Daily Papers

Convolutional neural networks (CNNs) are widely used for high-stakes applications like medicine, often surpassing human performance. However, most explanation methods rely on post-hoc attribution, approximating the decision-making process of already trained black-box models. These methods are often sensitive, unreliable, and fail to reflect true model reasoning, limiting their trustworthiness in critical applications. In this work, we introduce SoftCAM, a straightforward yet effective approach that makes standard CNN architectures inherently interpretable. By removing the global average pooling layer and replacing the fully connected classification layer with a convolution-based class evidence layer, SoftCAM preserves spatial information and produces explicit class activation maps that form the basis of the model's predictions. Evaluated on three medical datasets, SoftCAM maintains classification performance while significantly improving both the qualitative and quantitative explanation compared to existing post-hoc methods. Our results demonstrate that CNNs can be inherently interpretable without compromising performance, advancing the development of self-explainable deep learning for high-stakes decision-making. The code is available at https://github.com/kdjoumessi/SoftCAM

We propose to address the issue of sample efficiency, in Deep Convolutional Neural Networks (DCNN), with a semi-supervised training strategy that combines Hebbian learning with gradient descent: all internal layers (both convolutional and fully connected) are pre-trained using an unsupervised approach based on Hebbian learning, and the last fully connected layer (the classification layer) is trained using Stochastic Gradient Descent (SGD). In fact, as Hebbian learning is an unsupervised learning method, its potential lies in the possibility of training the internal layers of a DCNN without labels. Only the final fully connected layer has to be trained with labeled examples. We performed experiments on various object recognition datasets, in different regimes of sample efficiency, comparing our semi-supervised (Hebbian for internal layers + SGD for the final fully connected layer) approach with end-to-end supervised backprop training, and with semi-supervised learning based on Variational Auto-Encoder (VAE). The results show that, in regimes where the number of available labeled samples is low, our semi-supervised approach outperforms the other approaches in almost all the cases.

We present the first approach to automated audio captioning. We employ an encoder-decoder scheme with an alignment model in between. The input to the encoder is a sequence of log mel-band energies calculated from an audio file, while the output is a sequence of words, i.e. a caption. The encoder is a multi-layered, bi-directional gated recurrent unit (GRU) and the decoder a multi-layered GRU with a classification layer connected to the last GRU of the decoder. The classification layer and the alignment model are fully connected layers with shared weights between timesteps. The proposed method is evaluated using data drawn from a commercial sound effects library, ProSound Effects. The resulting captions were rated through metrics utilized in machine translation and image captioning fields. Results from metrics show that the proposed method can predict words appearing in the original caption, but not always correctly ordered.

We propose a novel deep network structure called "Network In Network" (NIN) to enhance model discriminability for local patches within the receptive field. The conventional convolutional layer uses linear filters followed by a nonlinear activation function to scan the input. Instead, we build micro neural networks with more complex structures to abstract the data within the receptive field. We instantiate the micro neural network with a multilayer perceptron, which is a potent function approximator. The feature maps are obtained by sliding the micro networks over the input in a similar manner as CNN; they are then fed into the next layer. Deep NIN can be implemented by stacking mutiple of the above described structure. With enhanced local modeling via the micro network, we are able to utilize global average pooling over feature maps in the classification layer, which is easier to interpret and less prone to overfitting than traditional fully connected layers. We demonstrated the state-of-the-art classification performances with NIN on CIFAR-10 and CIFAR-100, and reasonable performances on SVHN and MNIST datasets.

We present a novel usage of Transformers to make image classification interpretable. Unlike mainstream classifiers that wait until the last fully-connected layer to incorporate class information to make predictions, we investigate a proactive approach, asking each class to search for itself in an image. We realize this idea via a Transformer encoder-decoder inspired by DEtection TRansformer (DETR). We learn ``class-specific'' queries (one for each class) as input to the decoder, enabling each class to localize its patterns in an image via cross-attention. We name our approach INterpretable TRansformer (INTR), which is fairly easy to implement and exhibits several compelling properties. We show that INTR intrinsically encourages each class to attend distinctively; the cross-attention weights thus provide a faithful interpretation of the prediction. Interestingly, via ``multi-head'' cross-attention, INTR could identify different ``attributes'' of a class, making it particularly suitable for fine-grained classification and analysis, which we demonstrate on eight datasets. Our code and pre-trained model are publicly accessible at https://github.com/Imageomics/INTR.

Extreme multi-label text classification (XMTC) is the task of finding the most relevant subset labels from an extremely large-scale label collection. Recently, some deep learning models have achieved state-of-the-art results in XMTC tasks. These models commonly predict scores for all labels by a fully connected layer as the last layer of the model. However, such models can't predict a relatively complete and variable-length label subset for each document, because they select positive labels relevant to the document by a fixed threshold or take top k labels in descending order of scores. A less popular type of deep learning models called sequence-to-sequence (Seq2Seq) focus on predicting variable-length positive labels in sequence style. However, the labels in XMTC tasks are essentially an unordered set rather than an ordered sequence, the default order of labels restrains Seq2Seq models in training. To address this limitation in Seq2Seq, we propose an autoregressive sequence-to-set model for XMTC tasks named OTSeq2Set. Our model generates predictions in student-forcing scheme and is trained by a loss function based on bipartite matching which enables permutation-invariance. Meanwhile, we use the optimal transport distance as a measurement to force the model to focus on the closest labels in semantic label space. Experiments show that OTSeq2Set outperforms other competitive baselines on 4 benchmark datasets. Especially, on the Wikipedia dataset with 31k labels, it outperforms the state-of-the-art Seq2Seq method by 16.34% in micro-F1 score. The code is available at https://github.com/caojie54/OTSeq2Set.

Biodiversity plays a crucial role in maintaining the balance of the ecosystem. However, poaching and unintentional human activities contribute to the decline in the population of many species. Hence, active monitoring is required to preserve these endangered species. Current human-led monitoring techniques are prone to errors and are labor-intensive. Therefore, we study the application of deep learning methods like Convolutional Neural Networks (CNNs) and transfer learning, which can aid in automating the process of monitoring endangered species. For this, we create our custom dataset utilizing trustworthy online databases like iNaturalist and ZooChat. To choose the best model for our use case, we compare the performance of different architectures like DenseNet, ResNet, VGGNet, and YOLOv8 on the custom wildlife dataset. Transfer learning reduces training time by freezing the pre-trained weights and replacing only the output layer with custom, fully connected layers designed for our dataset. Our results indicate that YOLOv8 performs better, achieving a training accuracy of 97.39 % and an F1 score of 96.50 %, surpassing other models. Our findings suggest that integrating YOLOv8 into conservation efforts could revolutionize wildlife monitoring with its high accuracy and efficiency, potentially transforming how endangered species are monitored and protected worldwide.

Deep neural networks are ubiquitous due to the ease of developing models and their influence on other domains. At the heart of this progress is convolutional neural networks (CNNs) that are capable of learning representations or features given a set of data. Making sense of such complex models (i.e., millions of parameters and hundreds of layers) remains challenging for developers as well as the end-users. This is partially due to the lack of tools or interfaces capable of providing interpretability and transparency. A growing body of literature, for example, class activation map (CAM), focuses on making sense of what a model learns from the data or why it behaves poorly in a given task. This paper builds on previous ideas to cope with the increasing demand for interpretable, robust, and transparent models. Our approach provides a simpler and intuitive (or familiar) way of generating CAM. The proposed Eigen-CAM computes and visualizes the principle components of the learned features/representations from the convolutional layers. Empirical studies were performed to compare the Eigen-CAM with the state-of-the-art methods (such as Grad-CAM, Grad-CAM++, CNN-fixations) by evaluating on benchmark datasets such as weakly-supervised localization and localizing objects in the presence of adversarial noise. Eigen-CAM was found to be robust against classification errors made by fully connected layers in CNNs, does not rely on the backpropagation of gradients, class relevance score, maximum activation locations, or any other form of weighting features. In addition, it works with all CNN models without the need to modify layers or retrain models. Empirical results show up to 12% improvement over the best method among the methods compared on weakly supervised object localization.

