learning with more distant languages, or as base for new annotations for tasks such as parsing, POS tagging, and NER. The datasets, stopwords, and pre-trained embeddings are publicly available at https://github.com/Andrews2017/KINNEWS-and-KIRNEWS-Corpus .

As its width tends to infinity, a deep neural network's behavior under gradient descent can become simplified and predictable (e.g. given by the Neural Tangent Kernel (NTK)), if it is parametrized appropriately (e.g. the NTK parametrization). However, we show that the standard and NTK parametrizations of a neural network do not admit infinite-width limits that can learn features, which is crucial for pretraining and transfer learning such as with BERT. We propose simple modifications to the standard parametrization to allow for feature learning in the limit. Using the *Tensor Programs* technique, we derive explicit formulas for such limits. On Word2Vec and few-shot learning on Omniglot via MAML, two canonical tasks that rely crucially on feature learning, we compute these limits exactly. We find that they outperform both NTK baselines and finite-width networks, with the latter approaching the infinite-width feature learning performance as width increases. More generally, we classify a natural space of neural network parametrizations that generalizes standard, NTK, and Mean Field parametrizations. We show 1) any parametrization in this space either admits feature learning or has an infinite-width training dynamics given by kernel gradient descent, but not both; 2) any such infinite-width limit can be computed using the Tensor Programs technique. Code for our experiments can be found at github.com/edwardjhu/TP4.

Graph Neural Networks (GNNs) are popular models for graph learning problems. GNNs show strong empirical performance in many practical tasks. However, the theoretical properties have not been completely elucidated. In this paper, we investigate whether GNNs can exploit the graph structure from the perspective of the expressive power of GNNs. In our analysis, we consider graph generation processes that are controlled by hidden (or latent) node features, which contain all information about the graph structure. A typical example of this framework is kNN graphs constructed from the hidden features. In our main results, we show that GNNs can recover the hidden node features from the input graph alone, even when all node features, including the hidden features themselves and any indirect hints, are unavailable. GNNs can further use the recovered node features for downstream tasks. These results show that GNNs can fully exploit the graph structure by themselves, and in effect, GNNs can use both the hidden and explicit node features for downstream tasks. In the experiments, we confirm the validity of our results by showing that GNNs can accurately recover the hidden features using a GNN architecture built based on our theoretical analysis.

Kolmogorov-Arnold Networks (KAN) are a new class of neural network architecture representing a promising alternative to the Multilayer Perceptron (MLP), demonstrating improved expressiveness and interpretability. However, KANs suffer from slow training and inference speeds relative to MLPs due in part to the recursive nature of the underlying B-spline calculations. This issue is particularly apparent with respect to KANs utilizing high-degree B-splines, as the number of required non-parallelizable recursions is proportional to B-spline degree. We solve this issue by proposing MatrixKAN, a novel optimization that parallelizes B-spline calculations with matrix representation and operations, thus significantly improving effective computation time for models utilizing high-degree B-splines. In this paper, we demonstrate the superior scaling of MatrixKAN's computation time relative to B-spline degree. Further, our experiments demonstrate speedups of approximately 40x relative to KAN, with significant additional speedup potential for larger datasets or higher spline degrees.

In this work we explore the latency and accuracy of keyword spotting (KWS) models in streaming and non-streaming modes on mobile phones. NN model conversion from non-streaming mode (model receives the whole input sequence and then returns the classification result) to streaming mode (model receives portion of the input sequence and classifies it incrementally) may require manual model rewriting. We address this by designing a Tensorflow/Keras based library which allows automatic conversion of non-streaming models to streaming ones with minimum effort. With this library we benchmark multiple KWS models in both streaming and non-streaming modes on mobile phones and demonstrate different tradeoffs between latency and accuracy. We also explore novel KWS models with multi-head attention which reduce the classification error over the state-of-art by 10% on Google speech commands data sets V2. The streaming library with all experiments is open-sourced.

To reduce the overwhelming size of Deep Neural Networks (DNN) teacher-student methodology tries to transfer knowledge from a complex teacher network to a simple student network. We instead propose a novel method called the teacher-class network consisting of a single teacher and multiple student networks (i.e. class of students). Instead of transferring knowledge to one student only, the proposed method transfers a chunk of knowledge to each student. Our students are not trained for problem-specific logits, they are trained to mimic knowledge (dense representation) learned by the teacher network thus the combined knowledge learned by the class of students can be used to solve other problems as well. The proposed teacher-class architecture is evaluated on several benchmark datasets such as MNIST, Fashion MNIST, IMDB Movie Reviews, CAMVid, CIFAR-10 and ImageNet on multiple tasks including image classification, sentiment classification and segmentation. Our approach outperforms the state of-the-art single student approach in terms of accuracy as well as computational cost while achieving 10-30 times reduction in parameters.

In this work, we explore the use of a novel neural network architecture, the Kolmogorov-Arnold Networks (KANs) as feature extractors for sensor-based (specifically IMU) Human Activity Recognition (HAR). Where conventional networks perform a parameterized weighted sum of the inputs at each node and then feed the result into a statically defined nonlinearity, KANs perform non-linear computations represented by B-SPLINES on the edges leading to each node and then just sum up the inputs at the node. Instead of learning weights, the system learns the spline parameters. In the original work, such networks have been shown to be able to more efficiently and exactly learn sophisticated real valued functions e.g. in regression or PDE solution. We hypothesize that such an ability is also advantageous for computing low-level features for IMU-based HAR. To this end, we have implemented KAN as the feature extraction architecture for IMU-based human activity recognition tasks, including four architecture variations. We present an initial performance investigation of the KAN feature extractor on four public HAR datasets. It shows that the KAN-based feature extractor outperforms CNN-based extractors on all datasets while being more parameter efficient.

Despite the success of neural networks (NNs), there is still a concern among many over their "black box" nature. Why do they work? Here we present a simple analytic argument that NNs are in fact essentially polynomial regression models. This view will have various implications for NNs, e.g. providing an explanation for why convergence problems arise in NNs, and it gives rough guidance on avoiding overfitting. In addition, we use this phenomenon to predict and confirm a multicollinearity property of NNs not previously reported in the literature. Most importantly, given this loose correspondence, one may choose to routinely use polynomial models instead of NNs, thus avoiding some major problems of the latter, such as having to set many tuning parameters and dealing with convergence issues. We present a number of empirical results; in each case, the accuracy of the polynomial approach matches or exceeds that of NN approaches. A many-featured, open-source software package, polyreg, is available.

Standard infinite-width limits of neural networks sacrifice the ability for intermediate layers to learn representations from data. Recent work (A theory of representation learning gives a deep generalisation of kernel methods, Yang et al. 2023) modified the Neural Network Gaussian Process (NNGP) limit of Bayesian neural networks so that representation learning is retained. Furthermore, they found that applying this modified limit to a deep Gaussian process gives a practical learning algorithm which they dubbed the deep kernel machine (DKM). However, they only considered the simplest possible setting: regression in small, fully connected networks with e.g. 10 input features. Here, we introduce convolutional deep kernel machines. This required us to develop a novel inter-domain inducing point approximation, as well as introducing and experimentally assessing a number of techniques not previously seen in DKMs, including analogues to batch normalisation, different likelihoods, and different types of top-layer. The resulting model trains in roughly 77 GPU hours, achieving around 99% test accuracy on MNIST, 72% on CIFAR-100, and 92.7% on CIFAR-10, which is SOTA for kernel methods.

Deep neural networks (DNNs) have been applied in class incremental learning, which aims to solve common real-world problems of learning new classes continually. One drawback of standard DNNs is that they are prone to catastrophic forgetting. Knowledge distillation (KD) is a commonly used technique to alleviate this problem. In this paper, we demonstrate it can indeed help the model to output more discriminative results within old classes. However, it cannot alleviate the problem that the model tends to classify objects into new classes, causing the positive effect of KD to be hidden and limited. We observed that an important factor causing catastrophic forgetting is that the weights in the last fully connected (FC) layer are highly biased in class incremental learning. In this paper, we propose a simple and effective solution motivated by the aforementioned observations to address catastrophic forgetting. Firstly, we utilize KD to maintain the discrimination within old classes. Then, to further maintain the fairness between old classes and new classes, we propose Weight Aligning (WA) that corrects the biased weights in the FC layer after normal training process. Unlike previous work, WA does not require any extra parameters or a validation set in advance, as it utilizes the information provided by the biased weights themselves. The proposed method is evaluated on ImageNet-1000, ImageNet-100, and CIFAR-100 under various settings. Experimental results show that the proposed method can effectively alleviate catastrophic forgetting and significantly outperform state-of-the-art methods.

Machine Learning has been steadily gaining traction for its use in Anomaly-based Network Intrusion Detection Systems (A-NIDS). Research into this domain is frequently performed using the KDD~CUP~99 dataset as a benchmark. Several studies question its usability while constructing a contemporary NIDS, due to the skewed response distribution, non-stationarity, and failure to incorporate modern attacks. In this paper, we compare the performance for KDD-99 alternatives when trained using classification models commonly found in literature: Neural Network, Support Vector Machine, Decision Tree, Random Forest, Naive Bayes and K-Means. Applying the SMOTE oversampling technique and random undersampling, we create a balanced version of NSL-KDD and prove that skewed target classes in KDD-99 and NSL-KDD hamper the efficacy of classifiers on minority classes (U2R and R2L), leading to possible security risks. We explore UNSW-NB15, a modern substitute to KDD-99 with greater uniformity of pattern distribution. We benchmark this dataset before and after SMOTE oversampling to observe the effect on minority performance. Our results indicate that classifiers trained on UNSW-NB15 match or better the Weighted F1-Score of those trained on NSL-KDD and KDD-99 in the binary case, thus advocating UNSW-NB15 as a modern substitute to these datasets.

The ability of deep learning models to learn continuously is essential for adapting to new data categories and evolving data distributions. In recent years, approaches leveraging frozen feature extractors after an initial learning phase have been extensively studied. Many of these methods estimate per-class covariance matrices and prototypes based on backbone-derived feature representations. Within this paradigm, we introduce FeNeC (Feature Neighborhood Classifier) and FeNeC-Log, its variant based on the log-likelihood function. Our approach generalizes the existing concept by incorporating data clustering to capture greater intra-class variability. Utilizing the Mahalanobis distance, our models classify samples either through a nearest neighbor approach or trainable logit values assigned to consecutive classes. Our proposition may be reduced to the existing approaches in a special case while extending them with the ability of more flexible adaptation to data. We demonstrate that two FeNeC variants achieve competitive performance in scenarios where task identities are unknown and establish state-of-the-art results on several benchmarks.

Convolutional neural networks have become a main tool for solving many machine vision and machine learning problems. A major element of these networks is the convolution operator which essentially computes the inner product between a weight vector and the vectorized image patches extracted by sliding a window in the image planes of the previous layer. In this paper, we propose two classes of surrogate functions for the inner product operation inherent in the convolution operator and so attain two generalizations of the convolution operator. The first one is the class of positive definite kernel functions where their application is justified by the kernel trick. The second one is the class of similarity measures defined based on a distance function. We justify this by tracing back to the basic idea behind the neocognitron which is the ancestor of CNNs. Both methods are then further generalized by allowing a monotonically increasing function to be applied subsequently. Like any trainable parameter in a neural network, the template pattern and the parameters of the kernel/distance function are trained with the back-propagation algorithm. As an aside, we use the proposed framework to justify the use of sine activation function in CNNs. Our experiments on the MNIST dataset show that the performance of ordinary CNNs can be achieved by generalized CNNs based on weighted L1/L2 distances, proving the applicability of the proposed generalization of the convolutional neural networks.

A recent trend in explainable AI research has focused on surrogate modeling, where neural networks are approximated as simpler ML algorithms such as kernel machines. A second trend has been to utilize kernel functions in various explain-by-example or data attribution tasks. In this work, we combine these two trends to analyze approximate empirical neural tangent kernels (eNTK) for data attribution. Approximation is critical for eNTK analysis due to the high computational cost to compute the eNTK. We define new approximate eNTK and perform novel analysis on how well the resulting kernel machine surrogate models correlate with the underlying neural network. We introduce two new random projection variants of approximate eNTK which allow users to tune the time and memory complexity of their calculation. We conclude that kernel machines using approximate neural tangent kernel as the kernel function are effective surrogate models, with the introduced trace NTK the most consistent performer. Open source software allowing users to efficiently calculate kernel functions in the PyTorch framework is available (https://github.com/pnnl/projection\_ntk).

We study the ability of foundation models to learn representations for classification that are transferable to new, unseen classes. Recent results in the literature show that representations learned by a single classifier over many classes are competitive on few-shot learning problems with representations learned by special-purpose algorithms designed for such problems. In this paper we provide an explanation for this behavior based on the recently observed phenomenon that the features learned by overparameterized classification networks show an interesting clustering property, called neural collapse. We demonstrate both theoretically and empirically that neural collapse generalizes to new samples from the training classes, and -- more importantly -- to new classes as well, allowing foundation models to provide feature maps that work well in transfer learning and, specifically, in the few-shot setting.

Named Entity Recognition (NER) plays a pivotal role in medical Natural Language Processing (NLP). Yet, there has not been an open-source medical NER dataset specifically for the Korean language. To address this, we utilized ChatGPT to assist in constructing the KBMC (Korean Bio-Medical Corpus), which we are now presenting to the public. With the KBMC dataset, we noticed an impressive 20% increase in medical NER performance compared to models trained on general Korean NER datasets. This research underscores the significant benefits and importance of using specialized tools and datasets, like ChatGPT, to enhance language processing in specialized fields such as healthcare.

Kernel methods are widely used in machine learning, especially for classification problems. However, the theoretical analysis of kernel classification is still limited. This paper investigates the statistical performances of kernel classifiers. With some mild assumptions on the conditional probability eta(x)=P(Y=1mid X=x), we derive an upper bound on the classification excess risk of a kernel classifier using recent advances in the theory of kernel regression. We also obtain a minimax lower bound for Sobolev spaces, which shows the optimality of the proposed classifier. Our theoretical results can be extended to the generalization error of overparameterized neural network classifiers. To make our theoretical results more applicable in realistic settings, we also propose a simple method to estimate the interpolation smoothness of 2eta(x)-1 and apply the method to real datasets.

The ability of an architecture to realize permutations is quite fundamental. For example, Large Language Models need to be able to correctly copy (and perhaps rearrange) parts of the input prompt into the output. Classical universal approximation theorems guarantee the existence of parameter configurations that solve this task but offer no insights into whether gradient-based algorithms can find them. In this paper, we address this gap by focusing on two-layer fully connected feed-forward neural networks and the task of learning permutations on nonzero binary inputs. We show that in the infinite width Neural Tangent Kernel (NTK) regime, an ensemble of such networks independently trained with gradient descent on only the k standard basis vectors out of 2^k - 1 possible inputs successfully learns any fixed permutation of length k with arbitrarily high probability. By analyzing the exact training dynamics, we prove that the network's output converges to a Gaussian process whose mean captures the ground truth permutation via sign-based features. We then demonstrate how averaging these runs (an "ensemble" method) and applying a simple rounding step yields an arbitrarily accurate prediction on any possible input unseen during training. Notably, the number of models needed to achieve exact learning with high probability (which we refer to as ensemble complexity) exhibits a linearithmic dependence on the input size k for a single test input and a quadratic dependence when considering all test inputs simultaneously.