We propose Equiangular Basis Vectors (EBVs) for classification tasks. In deep neural networks, models usually end with a k-way fully connected layer with softmax to handle different classification tasks. The learning objective of these methods can be summarized as mapping the learned feature representations to the samples' label space. While in metric learning approaches, the main objective is to learn a transformation function that maps training data points from the original space to a new space where similar points are closer while dissimilar points become farther apart. Different from previous methods, our EBVs generate normalized vector embeddings as "predefined classifiers" which are required to not only be with the equal status between each other, but also be as orthogonal as possible. By minimizing the spherical distance of the embedding of an input between its categorical EBV in training, the predictions can be obtained by identifying the categorical EBV with the smallest distance during inference. Various experiments on the ImageNet-1K dataset and other downstream tasks demonstrate that our method outperforms the general fully connected classifier while it does not introduce huge additional computation compared with classical metric learning methods. Our EBVs won the first place in the 2022 DIGIX Global AI Challenge, and our code is open-source and available at https://github.com/NJUST-VIPGroup/Equiangular-Basis-Vectors.

With the rapid development of Large Language Models (LLMs), aligning these models with human preferences and values is critical to ensuring ethical and safe applications. However, existing alignment techniques such as RLHF or DPO often require direct fine-tuning on LLMs with billions of parameters, resulting in substantial computational costs and inefficiencies. To address this, we propose Micro token-level Accept-Reject Aligning (MARA) approach designed to operate independently of the language models. MARA simplifies the alignment process by decomposing sentence-level preference learning into token-level binary classification, where a compact three-layer fully-connected network determines whether candidate tokens are "Accepted" or "Rejected" as part of the response. Extensive experiments across seven different LLMs and three open-source datasets show that MARA achieves significant improvements in alignment performance while reducing computational costs.

Deep learning techniques have provided significant improvements in hyperspectral image (HSI) classification. The current deep learning based HSI classifiers follow a patch-based learning framework by dividing the image into overlapping patches. As such, these methods are local learning methods, which have a high computational cost. In this paper, a fast patch-free global learning (FPGA) framework is proposed for HSI classification. In FPGA, an encoder-decoder based FCN is utilized to consider the global spatial information by processing the whole image, which results in fast inference. However, it is difficult to directly utilize the encoder-decoder based FCN for HSI classification as it always fails to converge due to the insufficiently diverse gradients caused by the limited training samples. To solve the divergence problem and maintain the abilities of FCN of fast inference and global spatial information mining, a global stochastic stratified sampling strategy is first proposed by transforming all the training samples into a stochastic sequence of stratified samples. This strategy can obtain diverse gradients to guarantee the convergence of the FCN in the FPGA framework. For a better design of FCN architecture, FreeNet, which is a fully end-to-end network for HSI classification, is proposed to maximize the exploitation of the global spatial information and boost the performance via a spectral attention based encoder and a lightweight decoder. A lateral connection module is also designed to connect the encoder and decoder, fusing the spatial details in the encoder and the semantic features in the decoder. The experimental results obtained using three public benchmark datasets suggest that the FPGA framework is superior to the patch-based framework in both speed and accuracy for HSI classification. Code has been made available at: https://github.com/Z-Zheng/FreeNet.

Convolutional Neural Networks (CNNs) have proven very effective in image classification and show promise for audio. We use various CNN architectures to classify the soundtracks of a dataset of 70M training videos (5.24 million hours) with 30,871 video-level labels. We examine fully connected Deep Neural Networks (DNNs), AlexNet [1], VGG [2], Inception [3], and ResNet [4]. We investigate varying the size of both training set and label vocabulary, finding that analogs of the CNNs used in image classification do well on our audio classification task, and larger training and label sets help up to a point. A model using embeddings from these classifiers does much better than raw features on the Audio Set [5] Acoustic Event Detection (AED) classification task.

Training large and highly accurate deep learning (DL) models is computationally costly. This cost is in great part due to the excessive number of trained parameters, which are well-known to be redundant and compressible for the execution phase. This paper proposes a novel transformation which changes the topology of the DL architecture such that it reaches an optimal cross-layer connectivity. This transformation leverages our important observation that for a set level of accuracy, convergence is fastest when network topology reaches the boundary of a Small-World Network. Small-world graphs are known to possess a specific connectivity structure that enables enhanced signal propagation among nodes. Our small-world models, called SWNets, provide several intriguing benefits: they facilitate data (gradient) flow within the network, enable feature-map reuse by adding long-range connections and accommodate various network architectures/datasets. Compared to densely connected networks (e.g., DenseNets), SWNets require a substantially fewer number of training parameters while maintaining a similar level of classification accuracy. We evaluate our networks on various DL model architectures and image classification datasets, namely, CIFAR10, CIFAR100, and ILSVRC (ImageNet). Our experiments demonstrate an average of ~2.1x improvement in convergence speed to the desired accuracy

Knowledge distillation transfers knowledge from the teacher network to the student one, with the goal of greatly improving the performance of the student network. Previous methods mostly focus on proposing feature transformation and loss functions between the same level's features to improve the effectiveness. We differently study the factor of connection path cross levels between teacher and student networks, and reveal its great importance. For the first time in knowledge distillation, cross-stage connection paths are proposed. Our new review mechanism is effective and structurally simple. Our finally designed nested and compact framework requires negligible computation overhead, and outperforms other methods on a variety of tasks. We apply our method to classification, object detection, and instance segmentation tasks. All of them witness significant student network performance improvement. Code is available at https://github.com/Jia-Research-Lab/ReviewKD

Recent work has shown that convolutional networks can be substantially deeper, more accurate, and efficient to train if they contain shorter connections between layers close to the input and those close to the output. In this paper, we embrace this observation and introduce the Dense Convolutional Network (DenseNet), which connects each layer to every other layer in a feed-forward fashion. Whereas traditional convolutional networks with L layers have L connections - one between each layer and its subsequent layer - our network has L(L+1)/2 direct connections. For each layer, the feature-maps of all preceding layers are used as inputs, and its own feature-maps are used as inputs into all subsequent layers. DenseNets have several compelling advantages: they alleviate the vanishing-gradient problem, strengthen feature propagation, encourage feature reuse, and substantially reduce the number of parameters. We evaluate our proposed architecture on four highly competitive object recognition benchmark tasks (CIFAR-10, CIFAR-100, SVHN, and ImageNet). DenseNets obtain significant improvements over the state-of-the-art on most of them, whilst requiring less computation to achieve high performance. Code and pre-trained models are available at https://github.com/liuzhuang13/DenseNet .

We propose Adaptive Integrated Layered Attention (AILA), a neural network architecture that combines dense skip connections with different mechanisms for adaptive feature reuse across network layers. We evaluate AILA on three challenging tasks: price forecasting for various commodities and indices (S&P 500, Gold, US dollar Futures, Coffee, Wheat), image recognition using the CIFAR-10 dataset, and sentiment analysis on the IMDB movie review dataset. In all cases, AILA matches strong deep learning baselines (LSTMs, Transformers, and ResNets), achieving it at a fraction of the training and inference time. Notably, we implement and test two versions of the model - AILA-Architecture 1, which uses simple linear layers as the connection mechanism between layers, and AILA-Architecture 2, which implements an attention mechanism to selectively focus on outputs from previous layers. Both architectures are applied in a single-task learning setting, with each model trained separately for individual tasks. Results confirm that AILA's adaptive inter-layer connections yield robust gains by flexibly reusing pertinent features at multiple network depths. The AILA approach thus presents an extension to existing architectures, improving long-range sequence modeling, image recognition with optimised computational speed, and SOTA classification performance in practice.

Learning discriminative deep feature embeddings by using million-scale in-the-wild datasets and margin-based softmax loss is the current state-of-the-art approach for face recognition. However, the memory and computing cost of the Fully Connected (FC) layer linearly scales up to the number of identities in the training set. Besides, the large-scale training data inevitably suffers from inter-class conflict and long-tailed distribution. In this paper, we propose a sparsely updating variant of the FC layer, named Partial FC (PFC). In each iteration, positive class centers and a random subset of negative class centers are selected to compute the margin-based softmax loss. All class centers are still maintained throughout the whole training process, but only a subset is selected and updated in each iteration. Therefore, the computing requirement, the probability of inter-class conflict, and the frequency of passive update on tail class centers, are dramatically reduced. Extensive experiments across different training data and backbones (e.g. CNN and ViT) confirm the effectiveness, robustness and efficiency of the proposed PFC. The source code is available at \https://github.com/deepinsight/insightface/tree/master/recognition.