Social networks have a vast range of applications with graphs. The available benchmark datasets are citation, co-occurrence, e-commerce networks, etc, with classes ranging from 3 to 15. However, there is no benchmark classification social network dataset for graph machine learning. This paper fills the gap and presents the Binary Classification Social Network Dataset (BiSND), designed for graph machine learning applications to predict binary classes. We present the BiSND in tabular and graph formats to verify its robustness across classical and advanced machine learning. We employ a diverse set of classifiers, including four traditional machine learning algorithms (Decision Trees, K-Nearest Neighbour, Random Forest, XGBoost), one Deep Neural Network (multi-layer perceptrons), one Graph Neural Network (Graph Convolutional Network), and three state-of-the-art Graph Contrastive Learning methods (BGRL, GRACE, DAENS). Our findings reveal that BiSND is suitable for classification tasks, with F1-scores ranging from 67.66 to 70.15, indicating promising avenues for future enhancements.

Deep learning models have become increasingly useful in many different industries. On the domain of image classification, convolutional neural networks proved the ability to learn robust features for the closed set problem, as shown in many different datasets, such as MNIST FASHIONMNIST, CIFAR10, CIFAR100, and IMAGENET. These approaches use deep neural networks with dense layers with softmax activation functions in order to learn features that can separate classes in a latent space. However, this traditional approach is not useful for identifying classes unseen on the training set, known as the open set problem. A similar problem occurs in scenarios involving learning on small data. To tackle both problems, few-shot learning has been proposed. In particular, metric learning learns features that obey constraints of a metric distance in the latent space in order to perform classification. However, while this approach proves to be useful for the open set problem, current implementation requires pair-wise training, where both positive and negative examples of similar images are presented during the training phase, which limits the applicability of these approaches in large data or large class scenarios given the combinatorial nature of the possible inputs.In this paper, we present a constraint-based approach applied to the representations in the latent space under the normalized softmax loss, proposed by[18]. We experimentally validate the proposed approach for the classification of unseen classes on different datasets using both metric learning and the normalized softmax loss, on disjoint and joint scenarios. Our results show that not only our proposed strategy can be efficiently trained on larger set of classes, as it does not require pairwise learning, but also present better classification results than the metric learning strategies surpassing its accuracy by a significant margin.

Nowadays, Natural Language Processing (NLP) is an important tool for most people's daily life routines, ranging from understanding speech, translation, named entity recognition (NER), and text categorization, to generative text models such as ChatGPT. Due to the existence of big data and consequently large corpora for widely used languages like English, Spanish, Turkish, Persian, and many more, these applications have been developed accurately. However, the Kurdish language still requires more corpora and large datasets to be included in NLP applications. This is because Kurdish has a rich linguistic structure, varied dialects, and a limited dataset, which poses unique challenges for Kurdish NLP (KNLP) application development. While several studies have been conducted in KNLP for various applications, Kurdish NER (KNER) remains a challenge for many KNLP tasks, including text analysis and classification. In this work, we address this limitation by proposing a methodology for fine-tuning the pre-trained RoBERTa model for KNER. To this end, we first create a Kurdish corpus, followed by designing a modified model architecture and implementing the training procedures. To evaluate the trained model, a set of experiments is conducted to demonstrate the performance of the KNER model using different tokenization methods and trained models. The experimental results show that fine-tuned RoBERTa with the SentencePiece tokenization method substantially improves KNER performance, achieving a 12.8% improvement in F1-score compared to traditional models, and consequently establishes a new benchmark for KNLP.

In this research, we aim to compare the performance of different classical machine learning models and neural networks in identifying the frequency of occurrence of each digit in a given number. It has various applications in machine learning and computer vision, e.g. for obtaining the frequency of a target object in a visual scene. We considered this problem as a hybrid of classification and regression tasks. We carefully create our own datasets to observe systematic differences between different methods. We evaluate each of the methods using different metrics across multiple datasets.The metrics of performance used were the root mean squared error and mean absolute error for regression evaluation, and accuracy for classification performance evaluation. We observe that decision trees and random forests overfit to the dataset, due to their inherent bias, and are not able to generalize well. We also observe that the neural networks significantly outperform the classical machine learning models in terms of both the regression and classification metrics for both the 6-digit and 10-digit number datasets. Dataset and code are available on github.

Non-parametric, k-nearest-neighbor algorithms have recently made inroads to assist generative models such as language models and machine translation decoders. We explore whether such non-parametric models can improve machine translation models at the fine-tuning stage by incorporating statistics from the kNN predictions to inform the gradient updates for a baseline translation model. There are multiple methods which could be used to incorporate kNN statistics and we investigate gradient scaling by a gating mechanism, the kNN's ground truth probability, and reinforcement learning. For four standard in-domain machine translation datasets, compared with classic fine-tuning, we report consistent improvements of all of the three methods by as much as 1.45 BLEU and 1.28 BLEU for German-English and English-German translations respectively. Through qualitative analysis, we found particular improvements when it comes to translating grammatical relations or function words, which results in increased fluency of our model.

Neural net classifiers trained on data with annotated class labels can also capture apparent visual similarity among categories without being directed to do so. We study whether this observation can be extended beyond the conventional domain of supervised learning: Can we learn a good feature representation that captures apparent similarity among instances, instead of classes, by merely asking the feature to be discriminative of individual instances? We formulate this intuition as a non-parametric classification problem at the instance-level, and use noise-contrastive estimation to tackle the computational challenges imposed by the large number of instance classes. Our experimental results demonstrate that, under unsupervised learning settings, our method surpasses the state-of-the-art on ImageNet classification by a large margin. Our method is also remarkable for consistently improving test performance with more training data and better network architectures. By fine-tuning the learned feature, we further obtain competitive results for semi-supervised learning and object detection tasks. Our non-parametric model is highly compact: With 128 features per image, our method requires only 600MB storage for a million images, enabling fast nearest neighbour retrieval at the run time.

State-of-the-art neural network training methods depend on the gradient of the network function. Therefore, they cannot be applied to networks whose activation functions do not have useful derivatives, such as binary and discrete-time spiking neural networks. To overcome this problem, the activation function's derivative is commonly substituted with a surrogate derivative, giving rise to surrogate gradient learning (SGL). This method works well in practice but lacks theoretical foundation. The neural tangent kernel (NTK) has proven successful in the analysis of gradient descent. Here, we provide a generalization of the NTK, which we call the surrogate gradient NTK, that enables the analysis of SGL. First, we study a naive extension of the NTK to activation functions with jumps, demonstrating that gradient descent for such activation functions is also ill-posed in the infinite-width limit. To address this problem, we generalize the NTK to gradient descent with surrogate derivatives, i.e., SGL. We carefully define this generalization and expand the existing key theorems on the NTK with mathematical rigor. Further, we illustrate our findings with numerical experiments. Finally, we numerically compare SGL in networks with sign activation function and finite width to kernel regression with the surrogate gradient NTK; the results confirm that the surrogate gradient NTK provides a good characterization of SGL.

We introduce the concept of scalable neural network kernels (SNNKs), the replacements of regular feedforward layers (FFLs), capable of approximating the latter, but with favorable computational properties. SNNKs effectively disentangle the inputs from the parameters of the neural network in the FFL, only to connect them in the final computation via the dot-product kernel. They are also strictly more expressive, as allowing to model complicated relationships beyond the functions of the dot-products of parameter-input vectors. We also introduce the neural network bundling process that applies SNNKs to compactify deep neural network architectures, resulting in additional compression gains. In its extreme version, it leads to the fully bundled network whose optimal parameters can be expressed via explicit formulae for several loss functions (e.g. mean squared error), opening a possibility to bypass backpropagation. As a by-product of our analysis, we introduce the mechanism of the universal random features (or URFs), applied to instantiate several SNNK variants, and interesting on its own in the context of scalable kernel methods. We provide rigorous theoretical analysis of all these concepts as well as an extensive empirical evaluation, ranging from point-wise kernel estimation to Transformers' fine-tuning with novel adapter layers inspired by SNNKs. Our mechanism provides up to 5x reduction in the number of trainable parameters, while maintaining competitive accuracy.