Understanding the topology of decision regions is central to explaining the inner workings of deep neural networks. Prior empirical work has provided evidence that these regions are path connected. We study a stronger topological question: whether closed loops inside a decision region can be contracted without leaving that region. To this end, we propose an iterative quad-mesh filling procedure that constructs a finite-resolution label-preserving surface bounded by a given loop and lying entirely within the same decision region. We further connect this construction to natural Coons patches in order to quantify its deviation from a canonical geometric interpolation of the loop. By evaluating our method across several modern image-classification models, we provide empirical evidence supporting the hypothesis that decision regions in deep neural networks are not only path connected, but also simply connected.

Fully connected layers are a primary source of memory and computational overhead in deep neural networks due to their dense, often redundant parameterization. While various compression techniques exist, they frequently introduce complex engineering trade-offs or degrade model performance. We propose the Parametrized Random Projection (PRP) layer, a novel approach that decouples feature mixing from adaptation by utilizing a fixed random matrix modulated by lightweight, learnable element-wise parameters. This architecture drastically reduces the trainable parameter count to a linear scale while retaining reliable accuracy across various benchmarks. The design serves as a stable, computationally efficient solution for architectural scaling and deployment in resource-limited settings.

Deep classifiers are known to be sensitive to data distribution shifts, primarily due to their reliance on spurious correlations in training data. It has been suggested that these classifiers can still find useful features in the network's last layer that hold up under such shifts. In this work, we question the use of last-layer representations for out-of-distribution (OOD) generalisation and explore the utility of intermediate layers. To this end, we introduce Intermediate Layer Classifiers (ILCs). We discover that intermediate layer representations frequently offer substantially better generalisation than those from the penultimate layer. In many cases, zero-shot OOD generalisation using earlier-layer representations approaches the few-shot performance of retraining on penultimate layer representations. This is confirmed across multiple datasets, architectures, and types of distribution shifts. Our analysis suggests that intermediate layers are less sensitive to distribution shifts compared to the penultimate layer. These findings highlight the importance of understanding how information is distributed across network layers and its role in OOD generalisation, while also pointing to the limits of penultimate layer representation utility. Code is available at https://github.com/oshapio/intermediate-layer-generalization

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.

We demonstrate that architectures which traditionally are considered to be ill-suited for a task can be trained using inductive biases from another architecture. Networks are considered untrainable when they overfit, underfit, or converge to poor results even when tuning their hyperparameters. For example, plain fully connected networks overfit on object recognition while deep convolutional networks without residual connections underfit. The traditional answer is to change the architecture to impose some inductive bias, although what that bias is remains unknown. We introduce guidance, where a guide network guides a target network using a neural distance function. The target is optimized to perform well and to match its internal representations, layer-by-layer, to those of the guide; the guide is unchanged. If the guide is trained, this transfers over part of the architectural prior and knowledge of the guide to the target. If the guide is untrained, this transfers over only part of the architectural prior of the guide. In this manner, we can investigate what kinds of priors different architectures place on untrainable networks such as fully connected networks. We demonstrate that this method overcomes the immediate overfitting of fully connected networks on vision tasks, makes plain CNNs competitive to ResNets, closes much of the gap between plain vanilla RNNs and Transformers, and can even help Transformers learn tasks which RNNs can perform more easily. We also discover evidence that better initializations of fully connected networks likely exist to avoid overfitting. Our method provides a mathematical tool to investigate priors and architectures, and in the long term, may demystify the dark art of architecture creation, even perhaps turning architectures into a continuous optimizable parameter of the network.

Our proposed deeply-supervised nets (DSN) method simultaneously minimizes classification error while making the learning process of hidden layers direct and transparent. We make an attempt to boost the classification performance by studying a new formulation in deep networks. Three aspects in convolutional neural networks (CNN) style architectures are being looked at: (1) transparency of the intermediate layers to the overall classification; (2) discriminativeness and robustness of learned features, especially in the early layers; (3) effectiveness in training due to the presence of the exploding and vanishing gradients. We introduce "companion objective" to the individual hidden layers, in addition to the overall objective at the output layer (a different strategy to layer-wise pre-training). We extend techniques from stochastic gradient methods to analyze our algorithm. The advantage of our method is evident and our experimental result on benchmark datasets shows significant performance gain over existing methods (e.g. all state-of-the-art results on MNIST, CIFAR-10, CIFAR-100, and SVHN).

We introduce a modern Hopfield network with continuous states and a corresponding update rule. The new Hopfield network can store exponentially (with the dimension of the associative space) many patterns, retrieves the pattern with one update, and has exponentially small retrieval errors. It has three types of energy minima (fixed points of the update): (1) global fixed point averaging over all patterns, (2) metastable states averaging over a subset of patterns, and (3) fixed points which store a single pattern. The new update rule is equivalent to the attention mechanism used in transformers. This equivalence enables a characterization of the heads of transformer models. These heads perform in the first layers preferably global averaging and in higher layers partial averaging via metastable states. The new modern Hopfield network can be integrated into deep learning architectures as layers to allow the storage of and access to raw input data, intermediate results, or learned prototypes. These Hopfield layers enable new ways of deep learning, beyond fully-connected, convolutional, or recurrent networks, and provide pooling, memory, association, and attention mechanisms. We demonstrate the broad applicability of the Hopfield layers across various domains. Hopfield layers improved state-of-the-art on three out of four considered multiple instance learning problems as well as on immune repertoire classification with several hundreds of thousands of instances. On the UCI benchmark collections of small classification tasks, where deep learning methods typically struggle, Hopfield layers yielded a new state-of-the-art when compared to different machine learning methods. Finally, Hopfield layers achieved state-of-the-art on two drug design datasets. The implementation is available at: https://github.com/ml-jku/hopfield-layers

Modern deep neural networks have achieved impressive performance on tasks from image classification to natural language processing. Surprisingly, these complex systems with massive amounts of parameters exhibit the same structural properties in their last-layer features and classifiers across canonical datasets when training until convergence. In particular, it has been observed that the last-layer features collapse to their class-means, and those class-means are the vertices of a simplex Equiangular Tight Frame (ETF). This phenomenon is known as Neural Collapse (NC). Recent papers have theoretically shown that NC emerges in the global minimizers of training problems with the simplified "unconstrained feature model". In this context, we take a step further and prove the NC occurrences in deep linear networks for the popular mean squared error (MSE) and cross entropy (CE) losses, showing that global solutions exhibit NC properties across the linear layers. Furthermore, we extend our study to imbalanced data for MSE loss and present the first geometric analysis of NC under bias-free setting. Our results demonstrate the convergence of the last-layer features and classifiers to a geometry consisting of orthogonal vectors, whose lengths depend on the amount of data in their corresponding classes. Finally, we empirically validate our theoretical analyses on synthetic and practical network architectures with both balanced and imbalanced scenarios.

We present a simple, highly modularized network architecture for image classification. Our network is constructed by repeating a building block that aggregates a set of transformations with the same topology. Our simple design results in a homogeneous, multi-branch architecture that has only a few hyper-parameters to set. This strategy exposes a new dimension, which we call "cardinality" (the size of the set of transformations), as an essential factor in addition to the dimensions of depth and width. On the ImageNet-1K dataset, we empirically show that even under the restricted condition of maintaining complexity, increasing cardinality is able to improve classification accuracy. Moreover, increasing cardinality is more effective than going deeper or wider when we increase the capacity. Our models, named ResNeXt, are the foundations of our entry to the ILSVRC 2016 classification task in which we secured 2nd place. We further investigate ResNeXt on an ImageNet-5K set and the COCO detection set, also showing better results than its ResNet counterpart. The code and models are publicly available online.

Efficient neural networks are essential for scaling machine learning models to real-time applications and resource-constrained environments. Fully-connected feedforward layers (FFLs) introduce computation and parameter count bottlenecks within neural network architectures. To address this challenge, in this work, we propose a new class of dense layers that generalize standard fully-connected feedforward layers, Efficient, Unified and General dense layers (EUGens). EUGens leverage random features to approximate standard FFLs and go beyond them by incorporating a direct dependence on the input norms in their computations. The proposed layers unify existing efficient FFL extensions and improve efficiency by reducing inference complexity from quadratic to linear time. They also lead to the first unbiased algorithms approximating FFLs with arbitrary polynomial activation functions. Furthermore, EuGens reduce the parameter count and computational overhead while preserving the expressive power and adaptability of FFLs. We also present a layer-wise knowledge transfer technique that bypasses backpropagation, enabling efficient adaptation of EUGens to pre-trained models. Empirically, we observe that integrating EUGens into Transformers and MLPs yields substantial improvements in inference speed (up to 27\%) and memory efficiency (up to 30\%) across a range of tasks, including image classification, language model pre-training, and 3D scene reconstruction. Overall, our results highlight the potential of EUGens for the scalable deployment of large-scale neural networks in real-world scenarios.

Tabular data in knowledge-rich domains often carries a latent prior in the form of Boolean implication relationships (BIRs) between pairs of features. We mine such relationships with a sparse-exception binomial test. The mined implications form a typed directed graph, equivalent to a propositional rule base of 2-literal clauses. We encode this graph as the connectivity of a layered neural network, called BIRDNet, in which each hidden unit corresponds to one mined rule and binds only to its two features. We show two consequences of this design: First, the architecture is sparse by construction: at most 2/d of the weights in each BIR layer are active, where d is the input dimension. Second, the model is interpretable: every trained unit keeps a stable symbolic identity, so rules can be read off the network without surrogate models. Unlike most neurosymbolic models, BIRDNet does not consume an external rule base; its structural prior is mined from the data. We evaluate BIRDNet on six transcriptomic and proteomic benchmarks. Our results show that BIRDNet stays within 0.02 AUROC of the strongest dense baseline, at a small accuracy cost, while using up to 96times fewer active parameters than an architecture-matched dense MLP. First-layer rules recover known biological signatures across multiple cancer subtypes and tissue types, including canonical amplicons, lineage-defining co-expression modules, and immune-infiltration markers. Data and code are available at: https://github.com/MAHI-Group/BIRDNet.

The learnability of different neural architectures can be characterized directly by computable measures of data complexity. In this paper, we reframe the problem of architecture selection as understanding how data determines the most expressive and generalizable architectures suited to that data, beyond inductive bias. After suggesting algebraic topology as a measure for data complexity, we show that the power of a network to express the topological complexity of a dataset in its decision region is a strictly limiting factor in its ability to generalize. We then provide the first empirical characterization of the topological capacity of neural networks. Our empirical analysis shows that at every level of dataset complexity, neural networks exhibit topological phase transitions. This observation allowed us to connect existing theory to empirically driven conjectures on the choice of architectures for fully-connected neural networks.

Interpretability work on the convolutional layers of CNNs has primarily focused on computer vision, but some studies also explore correspondences between the latent space and the output in the audio domain. However, it has not been thoroughly examined how acoustic and linguistic information is represented in the fully connected (FC) layer that bridges the latent space and convolutional layers. The current study presents the first exploration of how the FC layer of CNNs for speech synthesis encodes linguistically relevant information. We propose two techniques for exploration of the fully connected layer. In Experiment 1, we use weight matrices as inputs into convolutional layers. In Experiment 2, we manipulate the FC layer to explore how symbolic-like representations are encoded in CNNs. We leverage the fact that the FC layer outputs a feature map and that variable-specific weight matrices are temporally structured to (1) demonstrate how the distribution of learned weights varies between latent variables in systematic ways and (2) demonstrate how manipulating the FC layer while holding constant subsequent model parameters affects the output. We ultimately present an FC manipulation that can output a single segment. Using this technique, we show that lexically specific latent codes in generative CNNs (ciwGAN) have shared lexically invariant sublexical representations in the FC-layer weights, showing that ciwGAN encodes lexical information in a linguistically principled manner.

We present Deep Graph Infomax (DGI), a general approach for learning node representations within graph-structured data in an unsupervised manner. DGI relies on maximizing mutual information between patch representations and corresponding high-level summaries of graphs---both derived using established graph convolutional network architectures. The learnt patch representations summarize subgraphs centered around nodes of interest, and can thus be reused for downstream node-wise learning tasks. In contrast to most prior approaches to unsupervised learning with GCNs, DGI does not rely on random walk objectives, and is readily applicable to both transductive and inductive learning setups. We demonstrate competitive performance on a variety of node classification benchmarks, which at times even exceeds the performance of supervised learning.

It is well known that featuremap attention and multi-path representation are important for visual recognition. In this paper, we present a modularized architecture, which applies the channel-wise attention on different network branches to leverage their success in capturing cross-feature interactions and learning diverse representations. Our design results in a simple and unified computation block, which can be parameterized using only a few variables. Our model, named ResNeSt, outperforms EfficientNet in accuracy and latency trade-off on image classification. In addition, ResNeSt has achieved superior transfer learning results on several public benchmarks serving as the backbone, and has been adopted by the winning entries of COCO-LVIS challenge. The source code for complete system and pretrained models are publicly available.

Visual recognition requires rich representations that span levels from low to high, scales from small to large, and resolutions from fine to coarse. Even with the depth of features in a convolutional network, a layer in isolation is not enough: compounding and aggregating these representations improves inference of what and where. Architectural efforts are exploring many dimensions for network backbones, designing deeper or wider architectures, but how to best aggregate layers and blocks across a network deserves further attention. Although skip connections have been incorporated to combine layers, these connections have been "shallow" themselves, and only fuse by simple, one-step operations. We augment standard architectures with deeper aggregation to better fuse information across layers. Our deep layer aggregation structures iteratively and hierarchically merge the feature hierarchy to make networks with better accuracy and fewer parameters. Experiments across architectures and tasks show that deep layer aggregation improves recognition and resolution compared to existing branching and merging schemes. The code is at https://github.com/ucbdrive/dla.

Production LLM systems often rely on separate models for safety and other classification-heavy steps, increasing latency, VRAM footprint, and operational complexity. We instead reuse computation already paid for by the serving LLM: we train lightweight probes on its hidden states and predict labels in the same forward pass used for generation. We frame classification as representation selection over the full token-layer hidden-state tensor, rather than committing to a fixed token or fixed layer (e.g., first-token logits or final-layer pooling). To implement this, we introduce a two-stage aggregator that (i) summarizes tokens within each layer and (ii) aggregates across layer summaries to form a single representation for classification. We instantiate this template with direct pooling, a 100K-parameter scoring-attention gate, and a downcast multi-head self-attention (MHA) probe with up to 35M trainable parameters. Across safety and sentiment benchmarks our probes improve over logit-only reuse (e.g., MULI) and are competitive with substantially larger task-specific baselines, while preserving near-serving latency and avoiding the VRAM and latency costs of a separate guard-model pipeline.

Fine-grained image labels are desirable for many computer vision applications, such as visual search or mobile AI assistant. These applications rely on image classification models that can produce hundreds of thousands (e.g. 100K) of diversified fine-grained image labels on input images. However, training a network at this vocabulary scale is challenging, and suffers from intolerable large model size and slow training speed, which leads to unsatisfying classification performance. A straightforward solution would be training separate expert networks (specialists), with each specialist focusing on learning one specific vertical (e.g. cars, birds...). However, deploying dozens of expert networks in a practical system would significantly increase system complexity and inference latency, and consumes large amounts of computational resources. To address these challenges, we propose a Knowledge Concentration method, which effectively transfers the knowledge from dozens of specialists (multiple teacher networks) into one single model (one student network) to classify 100K object categories. There are three salient aspects in our method: (1) a multi-teacher single-student knowledge distillation framework; (2) a self-paced learning mechanism to allow the student to learn from different teachers at various paces; (3) structurally connected layers to expand the student network capacity with limited extra parameters. We validate our method on OpenImage and a newly collected dataset, Entity-Foto-Tree (EFT), with 100K categories, and show that the proposed model performs significantly better than the baseline generalist model.