Automated classification of metadata of research data by their discipline(s) of research can be used in scientometric research, by repository service providers, and in the context of research data aggregation services. Openly available metadata of the DataCite index for research data were used to compile a large training and evaluation set comprised of 609,524 records, which is published alongside this paper. These data allow to reproducibly assess classification approaches, such as tree-based models and neural networks. According to our experiments with 20 base classes (multi-label classification), multi-layer perceptron models perform best with a f1-macro score of 0.760 closely followed by Long Short-Term Memory models (f1-macro score of 0.755). A possible application of the trained classification models is the quantitative analysis of trends towards interdisciplinarity of digital scholarly output or the characterization of growth patterns of research data, stratified by discipline of research. Both applications perform at scale with the proposed models which are available for re-use.

Inspired by the Kolmogorov-Arnold representation theorem, we propose Kolmogorov-Arnold Networks (KANs) as promising alternatives to Multi-Layer Perceptrons (MLPs). While MLPs have fixed activation functions on nodes ("neurons"), KANs have learnable activation functions on edges ("weights"). KANs have no linear weights at all -- every weight parameter is replaced by a univariate function parametrized as a spline. We show that this seemingly simple change makes KANs outperform MLPs in terms of accuracy and interpretability. For accuracy, much smaller KANs can achieve comparable or better accuracy than much larger MLPs in data fitting and PDE solving. Theoretically and empirically, KANs possess faster neural scaling laws than MLPs. For interpretability, KANs can be intuitively visualized and can easily interact with human users. Through two examples in mathematics and physics, KANs are shown to be useful collaborators helping scientists (re)discover mathematical and physical laws. In summary, KANs are promising alternatives for MLPs, opening opportunities for further improving today's deep learning models which rely heavily on MLPs.

Knowledge distillation (KD) exploits a large well-trained model (i.e., teacher) to train a small student model on the same dataset for the same task. Treating teacher features as knowledge, prevailing methods of knowledge distillation train student by aligning its features with the teacher's, e.g., by minimizing the KL-divergence between their logits or L2 distance between their intermediate features. While it is natural to believe that better alignment of student features to the teacher better distills teacher knowledge, simply forcing this alignment does not directly contribute to the student's performance, e.g., classification accuracy. In this work, we propose to align student features with class-mean of teacher features, where class-mean naturally serves as a strong classifier. To this end, we explore baseline techniques such as adopting the cosine distance based loss to encourage the similarity between student features and their corresponding class-means of the teacher. Moreover, we train the student to produce large-norm features, inspired by other lines of work (e.g., model pruning and domain adaptation), which find the large-norm features to be more significant. Finally, we propose a rather simple loss term (dubbed ND loss) to simultaneously (1) encourage student to produce large-norm features, and (2) align the direction of student features and teacher class-means. Experiments on standard benchmarks demonstrate that our explored techniques help existing KD methods achieve better performance, i.e., higher classification accuracy on ImageNet and CIFAR100 datasets, and higher detection precision on COCO dataset. Importantly, our proposed ND loss helps the most, leading to the state-of-the-art performance on these benchmarks. The source code is available at https://github.com/WangYZ1608/Knowledge-Distillation-via-ND.

Kolmogorov-Arnold Networks (KANs) have gained significant attention as an alternative to traditional multilayer perceptrons, with proponents claiming superior interpretability and performance through learnable univariate activation functions. However, recent systematic evaluations reveal substantial discrepancies between theoretical claims and empirical evidence. This critical assessment examines KANs' actual performance across diverse domains using fair comparison methodologies that control for parameters and computational costs. Our analysis demonstrates that KANs outperform MLPs only in symbolic regression tasks, while consistently underperforming in machine learning, computer vision, and natural language processing benchmarks. The claimed advantages largely stem from B-spline activation functions rather than architectural innovations, and computational overhead (1.36-100x slower) severely limits practical deployment. Furthermore, theoretical claims about breaking the "curse of dimensionality" lack rigorous mathematical foundation. We systematically identify the conditions under which KANs provide value versus traditional approaches, establish evaluation standards for future research, and propose a priority-based roadmap for addressing fundamental limitations. This work provides researchers and practitioners with evidence-based guidance for the rational adoption of KANs while highlighting critical research gaps that must be addressed for broader applicability.

These handouts are designed for people who is just starting involved with the topic artificial neural networks. We show how it works a single artificial neuron (McCulloch & Pitt model), mathematically and graphically. We do explain the delta rule, a learning algorithm to find the neuron weights. We also present some examples in MATLAB/Octave. There are examples for classification task for lineal and non-lineal problems. At the end, we present an artificial neural network, a feed-forward neural network along its learning algorithm backpropagation. ----- Estos apuntes est\'an dise\~nados para personas que por primera vez se introducen en el tema de las redes neuronales artificiales. Se muestra el funcionamiento b\'asico de una neurona, matem\'aticamente y gr\'aficamente. Se explica la Regla Delta, algoritmo deaprendizaje para encontrar los pesos de una neurona. Tambi\'en se muestran ejemplos en MATLAB/Octave. Hay ejemplos para problemas de clasificaci\'on, para problemas lineales y no-lineales. En la parte final se muestra la arquitectura de red neuronal artificial conocida como backpropagation.

Clinically deployed deep learning-based segmentation models are known to fail on data outside of their training distributions. While clinicians review the segmentations, these models tend to perform well in most instances, which could exacerbate automation bias. Therefore, detecting out-of-distribution images at inference is critical to warn the clinicians that the model likely failed. This work applied the Mahalanobis distance (MD) post hoc to the bottleneck features of four Swin UNETR and nnU-net models that segmented the liver on T1-weighted magnetic resonance imaging and computed tomography. By reducing the dimensions of the bottleneck features with either principal component analysis or uniform manifold approximation and projection, images the models failed on were detected with high performance and minimal computational load. In addition, this work explored a non-parametric alternative to the MD, a k-th nearest neighbors distance (KNN). KNN drastically improved scalability and performance over MD when both were applied to raw and average-pooled bottleneck features.

Deep representations have shown promising performance when transferred to downstream tasks in a black-box manner. Yet, their inherent lack of interpretability remains a significant challenge, as these features are often opaque to human understanding. In this paper, we propose Non-negative Contrastive Learning (NCL), a renaissance of Non-negative Matrix Factorization (NMF) aimed at deriving interpretable features. The power of NCL lies in its enforcement of non-negativity constraints on features, reminiscent of NMF's capability to extract features that align closely with sample clusters. NCL not only aligns mathematically well with an NMF objective but also preserves NMF's interpretability attributes, resulting in a more sparse and disentangled representation compared to standard contrastive learning (CL). Theoretically, we establish guarantees on the identifiability and downstream generalization of NCL. Empirically, we show that these advantages enable NCL to outperform CL significantly on feature disentanglement, feature selection, as well as downstream classification tasks. At last, we show that NCL can be easily extended to other learning scenarios and benefit supervised learning as well. Code is available at https://github.com/PKU-ML/non_neg.

A natural strategy for continual learning is to weigh a Bayesian ensemble of fixed functions. This suggests that if a (single) neural network could be interpreted as an ensemble, one could design effective algorithms that learn without forgetting. To realize this possibility, we observe that a neural network classifier with N parameters can be interpreted as a weighted ensemble of N classifiers, and that in the lazy regime limit these classifiers are fixed throughout learning. We call these classifiers the neural tangent experts and show they output valid probability distributions over the labels. We then derive the likelihood and posterior probability of each expert given past data. Surprisingly, the posterior updates for these experts are equivalent to a scaled and projected form of stochastic gradient descent (SGD) over the network weights. Away from the lazy regime, networks can be seen as ensembles of adaptive experts which improve over time. These results offer a new interpretation of neural networks as Bayesian ensembles of experts, providing a principled framework for understanding and mitigating catastrophic forgetting in continual learning settings.

We consider the problem of zero-shot recognition: learning a visual classifier for a category with zero training examples, just using the word embedding of the category and its relationship to other categories, which visual data are provided. The key to dealing with the unfamiliar or novel category is to transfer knowledge obtained from familiar classes to describe the unfamiliar class. In this paper, we build upon the recently introduced Graph Convolutional Network (GCN) and propose an approach that uses both semantic embeddings and the categorical relationships to predict the classifiers. Given a learned knowledge graph (KG), our approach takes as input semantic embeddings for each node (representing visual category). After a series of graph convolutions, we predict the visual classifier for each category. During training, the visual classifiers for a few categories are given to learn the GCN parameters. At test time, these filters are used to predict the visual classifiers of unseen categories. We show that our approach is robust to noise in the KG. More importantly, our approach provides significant improvement in performance compared to the current state-of-the-art results (from 2 ~ 3% on some metrics to whopping 20% on a few).

This research investigates how Machine Learning (ML) algorithms can assist in workload allocation strategies by detecting tasks with node affinity operators (referred to as constraint operators), which constrain their execution to a limited number of nodes. Using real-world Google Cluster Data (GCD) workload traces and the AGOCS framework, the study extracts node attributes and task constraints, then analyses them to identify suitable node-task pairings. It focuses on tasks that can be executed on either a single node or fewer than a thousand out of 12.5k nodes in the analysed GCD cluster. Task constraint operators are compacted, pre-processed with one-hot encoding, and used as features in a training dataset. Various ML classifiers, including Artificial Neural Networks, K-Nearest Neighbours, Decision Trees, Naive Bayes, Ridge Regression, Adaptive Boosting, and Bagging, are fine-tuned and assessed for accuracy and F1-scores. The final ensemble voting classifier model achieved 98% accuracy and a 1.5-1.8% misclassification rate for tasks with a single suitable node.

Kolmogorov-Arnold Networks (KANs) have inspired numerous works exploring their applications across a wide range of scientific problems, with the potential to replace Multilayer Perceptrons (MLPs). While many KANs are designed using basis and polynomial functions, such as B-splines, ReLU-KAN utilizes a combination of ReLU functions to mimic the structure of B-splines and take advantage of ReLU's speed. However, ReLU-KAN is not built for multiple inputs, and its limitations stem from ReLU's handling of negative values, which can restrict feature extraction. To address these issues, we introduce Activation Function-Based Kolmogorov-Arnold Networks (AF-KAN), expanding ReLU-KAN with various activations and their function combinations. This novel KAN also incorporates parameter reduction methods, primarily attention mechanisms and data normalization, to enhance performance on image classification datasets. We explore different activation functions, function combinations, grid sizes, and spline orders to validate the effectiveness of AF-KAN and determine its optimal configuration. In the experiments, AF-KAN significantly outperforms MLP, ReLU-KAN, and other KANs with the same parameter count. It also remains competitive even when using fewer than 6 to 10 times the parameters while maintaining the same network structure. However, AF-KAN requires a longer training time and consumes more FLOPs. The repository for this work is available at https://github.com/hoangthangta/All-KAN.

The emergence of Kolmogorov-Arnold Networks (KANs) has sparked significant interest and debate within the scientific community. This paper explores the application of KANs in the domain of computer vision (CV). We examine the convolutional version of KANs, considering various nonlinearity options beyond splines, such as Wavelet transforms and a range of polynomials. We propose a parameter-efficient design for Kolmogorov-Arnold convolutional layers and a parameter-efficient finetuning algorithm for pre-trained KAN models, as well as KAN convolutional versions of self-attention and focal modulation layers. We provide empirical evaluations conducted on MNIST, CIFAR10, CIFAR100, Tiny ImageNet, ImageNet1k, and HAM10000 datasets for image classification tasks. Additionally, we explore segmentation tasks, proposing U-Net-like architectures with KAN convolutions, and achieving state-of-the-art results on BUSI, GlaS, and CVC datasets. We summarized all of our findings in a preliminary design guide of KAN convolutional models for computer vision tasks. Furthermore, we investigate regularization techniques for KANs. All experimental code and implementations of convolutional layers and models, pre-trained on ImageNet1k weights are available on GitHub via this https://github.com/IvanDrokin/torch-conv-kan

In this manuscript, we show that any neural network with any activation function can be represented as a decision tree. The representation is equivalence and not an approximation, thus keeping the accuracy of the neural network exactly as is. We believe that this work provides better understanding of neural networks and paves the way to tackle their black-box nature. We share equivalent trees of some neural networks and show that besides providing interpretability, tree representation can also achieve some computational advantages for small networks. The analysis holds both for fully connected and convolutional networks, which may or may not also include skip connections and/or normalizations.

Over the last decade, Convolutional Neural Networks (CNN) saw a tremendous surge in performance. However, understanding what a network has learned still proves to be a challenging task. To remedy this unsatisfactory situation, a number of groups have recently proposed different methods to visualize the learned models. In this work we suggest a general taxonomy to classify and compare these methods, subdividing the literature into three main categories and providing researchers with a terminology to base their works on. Furthermore, we introduce the FeatureVis library for MatConvNet: an extendable, easy to use open source library for visualizing CNNs. It contains implementations from each of the three main classes of visualization methods and serves as a useful tool for an enhanced understanding of the features learned by intermediate layers, as well as for the analysis of why a network might fail for certain examples.

In Novel Class Discovery (NCD), the goal is to find new classes in an unlabeled set given a labeled set of known but different classes. While NCD has recently gained attention from the community, no framework has yet been proposed for heterogeneous tabular data, despite being a very common representation of data. In this paper, we propose TabularNCD, a new method for discovering novel classes in tabular data. We show a way to extract knowledge from already known classes to guide the discovery process of novel classes in the context of tabular data which contains heterogeneous variables. A part of this process is done by a new method for defining pseudo labels, and we follow recent findings in Multi-Task Learning to optimize a joint objective function. Our method demonstrates that NCD is not only applicable to images but also to heterogeneous tabular data.

In Novel Class Discovery (NCD), the goal is to find new classes in an unlabeled set given a labeled set of known but different classes. While NCD has recently gained attention from the community, no framework has yet been proposed for heterogeneous tabular data, despite being a very common representation of data. In this paper, we propose TabularNCD, a new method for discovering novel classes in tabular data. We show a way to extract knowledge from already known classes to guide the discovery process of novel classes in the context of tabular data which contains heterogeneous variables. A part of this process is done by a new method for defining pseudo labels, and we follow recent findings in Multi-Task Learning to optimize a joint objective function. Our method demonstrates that NCD is not only applicable to images but also to heterogeneous tabular data. Extensive experiments are conducted to evaluate our method and demonstrate its effectiveness against 3 competitors on 7 diverse public classification datasets.