Properties such as composability and automatic differentiation made artificial neural networks a pervasive tool in applications. Tackling more challenging problems caused neural networks to progressively become more complex and thus difficult to define from a mathematical perspective. We present a general definition of linear layer arising from a categorical framework based on the notions of integration theory and parametric spans. This definition generalizes and encompasses classical layers (e.g., dense, convolutional), while guaranteeing existence and computability of the layer's derivatives for backpropagation.

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.

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.

Airway segmentation on CT scans is critical for pulmonary disease diagnosis and endobronchial navigation. Manual extraction of airway requires strenuous efforts due to the complicated structure and various appearance of airway. For automatic airway extraction, convolutional neural networks (CNNs) based methods have recently become the state-of-the-art approach. However, there still remains a challenge for CNNs to perceive the tree-like pattern and comprehend the connectivity of airway. To address this, we propose a voxel-connectivity aware approach named AirwayNet for accurate airway segmentation. By connectivity modeling, conventional binary segmentation task is transformed into 26 tasks of connectivity prediction. Thus, our AirwayNet learns both airway structure and relationship between neighboring voxels. To take advantage of context knowledge, lung distance map and voxel coordinates are fed into AirwayNet as additional semantic information. Compared to existing approaches, AirwayNet achieved superior performance, demonstrating the effectiveness of the network's awareness of voxel connectivity.

Designing architectures for deep neural networks requires expert knowledge and substantial computation time. We propose a technique to accelerate architecture selection by learning an auxiliary HyperNet that generates the weights of a main model conditioned on that model's architecture. By comparing the relative validation performance of networks with HyperNet-generated weights, we can effectively search over a wide range of architectures at the cost of a single training run. To facilitate this search, we develop a flexible mechanism based on memory read-writes that allows us to define a wide range of network connectivity patterns, with ResNet, DenseNet, and FractalNet blocks as special cases. We validate our method (SMASH) on CIFAR-10 and CIFAR-100, STL-10, ModelNet10, and Imagenet32x32, achieving competitive performance with similarly-sized hand-designed networks. Our code is available at https://github.com/ajbrock/SMASH

Transformer layers, which use an alternating pattern of multi-head attention and multi-layer perceptron (MLP) layers, provide an effective tool for a variety of machine learning problems. As the transformer layers use residual connections to avoid the problem of vanishing gradients, they can be viewed as the numerical integration of a differential equation. In this extended abstract, we build upon this connection and propose a modification of the internal architecture of a transformer layer. The proposed model places the multi-head attention sublayer and the MLP sublayer parallel to each other. Our experiments show that this simple modification improves the performance of transformer networks in multiple tasks. Moreover, for the image classification task, we show that using neural ODE solvers with a sophisticated integration scheme further improves performance.

We introduce an algorithm where the individual bits representing the weights of a neural network are learned. This method allows training weights with integer values on arbitrary bit-depths and naturally uncovers sparse networks, without additional constraints or regularization techniques. We show better results than the standard training technique with fully connected networks and similar performance as compared to standard training for convolutional and residual networks. By training bits in a selective manner we found that the biggest contribution to achieving high accuracy is given by the first three most significant bits, while the rest provide an intrinsic regularization. As a consequence more than 90\% of a network can be used to store arbitrary codes without affecting its accuracy. These codes may be random noise, binary files or even the weights of previously trained networks.

Recent works have suggested that finite Bayesian neural networks may sometimes outperform their infinite cousins because finite networks can flexibly adapt their internal representations. However, our theoretical understanding of how the learned hidden layer representations of finite networks differ from the fixed representations of infinite networks remains incomplete. Perturbative finite-width corrections to the network prior and posterior have been studied, but the asymptotics of learned features have not been fully characterized. Here, we argue that the leading finite-width corrections to the average feature kernels for any Bayesian network with linear readout and Gaussian likelihood have a largely universal form. We illustrate this explicitly for three tractable network architectures: deep linear fully-connected and convolutional networks, and networks with a single nonlinear hidden layer. Our results begin to elucidate how task-relevant learning signals shape the hidden layer representations of wide Bayesian neural networks.

Deep feedforward and recurrent networks have achieved impressive results in many perception and language processing applications. This success is partially attributed to architectural innovations such as convolutional and long short-term memory networks. The main motivation for these architectural innovations is that they capture better domain knowledge, and importantly are easier to optimize than more basic architectures. Recently, more complex architectures such as Neural Turing Machines and Memory Networks have been proposed for tasks including question answering and general computation, creating a new set of optimization challenges. In this paper, we discuss a low-overhead and easy-to-implement technique of adding gradient noise which we find to be surprisingly effective when training these very deep architectures. The technique not only helps to avoid overfitting, but also can result in lower training loss. This method alone allows a fully-connected 20-layer deep network to be trained with standard gradient descent, even starting from a poor initialization. We see consistent improvements for many complex models, including a 72% relative reduction in error rate over a carefully-tuned baseline on a challenging question-answering task, and a doubling of the number of accurate binary multiplication models learned across 7,000 random restarts. We encourage further application of this technique to additional complex modern architectures.

The transformer architecture by Vaswani et al. (2017) is now ubiquitous across application domains, from natural language processing to speech processing and image understanding. We propose DenseFormer, a simple modification to the standard architecture that improves the perplexity of the model without increasing its size -- adding a few thousand parameters for large-scale models in the 100B parameters range. Our approach relies on an additional averaging step after each transformer block, which computes a weighted average of current and past representations -- we refer to this operation as Depth-Weighted-Average (DWA). The learned DWA weights exhibit coherent patterns of information flow, revealing the strong and structured reuse of activations from distant layers. Experiments demonstrate that DenseFormer is more data efficient, reaching the same perplexity of much deeper transformer models, and that for the same perplexity, these new models outperform transformer baselines in terms of memory efficiency and inference time.

Given a small set of labeled data and a large set of unlabeled data, semi-supervised learning (SSL) attempts to leverage the location of the unlabeled datapoints in order to create a better classifier than could be obtained from supervised methods applied to the labeled training set alone. Effective SSL imposes structural assumptions on the data, e.g. that neighbors are more likely to share a classification or that the decision boundary lies in an area of low density. For complex and high-dimensional data, neural networks can learn feature embeddings to which traditional SSL methods can then be applied in what we call hybrid methods. Previously-developed hybrid methods iterate between refining a latent representation and performing graph-based SSL on this representation. In this paper, we introduce a novel hybrid method that instead applies low-density separation to the embedded features. We describe it in detail and discuss why low-density separation may be better suited for SSL on neural network-based embeddings than graph-based algorithms. We validate our method using in-house customer survey data and compare it to other state-of-the-art learning methods. Our approach effectively classifies thousands of unlabeled users from a relatively small number of hand-classified examples.

In this paper, we propose a patch-based architecture for multi-label classification problems where only a single positive label is observed in images of the dataset. Our contributions are twofold. First, we introduce a light patch architecture based on the attention mechanism. Next, leveraging on patch embedding self-similarities, we provide a novel strategy for estimating negative examples and deal with positive and unlabeled learning problems. Experiments demonstrate that our architecture can be trained from scratch, whereas pre-training on similar databases is required for related methods from the literature.

Graph convolutional neural networks have recently shown great potential for the task of zero-shot learning. These models are highly sample efficient as related concepts in the graph structure share statistical strength allowing generalization to new classes when faced with a lack of data. However, multi-layer architectures, which are required to propagate knowledge to distant nodes in the graph, dilute the knowledge by performing extensive Laplacian smoothing at each layer and thereby consequently decrease performance. In order to still enjoy the benefit brought by the graph structure while preventing dilution of knowledge from distant nodes, we propose a Dense Graph Propagation (DGP) module with carefully designed direct links among distant nodes. DGP allows us to exploit the hierarchical graph structure of the knowledge graph through additional connections. These connections are added based on a node's relationship to its ancestors and descendants. A weighting scheme is further used to weigh their contribution depending on the distance to the node to improve information propagation in the graph. Combined with finetuning of the representations in a two-stage training approach our method outperforms state-of-the-art zero-shot learning approaches.