Healthcare is an important aspect of human life. Use of technologies in healthcare has increased manifolds after the pandemic. Internet of Things based systems and devices proposed in literature can help elders, children and adults facing/experiencing health problems. This paper exhaustively reviews thirty-nine wearable based datasets which can be used for evaluating the system to recognize Activities of Daily Living and Falls. A comparative analysis on the SisFall dataset using five machine learning methods i.e., Logistic Regression, Linear Discriminant Analysis, K-Nearest Neighbor, Decision Tree and Naive Bayes is performed in python. The dataset is modified in two ways, in first all the attributes present in dataset are used as it is and labelled in binary form. In second, magnitude of three axes(x,y,z) for three sensors value are computed and then used in experiment with label attribute. The experiments are performed on one subject, ten subjects and all the subjects and compared in terms of accuracy, precision and recall. The results obtained from this study proves that KNN outperforms other machine learning methods in terms of accuracy, precision and recall. It is also concluded that personalization of data improves accuracy.

We study the new task of class-incremental Novel Class Discovery (class-iNCD), which refers to the problem of discovering novel categories in an unlabelled data set by leveraging a pre-trained model that has been trained on a labelled data set containing disjoint yet related categories. Apart from discovering novel classes, we also aim at preserving the ability of the model to recognize previously seen base categories. Inspired by rehearsal-based incremental learning methods, in this paper we propose a novel approach for class-iNCD which prevents forgetting of past information about the base classes by jointly exploiting base class feature prototypes and feature-level knowledge distillation. We also propose a self-training clustering strategy that simultaneously clusters novel categories and trains a joint classifier for both the base and novel classes. This makes our method able to operate in a class-incremental setting. Our experiments, conducted on three common benchmarks, demonstrate that our method significantly outperforms state-of-the-art approaches. Code is available at https://github.com/OatmealLiu/class-iNCD

Knowledge graph embedding (KGE) is an increasingly popular technique that aims to represent entities and relations of knowledge graphs into low-dimensional semantic spaces for a wide spectrum of applications such as link prediction, knowledge reasoning and knowledge completion. In this paper, we provide a systematic review of existing KGE techniques based on representation spaces. Particularly, we build a fine-grained classification to categorise the models based on three mathematical perspectives of the representation spaces: (1) Algebraic perspective, (2) Geometric perspective, and (3) Analytical perspective. We introduce the rigorous definitions of fundamental mathematical spaces before diving into KGE models and their mathematical properties. We further discuss different KGE methods over the three categories, as well as summarise how spatial advantages work over different embedding needs. By collating the experimental results from downstream tasks, we also explore the advantages of mathematical space in different scenarios and the reasons behind them. We further state some promising research directions from a representation space perspective, with which we hope to inspire researchers to design their KGE models as well as their related applications with more consideration of their mathematical space properties.

Deep neural networks have proved to be a very effective way to perform classification tasks. They excel when the input data is high dimensional, the relationship between the input and the output is complicated, and the number of labeled training examples is large. But it is hard to explain why a learned network makes a particular classification decision on a particular test case. This is due to their reliance on distributed hierarchical representations. If we could take the knowledge acquired by the neural net and express the same knowledge in a model that relies on hierarchical decisions instead, explaining a particular decision would be much easier. We describe a way of using a trained neural net to create a type of soft decision tree that generalizes better than one learned directly from the training data.

We define disentanglement as how far class-different data points from each other are, relative to the distances among class-similar data points. When maximizing disentanglement during representation learning, we obtain a transformed feature representation where the class memberships of the data points are preserved. If the class memberships of the data points are preserved, we would have a feature representation space in which a nearest neighbour classifier or a clustering algorithm would perform well. We take advantage of this method to learn better natural language representation, and employ it on text classification and text clustering tasks. Through disentanglement, we obtain text representations with better-defined clusters and improve text classification performance. Our approach had a test classification accuracy of as high as 90.11% and test clustering accuracy of 88% on the AG News dataset, outperforming our baseline models -- without any other training tricks or regularization.

Neural networks (NN) achieve remarkable results in various tasks, but lack key characteristics: interpretability, support for categorical features, and lightweight implementations suitable for edge devices. While ongoing efforts aim to address these challenges, Gradient Boosting Trees (GBT) inherently meet these requirements. As a result, GBTs have become the go-to method for supervised learning tasks in many real-world applications and competitions. However, their application in online learning scenarios, notably in reinforcement learning (RL), has been limited. In this work, we bridge this gap by introducing Gradient-Boosting RL (GBRL), a framework that extends the advantages of GBT to the RL domain. Using the GBRL framework, we implement various actor-critic algorithms and compare their performance with their NN counterparts. Inspired by shared backbones in NN we introduce a tree-sharing approach for policy and value functions with distinct learning rates, enhancing learning efficiency over millions of interactions. GBRL achieves competitive performance across a diverse array of tasks, excelling in domains with structured or categorical features. Additionally, we present a high-performance, GPU-accelerated implementation that integrates seamlessly with widely-used RL libraries (available at https://github.com/NVlabs/gbrl). GBRL expands the toolkit for RL practitioners, demonstrating the viability and promise of GBT within the RL paradigm, particularly in domains characterized by structured or categorical features.

In recent years, deep neural networks have yielded immense success on speech recognition, computer vision and natural language processing. However, the exploration of deep neural networks on recommender systems has received relatively less scrutiny. In this work, we strive to develop techniques based on neural networks to tackle the key problem in recommendation -- collaborative filtering -- on the basis of implicit feedback. Although some recent work has employed deep learning for recommendation, they primarily used it to model auxiliary information, such as textual descriptions of items and acoustic features of musics. When it comes to model the key factor in collaborative filtering -- the interaction between user and item features, they still resorted to matrix factorization and applied an inner product on the latent features of users and items. By replacing the inner product with a neural architecture that can learn an arbitrary function from data, we present a general framework named NCF, short for Neural network-based Collaborative Filtering. NCF is generic and can express and generalize matrix factorization under its framework. To supercharge NCF modelling with non-linearities, we propose to leverage a multi-layer perceptron to learn the user-item interaction function. Extensive experiments on two real-world datasets show significant improvements of our proposed NCF framework over the state-of-the-art methods. Empirical evidence shows that using deeper layers of neural networks offers better recommendation performance.

Knowledge distillation (KD) is generally considered as a technique for performing model compression and learned-label smoothing. However, in this paper, we study and investigate the KD approach from a new perspective: we study its efficacy in training a deeper network without any residual connections. We find that in most of the cases, non-residual student networks perform equally or better than their residual versions trained on raw data without KD (baseline network). Surprisingly, in some cases, they surpass the accuracy of baseline networks even with the inferior teachers. After a certain depth of non-residual student network, the accuracy drop, coming from the removal of residual connections, is substantial, and training with KD boosts the accuracy of the student up to a great extent; however, it does not fully recover the accuracy drop. Furthermore, we observe that the conventional teacher-student view of KD is incomplete and does not adequately explain our findings. We propose a novel interpretation of KD with the Trainee-Mentor hypothesis, which provides a holistic view of KD. We also present two viewpoints, loss landscape, and feature reuse, to explain the interplay between residual connections and KD. We substantiate our claims through extensive experiments on residual networks.

Recent advancements in both representation learning and function learning have demonstrated substantial promise across diverse domains of artificial intelligence. However, the effective integration of these paradigms poses a significant challenge, particularly in cases where users must manually decide whether to apply a representation learning or function learning model based on dataset characteristics. To address this issue, we introduce MLP-KAN, a unified method designed to eliminate the need for manual model selection. By integrating Multi-Layer Perceptrons (MLPs) for representation learning and Kolmogorov-Arnold Networks (KANs) for function learning within a Mixture-of-Experts (MoE) architecture, MLP-KAN dynamically adapts to the specific characteristics of the task at hand, ensuring optimal performance. Embedded within a transformer-based framework, our work achieves remarkable results on four widely-used datasets across diverse domains. Extensive experimental evaluation demonstrates its superior versatility, delivering competitive performance across both deep representation and function learning tasks. These findings highlight the potential of MLP-KAN to simplify the model selection process, offering a comprehensive, adaptable solution across various domains. Our code and weights are available at https://github.com/DLYuanGod/MLP-KAN.