The Mixture-of-Experts (MoE) layer, a sparsely-activated model controlled by a router, has achieved great success in deep learning. However, the understanding of such architecture remains elusive. In this paper, we formally study how the MoE layer improves the performance of neural network learning and why the mixture model will not collapse into a single model. Our empirical results suggest that the cluster structure of the underlying problem and the non-linearity of the expert are pivotal to the success of MoE. To further understand this, we consider a challenging classification problem with intrinsic cluster structures, which is hard to learn using a single expert. Yet with the MoE layer, by choosing the experts as two-layer nonlinear convolutional neural networks (CNNs), we show that the problem can be learned successfully. Furthermore, our theory shows that the router can learn the cluster-center features, which helps divide the input complex problem into simpler linear classification sub-problems that individual experts can conquer. To our knowledge, this is the first result towards formally understanding the mechanism of the MoE layer for deep learning.

Designing an efficient model within the limited computational cost is challenging. We argue the accuracy of a lightweight model has been further limited by the design convention: a stage-wise configuration of the channel dimensions, which looks like a piecewise linear function of the network stage. In this paper, we study an effective channel dimension configuration towards better performance than the convention. To this end, we empirically study how to design a single layer properly by analyzing the rank of the output feature. We then investigate the channel configuration of a model by searching network architectures concerning the channel configuration under the computational cost restriction. Based on the investigation, we propose a simple yet effective channel configuration that can be parameterized by the layer index. As a result, our proposed model following the channel parameterization achieves remarkable performance on ImageNet classification and transfer learning tasks including COCO object detection, COCO instance segmentation, and fine-grained classifications. Code and ImageNet pretrained models are available at https://github.com/clovaai/rexnet.

Averaging neural network parameters is an intuitive method for fusing the knowledge of two independent models. It is most prominently used in federated learning. If models are averaged at the end of training, this can only lead to a good performing model if the loss surface of interest is very particular, i.e., the loss in the midpoint between the two models needs to be sufficiently low. This is impossible to guarantee for the non-convex losses of state-of-the-art networks. For averaging models trained on vastly different datasets, it was proposed to average only the parameters of particular layers or combinations of layers, resulting in better performing models. To get a better understanding of the effect of layer-wise averaging, we analyse the performance of the models that result from averaging single layers, or groups of layers. Based on our empirical and theoretical investigation, we introduce a novel notion of the layer-wise linear connectivity, and show that deep networks do not have layer-wise barriers between them.

Recent advances in representation learning on graphs, mainly leveraging graph convolutional networks, have brought a substantial improvement on many graph-based benchmark tasks. While novel approaches to learning node embeddings are highly suitable for node classification and link prediction, their application to graph classification (predicting a single label for the entire graph) remains mostly rudimentary, typically using a single global pooling step to aggregate node features or a hand-designed, fixed heuristic for hierarchical coarsening of the graph structure. An important step towards ameliorating this is differentiable graph coarsening---the ability to reduce the size of the graph in an adaptive, data-dependent manner within a graph neural network pipeline, analogous to image downsampling within CNNs. However, the previous prominent approach to pooling has quadratic memory requirements during training and is therefore not scalable to large graphs. Here we combine several recent advances in graph neural network design to demonstrate that competitive hierarchical graph classification results are possible without sacrificing sparsity. Our results are verified on several established graph classification benchmarks, and highlight an important direction for future research in graph-based neural networks.

Deep neural networks have a good success record and are thus viewed as the best architecture choice for complex applications. Their main shortcoming has been, for a long time, the vanishing gradient which prevented the numerical optimization algorithms from acceptable convergence. A breakthrough has been achieved by the concept of residual connections -- an identity mapping parallel to a conventional layer. This concept is applicable to stacks of layers of the same dimension and substantially alleviates the vanishing gradient problem. A stack of residual connection layers can be expressed as an expansion of terms similar to the Taylor expansion. This expansion suggests the possibility of truncating the higher-order terms and receiving an architecture consisting of a single broad layer composed of all initially stacked layers in parallel. In other words, a sequential deep architecture is substituted by a parallel shallow one. Prompted by this theory, we investigated the performance capabilities of the parallel architecture in comparison to the sequential one. The computer vision datasets MNIST and CIFAR10 were used to train both architectures for a total of 6912 combinations of varying numbers of convolutional layers, numbers of filters, kernel sizes, and other meta parameters. Our findings demonstrate a surprising equivalence between the deep (sequential) and shallow (parallel) architectures. Both layouts produced similar results in terms of training and validation set loss. This discovery implies that a wide, shallow architecture can potentially replace a deep network without sacrificing performance. Such substitution has the potential to simplify network architectures, improve optimization efficiency, and accelerate the training process.

Most of the dominant approaches to continual learning are based on either memory replay, parameter isolation, or regularization techniques that require task boundaries to calculate task statistics. We propose a static architecture-based method that doesn't use any of these. We show that we can improve the continual learning performance by replacing the final layer of our networks with our pairwise interaction layer. The pairwise interaction layer uses sparse representations from a Winner-take-all style activation function to find the relevant correlations in the hidden layer representations. The networks using this architecture show competitive performance in MNIST and FashionMNIST-based continual image classification experiments. We demonstrate this in an online streaming continual learning setup where the learning system cannot access task labels or boundaries.

We introduce the Single Stage Headless (SSH) face detector. Unlike two stage proposal-classification detectors, SSH detects faces in a single stage directly from the early convolutional layers in a classification network. SSH is headless. That is, it is able to achieve state-of-the-art results while removing the "head" of its underlying classification network -- i.e. all fully connected layers in the VGG-16 which contains a large number of parameters. Additionally, instead of relying on an image pyramid to detect faces with various scales, SSH is scale-invariant by design. We simultaneously detect faces with different scales in a single forward pass of the network, but from different layers. These properties make SSH fast and light-weight. Surprisingly, with a headless VGG-16, SSH beats the ResNet-101-based state-of-the-art on the WIDER dataset. Even though, unlike the current state-of-the-art, SSH does not use an image pyramid and is 5X faster. Moreover, if an image pyramid is deployed, our light-weight network achieves state-of-the-art on all subsets of the WIDER dataset, improving the AP by 2.5%. SSH also reaches state-of-the-art results on the FDDB and Pascal-Faces datasets while using a small input size, leading to a runtime of 50 ms/image on a GPU. The code is available at https://github.com/mahyarnajibi/SSH.

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.

Recent works have demonstrated reasonable success of representation learning in hypercomplex space. Specifically, "fully-connected layers with Quaternions" (4D hypercomplex numbers), which replace real-valued matrix multiplications in fully-connected layers with Hamilton products of Quaternions, both enjoy parameter savings with only 1/4 learnable parameters and achieve comparable performance in various applications. However, one key caveat is that hypercomplex space only exists at very few predefined dimensions (4D, 8D, and 16D). This restricts the flexibility of models that leverage hypercomplex multiplications. To this end, we propose parameterizing hypercomplex multiplications, allowing models to learn multiplication rules from data regardless of whether such rules are predefined. As a result, our method not only subsumes the Hamilton product, but also learns to operate on any arbitrary nD hypercomplex space, providing more architectural flexibility using arbitrarily 1/n learnable parameters compared with the fully-connected layer counterpart. Experiments of applications to the LSTM and Transformer models on natural language inference, machine translation, text style transfer, and subject verb agreement demonstrate architectural flexibility and effectiveness of the proposed approach.

Graph Neural Networks (GNNs) have shown exceptional performance in the task of link prediction. Despite their effectiveness, the high latency brought by non-trivial neighborhood data dependency limits GNNs in practical deployments. Conversely, the known efficient MLPs are much less effective than GNNs due to the lack of relational knowledge. In this work, to combine the advantages of GNNs and MLPs, we start with exploring direct knowledge distillation (KD) methods for link prediction, i.e., predicted logit-based matching and node representation-based matching. Upon observing direct KD analogs do not perform well for link prediction, we propose a relational KD framework, Linkless Link Prediction (LLP), to distill knowledge for link prediction with MLPs. Unlike simple KD methods that match independent link logits or node representations, LLP distills relational knowledge that is centered around each (anchor) node to the student MLP. Specifically, we propose rank-based matching and distribution-based matching strategies that complement each other. Extensive experiments demonstrate that LLP boosts the link prediction performance of MLPs with significant margins, and even outperforms the teacher GNNs on 7 out of 8 benchmarks. LLP also achieves a 70.68x speedup in link prediction inference compared to GNNs on the large-scale OGB dataset.