The MNIST dataset has become a standard benchmark for learning, classification and computer vision systems. Contributing to its widespread adoption are the understandable and intuitive nature of the task, its relatively small size and storage requirements and the accessibility and ease-of-use of the database itself. The MNIST database was derived from a larger dataset known as the NIST Special Database 19 which contains digits, uppercase and lowercase handwritten letters. This paper introduces a variant of the full NIST dataset, which we have called Extended MNIST (EMNIST), which follows the same conversion paradigm used to create the MNIST dataset. The result is a set of datasets that constitute a more challenging classification tasks involving letters and digits, and that shares the same image structure and parameters as the original MNIST task, allowing for direct compatibility with all existing classifiers and systems. Benchmark results are presented along with a validation of the conversion process through the comparison of the classification results on converted NIST digits and the MNIST digits.

Deep neural networks are widely used for classification. These deep models often suffer from a lack of interpretability -- they are particularly difficult to understand because of their non-linear nature. As a result, neural networks are often treated as "black box" models, and in the past, have been trained purely to optimize the accuracy of predictions. In this work, we create a novel network architecture for deep learning that naturally explains its own reasoning for each prediction. This architecture contains an autoencoder and a special prototype layer, where each unit of that layer stores a weight vector that resembles an encoded training input. The encoder of the autoencoder allows us to do comparisons within the latent space, while the decoder allows us to visualize the learned prototypes. The training objective has four terms: an accuracy term, a term that encourages every prototype to be similar to at least one encoded input, a term that encourages every encoded input to be close to at least one prototype, and a term that encourages faithful reconstruction by the autoencoder. The distances computed in the prototype layer are used as part of the classification process. Since the prototypes are learned during training, the learned network naturally comes with explanations for each prediction, and the explanations are loyal to what the network actually computes.

Kolmogorov-Arnold networks (KANs) are a remarkable innovation consisting of learnable activation functions with the potential to capture more complex relationships from data. Although KANs are useful in finding symbolic representations and continual learning of one-dimensional functions, their effectiveness in diverse machine learning (ML) tasks, such as vision, remains questionable. Presently, KANs are deployed by replacing multilayer perceptrons (MLPs) in deep network architectures, including advanced architectures such as vision Transformers (ViTs). In this paper, we are the first to design a general learnable Kolmogorov-Arnold Attention (KArAt) for vanilla ViTs that can operate on any choice of basis. However, the computing and memory costs of training them motivated us to propose a more modular version, and we designed particular learnable attention, called Fourier-KArAt. Fourier-KArAt and its variants either outperform their ViT counterparts or show comparable performance on CIFAR-10, CIFAR-100, and ImageNet-1K datasets. We dissect these architectures' performance and generalization capacity by analyzing their loss landscapes, weight distributions, optimizer path, attention visualization, and spectral behavior, and contrast them with vanilla ViTs. The goal of this paper is not to produce parameter- and compute-efficient attention, but to encourage the community to explore KANs in conjunction with more advanced architectures that require a careful understanding of learnable activations. Our open-source code and implementation details are available on: https://subhajitmaity.me/KArAt

The acquisition of labels for supervised learning can be expensive. To improve the sample efficiency of neural network regression, we study active learning methods that adaptively select batches of unlabeled data for labeling. We present a framework for constructing such methods out of (network-dependent) base kernels, kernel transformations, and selection methods. Our framework encompasses many existing Bayesian methods based on Gaussian process approximations of neural networks as well as non-Bayesian methods. Additionally, we propose to replace the commonly used last-layer features with sketched finite-width neural tangent kernels and to combine them with a novel clustering method. To evaluate different methods, we introduce an open-source benchmark consisting of 15 large tabular regression data sets. Our proposed method outperforms the state-of-the-art on our benchmark, scales to large data sets, and works out-of-the-box without adjusting the network architecture or training code. We provide open-source code that includes efficient implementations of all kernels, kernel transformations, and selection methods, and can be used for reproducing our results.

Previous knowledge distillation methods have shown their impressive performance on model compression tasks, however, it is hard to explain how the knowledge they transferred helps to improve the performance of the student network. In this work, we focus on proposing a knowledge distillation method that has both high interpretability and competitive performance. We first revisit the structure of mainstream CNN models and reveal that possessing the capacity of identifying class discriminative regions of input is critical for CNN to perform classification. Furthermore, we demonstrate that this capacity can be obtained and enhanced by transferring class activation maps. Based on our findings, we propose class attention transfer based knowledge distillation (CAT-KD). Different from previous KD methods, we explore and present several properties of the knowledge transferred by our method, which not only improve the interpretability of CAT-KD but also contribute to a better understanding of CNN. While having high interpretability, CAT-KD achieves state-of-the-art performance on multiple benchmarks. Code is available at: https://github.com/GzyAftermath/CAT-KD.

We present a straightforward statistical test to detect certain violations of the assumption that the data are Independent and Identically Distributed (IID). The specific form of violation considered is common across real-world applications: whether the examples are ordered in the dataset such that almost adjacent examples tend to have more similar feature values (e.g. due to distributional drift, or attractive interactions between datapoints). Based on a k-Nearest Neighbors estimate, our approach can be used to audit any multivariate numeric data as well as other data types (image, text, audio, etc.) that can be numerically represented, perhaps with model embeddings. Compared with existing methods to detect drift or auto-correlation, our approach is both applicable to more types of data and also able to detect a wider variety of IID violations in practice. Code: https://github.com/cleanlab/cleanlab

Random Neural Networks (RNNs) are a class of Neural Networks (NNs) that can also be seen as a specific type of queuing network. They have been successfully used in several domains during the last 25 years, as queuing networks to analyze the performance of resource sharing in many engineering areas, as learning tools and in combinatorial optimization, where they are seen as neural systems, and also as models of neurological aspects of living beings. In this article we focus on their learning capabilities, and more specifically, we present a practical guide for using the RNN to solve supervised learning problems. We give a general description of these models using almost indistinctly the terminology of Queuing Theory and the neural one. We present the standard learning procedures used by RNNs, adapted from similar well-established improvements in the standard NN field. We describe in particular a set of learning algorithms covering techniques based on the use of first order and, then, of second order derivatives. We also discuss some issues related to these objects and present new perspectives about their use in supervised learning problems. The tutorial describes their most relevant applications, and also provides a large bibliography.

Neural network models have a reputation for being black boxes. We propose to monitor the features at every layer of a model and measure how suitable they are for classification. We use linear classifiers, which we refer to as "probes", trained entirely independently of the model itself. This helps us better understand the roles and dynamics of the intermediate layers. We demonstrate how this can be used to develop a better intuition about models and to diagnose potential problems. We apply this technique to the popular models Inception v3 and Resnet-50. Among other things, we observe experimentally that the linear separability of features increase monotonically along the depth of the model.

Failure of machine learning models to generalize to new data is a core problem limiting the reliability of AI systems, partly due to the lack of simple and robust methods for comparing new data to the original training dataset. We propose a standardized approach for assessing data similarity in a model-agnostic manner by constructing a supervised autoencoder for generalizability estimation (SAGE). We compare points in a low-dimensional embedded latent space, defining empirical probability measures for k-Nearest Neighbors (kNN) distance, reconstruction of inputs and task-based performance. As proof of concept for classification tasks, we use MNIST and CIFAR-10 to demonstrate how an ensemble output probability score can separate deformed images from a mixture of typical test examples, and how this SAGE score is robust to transformations of increasing severity. As further proof of concept, we extend this approach to a regression task using non-imaging data (UCI Abalone). In all cases, we show that out-of-the-box model performance increases after SAGE score filtering, even when applied to data from the model's own training and test datasets. Our out-of-distribution scoring method can be introduced during several steps of model construction and assessment, leading to future improvements in responsible deep learning implementation.