Very deep convolutional networks have been central to the largest advances in image recognition performance in recent years. One example is the Inception architecture that has been shown to achieve very good performance at relatively low computational cost. Recently, the introduction of residual connections in conjunction with a more traditional architecture has yielded state-of-the-art performance in the 2015 ILSVRC challenge; its performance was similar to the latest generation Inception-v3 network. This raises the question of whether there are any benefit in combining the Inception architecture with residual connections. Here we give clear empirical evidence that training with residual connections accelerates the training of Inception networks significantly. There is also some evidence of residual Inception networks outperforming similarly expensive Inception networks without residual connections by a thin margin. We also present several new streamlined architectures for both residual and non-residual Inception networks. These variations improve the single-frame recognition performance on the ILSVRC 2012 classification task significantly. We further demonstrate how proper activation scaling stabilizes the training of very wide residual Inception networks. With an ensemble of three residual and one Inception-v4, we achieve 3.08 percent top-5 error on the test set of the ImageNet classification (CLS) challenge

Modern machine learning suffers from catastrophic forgetting when learning new classes incrementally. The performance dramatically degrades due to the missing data of old classes. Incremental learning methods have been proposed to retain the knowledge acquired from the old classes, by using knowledge distilling and keeping a few exemplars from the old classes. However, these methods struggle to scale up to a large number of classes. We believe this is because of the combination of two factors: (a) the data imbalance between the old and new classes, and (b) the increasing number of visually similar classes. Distinguishing between an increasing number of visually similar classes is particularly challenging, when the training data is unbalanced. We propose a simple and effective method to address this data imbalance issue. We found that the last fully connected layer has a strong bias towards the new classes, and this bias can be corrected by a linear model. With two bias parameters, our method performs remarkably well on two large datasets: ImageNet (1000 classes) and MS-Celeb-1M (10000 classes), outperforming the state-of-the-art algorithms by 11.1% and 13.2% respectively.

Continual learning (CL) aims to empower models to learn new tasks without forgetting previously acquired knowledge. Most prior works concentrate on the techniques of architectures, replay data, regularization, \etc. However, the category name of each class is largely neglected. Existing methods commonly utilize the one-hot labels and randomly initialize the classifier head. We argue that the scarce semantic information conveyed by the one-hot labels hampers the effective knowledge transfer across tasks. In this paper, we revisit the role of the classifier head within the CL paradigm and replace the classifier with semantic knowledge from pretrained language models (PLMs). Specifically, we use PLMs to generate semantic targets for each class, which are frozen and serve as supervision signals during training. Such targets fully consider the semantic correlation between all classes across tasks. Empirical studies show that our approach mitigates forgetting by alleviating representation drifting and facilitating knowledge transfer across tasks. The proposed method is simple to implement and can seamlessly be plugged into existing methods with negligible adjustments. Extensive experiments based on eleven mainstream baselines demonstrate the effectiveness and generalizability of our approach to various protocols. For example, under the class-incremental learning setting on ImageNet-100, our method significantly improves the Top-1 accuracy by 3.2\% to 6.1\% while reducing the forgetting rate by 2.6\% to 13.1\%.

Learning powerful data embeddings has become a center piece in machine learning, especially in natural language processing and computer vision domains. The crux of these embeddings is that they are pretrained on huge corpus of data in a unsupervised fashion, sometimes aided with transfer learning. However currently in the graph learning domain, embeddings learned through existing graph neural networks (GNNs) are task dependent and thus cannot be shared across different datasets. In this paper, we present a first powerful and theoretically guaranteed graph neural network that is designed to learn task-independent graph embeddings, thereafter referred to as deep universal graph embedding (DUGNN). Our DUGNN model incorporates a novel graph neural network (as a universal graph encoder) and leverages rich Graph Kernels (as a multi-task graph decoder) for both unsupervised learning and (task-specific) adaptive supervised learning. By learning task-independent graph embeddings across diverse datasets, DUGNN also reaps the benefits of transfer learning. Through extensive experiments and ablation studies, we show that the proposed DUGNN model consistently outperforms both the existing state-of-art GNN models and Graph Kernels by an increased accuracy of 3% - 8% on graph classification benchmark datasets.

Neural networks have become an increasingly popular tool for solving many real-world problems. They are a general framework for differentiable optimization which includes many other machine learning approaches as special cases. In this thesis we build a category-theoretic formalism around a class of neural networks exemplified by CycleGAN. CycleGAN is a collection of neural networks, closed under composition, whose inductive bias is increased by enforcing composition invariants, i.e. cycle-consistencies. Inspired by Functorial Data Migration, we specify the interconnection of these networks using a categorical schema, and network instances as set-valued functors on this schema. We also frame neural network architectures, datasets, models, and a number of other concepts in a categorical setting and thus show a special class of functors, rather than functions, can be learned using gradient descent. We use the category-theoretic framework to conceive a novel neural network architecture whose goal is to learn the task of object insertion and object deletion in images with unpaired data. We test the architecture on three different datasets and obtain promising results.

Many interpretable AI approaches have been proposed to provide plausible explanations for a model's decision-making. However, configuring an explainable model that effectively communicates among computational modules has received less attention. A recently proposed shared global workspace theory showed that networks of distributed modules can benefit from sharing information with a bottlenecked memory because the communication constraints encourage specialization, compositionality, and synchronization among the modules. Inspired by this, we propose Concept-Centric Transformers, a simple yet effective configuration of the shared global workspace for interpretability, consisting of: i) an object-centric-based memory module for extracting semantic concepts from input features, ii) a cross-attention mechanism between the learned concept and input embeddings, and iii) standard classification and explanation losses to allow human analysts to directly assess an explanation for the model's classification reasoning. We test our approach against other existing concept-based methods on classification tasks for various datasets, including CIFAR100, CUB-200-2011, and ImageNet, and we show that our model achieves better classification accuracy than all baselines across all problems but also generates more consistent concept-based explanations of classification output.

The activation function plays a crucial role in model optimisation, yet the optimal choice remains unclear. For example, the Sigmoid activation is the de-facto activation in balanced classification tasks, however, in imbalanced classification, it proves inappropriate due to bias towards frequent classes. In this work, we delve deeper in this phenomenon by performing a comprehensive statistical analysis in the classification and intermediate layers of both balanced and imbalanced networks and we empirically show that aligning the activation function with the data distribution, enhances the performance in both balanced and imbalanced tasks. To this end, we propose the Adaptive Parametric Activation (APA) function, a novel and versatile activation function that unifies most common activation functions under a single formula. APA can be applied in both intermediate layers and attention layers, significantly outperforming the state-of-the-art on several imbalanced benchmarks such as ImageNet-LT, iNaturalist2018, Places-LT, CIFAR100-LT and LVIS and balanced benchmarks such as ImageNet1K, COCO and V3DET. The code is available at https://github.com/kostas1515/AGLU.

Link prediction for knowledge graphs is the task of predicting missing relationships between entities. Previous work on link prediction has focused on shallow, fast models which can scale to large knowledge graphs. However, these models learn less expressive features than deep, multi-layer models -- which potentially limits performance. In this work, we introduce ConvE, a multi-layer convolutional network model for link prediction, and report state-of-the-art results for several established datasets. We also show that the model is highly parameter efficient, yielding the same performance as DistMult and R-GCN with 8x and 17x fewer parameters. Analysis of our model suggests that it is particularly effective at modelling nodes with high indegree -- which are common in highly-connected, complex knowledge graphs such as Freebase and YAGO3. In addition, it has been noted that the WN18 and FB15k datasets suffer from test set leakage, due to inverse relations from the training set being present in the test set -- however, the extent of this issue has so far not been quantified. We find this problem to be severe: a simple rule-based model can achieve state-of-the-art results on both WN18 and FB15k. To ensure that models are evaluated on datasets where simply exploiting inverse relations cannot yield competitive results, we investigate and validate several commonly used datasets -- deriving robust variants where necessary. We then perform experiments on these robust datasets for our own and several previously proposed models and find that ConvE achieves state-of-the-art Mean Reciprocal Rank across most datasets.