Despite its outstanding performance in various graph tasks, vanilla Message Passing Neural Network (MPNN) usually fails in link prediction tasks, as it only uses representations of two individual target nodes and ignores the pairwise relation between them. To capture the pairwise relations, some models add manual features to the input graph and use the output of MPNN to produce pairwise representations. In contrast, others directly use manual features as pairwise representations. Though this simplification avoids applying a GNN to each link individually and thus improves scalability, these models still have much room for performance improvement due to the hand-crafted and unlearnable pairwise features. To upgrade performance while maintaining scalability, we propose Neural Common Neighbor (NCN), which uses learnable pairwise representations. To further boost NCN, we study the unobserved link problem. The incompleteness of the graph is ubiquitous and leads to distribution shifts between the training and test set, loss of common neighbor information, and performance degradation of models. Therefore, we propose two intervention methods: common neighbor completion and target link removal. Combining the two methods with NCN, we propose Neural Common Neighbor with Completion (NCNC). NCN and NCNC outperform recent strong baselines by large margins. NCNC achieves state-of-the-art performance in link prediction tasks. Our code is available at https://github.com/GraphPKU/NeuralCommonNeighbor.

We tackle the problem of novel class discovery, which aims to learn novel classes without supervision based on labeled data from known classes. A key challenge lies in transferring the knowledge in the known-class data to the learning of novel classes. Previous methods mainly focus on building a shared representation space for knowledge transfer and often ignore modeling class relations. To address this, we introduce a class relation representation for the novel classes based on the predicted class distribution of a model trained on known classes. Empirically, we find that such class relation becomes less informative during typical discovery training. To prevent such information loss, we propose a novel knowledge distillation framework, which utilizes our class-relation representation to regularize the learning of novel classes. In addition, to enable a flexible knowledge distillation scheme for each data point in novel classes, we develop a learnable weighting function for the regularization, which adaptively promotes knowledge transfer based on the semantic similarity between the novel and known classes. To validate the effectiveness and generalization of our method, we conduct extensive experiments on multiple benchmarks, including CIFAR100, Stanford Cars, CUB, and FGVC-Aircraft datasets. Our results demonstrate that the proposed method outperforms the previous state-of-the-art methods by a significant margin on almost all benchmarks. Code is available at https://github.com/kleinzcy/Cr-KD-NCD{here}.

The successes of modern deep machine learning methods are founded on their ability to transform inputs across multiple layers to build good high-level representations. It is therefore critical to understand this process of representation learning. However, standard theoretical approaches (formally NNGPs) involving infinite width limits eliminate representation learning. We therefore develop a new infinite width limit, the Bayesian representation learning limit, that exhibits representation learning mirroring that in finite-width models, yet at the same time, retains some of the simplicity of standard infinite-width limits. In particular, we show that Deep Gaussian processes (DGPs) in the Bayesian representation learning limit have exactly multivariate Gaussian posteriors, and the posterior covariances can be obtained by optimizing an interpretable objective combining a log-likelihood to improve performance with a series of KL-divergences which keep the posteriors close to the prior. We confirm these results experimentally in wide but finite DGPs. Next, we introduce the possibility of using this limit and objective as a flexible, deep generalisation of kernel methods, that we call deep kernel machines (DKMs). Like most naive kernel methods, DKMs scale cubically in the number of datapoints. We therefore use methods from the Gaussian process inducing point literature to develop a sparse DKM that scales linearly in the number of datapoints. Finally, we extend these approaches to NNs (which have non-Gaussian posteriors) in the Appendices.

Artificial neural networks (ANN) are inspired by human learning. However, unlike human education, classical ANN does not use a curriculum. Curriculum Learning (CL) refers to the process of ANN training in which examples are used in a meaningful order. When using CL, training begins with a subset of the dataset and new samples are added throughout the training, or training begins with the entire dataset and the number of samples used is reduced. With these changes in training dataset size, better results can be obtained with curriculum, anti-curriculum, or random-curriculum methods than the vanilla method. However, a generally efficient CL method for various architectures and data sets is not found. In this paper, we propose cyclical curriculum learning (CCL), in which the data size used during training changes cyclically rather than simply increasing or decreasing. Instead of using only the vanilla method or only the curriculum method, using both methods cyclically like in CCL provides more successful results. We tested the method on 18 different data sets and 15 architectures in image and text classification tasks and obtained more successful results than no-CL and existing CL methods. We also have shown theoretically that it is less erroneous to apply CL and vanilla cyclically instead of using only CL or only vanilla method. The code of Cyclical Curriculum is available at https://github.com/CyclicalCurriculum/Cyclical-Curriculum.

We introduce torchNTK, a python library to calculate the empirical neural tangent kernel (NTK) of neural network models in the PyTorch framework. We provide an efficient method to calculate the NTK of multilayer perceptrons. We compare the explicit differentiation implementation against autodifferentiation implementations, which have the benefit of extending the utility of the library to any architecture supported by PyTorch, such as convolutional networks. A feature of the library is that we expose the user to layerwise NTK components, and show that in some regimes a layerwise calculation is more memory efficient. We conduct preliminary experiments to demonstrate use cases for the software and probe the NTK.

Text classification of unseen classes is a challenging Natural Language Processing task and is mainly attempted using two different types of approaches. Similarity-based approaches attempt to classify instances based on similarities between text document representations and class description representations. Zero-shot text classification approaches aim to generalize knowledge gained from a training task by assigning appropriate labels of unknown classes to text documents. Although existing studies have already investigated individual approaches to these categories, the experiments in literature do not provide a consistent comparison. This paper addresses this gap by conducting a systematic evaluation of different similarity-based and zero-shot approaches for text classification of unseen classes. Different state-of-the-art approaches are benchmarked on four text classification datasets, including a new dataset from the medical domain. Additionally, novel SimCSE and SBERT-based baselines are proposed, as other baselines used in existing work yield weak classification results and are easily outperformed. Finally, the novel similarity-based Lbl2TransformerVec approach is presented, which outperforms previous state-of-the-art approaches in unsupervised text classification. Our experiments show that similarity-based approaches significantly outperform zero-shot approaches in most cases. Additionally, using SimCSE or SBERT embeddings instead of simpler text representations increases similarity-based classification results even further.

Albeit worryingly underrated in the recent literature on machine learning in general (and, on deep learning in particular), multivariate density estimation is a fundamental task in many applications, at least implicitly, and still an open issue. With a few exceptions, deep neural networks (DNNs) have seldom been applied to density estimation, mostly due to the unsupervised nature of the estimation task, and (especially) due to the need for constrained training algorithms that ended up realizing proper probabilistic models that satisfy Kolmogorov's axioms. Moreover, in spite of the well-known improvement in terms of modeling capabilities yielded by mixture models over plain single-density statistical estimators, no proper mixtures of multivariate DNN-based component densities have been investigated so far. The paper fills this gap by extending our previous work on Neural Mixture Densities (NMMs) to multivariate DNN mixtures. A maximum-likelihood (ML) algorithm for estimating Deep NMMs (DNMMs) is handed out, which satisfies numerically a combination of hard and soft constraints aimed at ensuring satisfaction of Kolmogorov's axioms. The class of probability density functions that can be modeled to any degree of precision via DNMMs is formally defined. A procedure for the automatic selection of the DNMM architecture, as well as of the hyperparameters for its ML training algorithm, is presented (exploiting the probabilistic nature of the DNMM). Experimental results on univariate and multivariate data are reported on, corroborating the effectiveness of the approach and its superiority to the most popular statistical estimation techniques.