Continual learning aims to equip models with the ability to retain previously learned knowledge like a human. Recent work incorporating Parameter-Efficient Fine-Tuning has revitalized the field by introducing lightweight extension modules. However, existing methods usually overlook the issue of information leakage caused by the fact that the experiment data have been used in pre-trained models. Once these duplicate data are removed in the pre-training phase, their performance can be severely affected. In this paper, we propose a new LoRA-based rehearsal-free method named DESIRE. Our method avoids imposing additional constraints during training to mitigate catastrophic forgetting, thereby maximizing the learning of new classes. To integrate knowledge from old and new tasks, we propose two efficient post-processing modules. On the one hand, we retain only two sets of LoRA parameters for merging and propose dynamic representation consolidation to calibrate the merged feature representation. On the other hand, we propose decision boundary refinement to address classifier bias when training solely on new class data. Extensive experiments demonstrate that our method achieves state-of-the-art performance on multiple datasets and strikes an effective balance between stability and plasticity. Our code will be publicly available.

Attention layers -- which map a sequence of inputs to a sequence of outputs -- are core building blocks of the Transformer architecture which has achieved significant breakthroughs in modern artificial intelligence. This paper presents a rigorous theoretical study on the learning and generalization of a single multi-head attention layer, with a sequence of key vectors and a separate query vector as input. We consider the random feature setting where the attention layer has a large number of heads, with randomly sampled frozen query and key matrices, and trainable value matrices. We show that such a random-feature attention layer can express a broad class of target functions that are permutation invariant to the key vectors. We further provide quantitative excess risk bounds for learning these target functions from finite samples, using random feature attention with finitely many heads. Our results feature several implications unique to the attention structure compared with existing random features theory for neural networks, such as (1) Advantages in the sample complexity over standard two-layer random-feature networks; (2) Concrete and natural classes of functions that can be learned efficiently by a random-feature attention layer; and (3) The effect of the sampling distribution of the query-key weight matrix (the product of the query and key matrix), where Gaussian random weights with a non-zero mean result in better sample complexities over the zero-mean counterpart for learning certain natural target functions. Experiments on simulated data corroborate our theoretical findings and further illustrate the interplay between the sample size and the complexity of the target function.

Tabular data underpins decisions across science, industry, and public services. Despite rapid progress, advances in deep learning have not fully carried over to the tabular domain, where gradient-boosted decision trees (GBDTs) remain a default choice in practice. We present iLTM, an integrated Large Tabular Model that unifies tree-derived embeddings, dimensionality-agnostic representations, a meta-trained hypernetwork, multilayer perceptrons (MLPs), and retrieval within a single architecture. Pretrained on more than 1,800 heterogeneous classification datasets, iLTM achieves consistently superior performance across tabular classification and regression tasks, from small datasets to large and high-dimensional tasks. After light fine-tuning, the meta-trained hypernetwork transfers to regression targets, matching or surpassing strong baselines. Extensive experiments show that iLTM outperforms well-tuned GBDTs and leading deep tabular models while requiring less task-specific tuning. By bridging the gap between tree-based and neural methods, iLTM offers a new framework for tabular foundation models for robust, adaptable, and scalable tabular learning.

Backpropagation, which uses the chain rule, is the de-facto standard algorithm for optimizing neural networks nowadays. Recently, Hinton (2022) proposed the forward-forward algorithm, a promising alternative that optimizes neural nets layer-by-layer, without propagating gradients throughout the network. Although such an approach has several advantages over back-propagation and shows promising results, the fact that each layer is being trained independently limits the optimization process. Specifically, it prevents the network's layers from collaborating to learn complex and rich features. In this work, we study layer collaboration in the forward-forward algorithm. We show that the current version of the forward-forward algorithm is suboptimal when considering information flow in the network, resulting in a lack of collaboration between layers of the network. We propose an improved version that supports layer collaboration to better utilize the network structure, while not requiring any additional assumptions or computations. We empirically demonstrate the efficacy of the proposed version when considering both information flow and objective metrics. Additionally, we provide a theoretical motivation for the proposed method, inspired by functional entropy theory.

We propose MUltiway Dynamic Dense (MUDD) connections, a simple yet effective method to address the limitations of residual connections and enhance cross-layer information flow in Transformers. Unlike existing dense connection approaches with static and shared connection weights, MUDD generates connection weights dynamically depending on hidden states at each sequence position and for each decoupled input stream (the query, key, value or residual) of a Transformer block. MUDD connections can be seamlessly integrated into any Transformer architecture to create MUDDFormer. Extensive experiments show that MUDDFormer significantly outperforms Transformers across various model architectures and scales in language modeling, achieving the performance of Transformers trained with 1.8X-2.4X compute. Notably, MUDDPythia-2.8B matches Pythia-6.9B in pretraining ppl and downstream tasks and even rivals Pythia-12B in five-shot settings, while adding only 0.23% parameters and 0.4% computation. Code in JAX and PyTorch and pre-trained models are available at https://github.com/Caiyun-AI/MUDDFormer .

Trainable layers such as convolutional building blocks are the standard network design choices by learning parameters to capture the global context through successive spatial operations. When designing an efficient network, trainable layers such as the depthwise convolution is the source of efficiency in the number of parameters and FLOPs, but there was little improvement to the model speed in practice. This paper argues that simple built-in parameter-free operations can be a favorable alternative to the efficient trainable layers replacing spatial operations in a network architecture. We aim to break the stereotype of organizing the spatial operations of building blocks into trainable layers. Extensive experimental analyses based on layer-level studies with fully-trained models and neural architecture searches are provided to investigate whether parameter-free operations such as the max-pool are functional. The studies eventually give us a simple yet effective idea for redesigning network architectures, where the parameter-free operations are heavily used as the main building block without sacrificing the model accuracy as much. Experimental results on the ImageNet dataset demonstrate that the network architectures with parameter-free operations could enjoy the advantages of further efficiency in terms of model speed, the number of the parameters, and FLOPs. Code and ImageNet pretrained models are available at https://github.com/naver-ai/PfLayer.

A biological neural network in the cortex forms a neural field. Neurons in the field have their own receptive fields, and connection weights between two neurons are random but highly correlated when they are in close proximity in receptive fields. In this paper, we investigate such neural fields in a multilayer architecture to investigate the supervised learning of the fields. We empirically compare the performances of our field model with those of randomly connected deep networks. The behavior of a randomly connected network is investigated on the basis of the key idea of the neural tangent kernel regime, a recent development in the machine learning theory of over-parameterized networks; for most randomly connected neural networks, it is shown that global minima always exist in their small neighborhoods. We numerically show that this claim also holds for our neural fields. In more detail, our model has two structures: i) each neuron in a field has a continuously distributed receptive field, and ii) the initial connection weights are random but not independent, having correlations when the positions of neurons are close in each layer. We show that such a multilayer neural field is more robust than conventional models when input patterns are deformed by noise disturbances. Moreover, its generalization ability can be slightly superior to that of conventional models.

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).

Recent advances in wearable devices and Internet-of-Things (IoT) have led to massive growth in sensor data generated in edge devices. Labeling such massive data for classification tasks has proven to be challenging. In addition, data generated by different users bear various personal attributes and edge heterogeneity, rendering it impractical to develop a global model that adapts well to all users. Concerns over data privacy and communication costs also prohibit centralized data accumulation and training. We propose SemiPFL that supports edge users having no label or limited labeled datasets and a sizable amount of unlabeled data that is insufficient to train a well-performing model. In this work, edge users collaborate to train a Hyper-network in the server, generating personalized autoencoders for each user. After receiving updates from edge users, the server produces a set of base models for each user, which the users locally aggregate them using their own labeled dataset. We comprehensively evaluate our proposed framework on various public datasets from a wide range of application scenarios, from wearable health to IoT, and demonstrate that SemiPFL outperforms state-of-art federated learning frameworks under the same assumptions regarding user performance, network footprint, and computational consumption. We also show that the solution performs well for users without label or having limited labeled datasets and increasing performance for increased labeled data and number of users, signifying the effectiveness of SemiPFL for handling data heterogeneity and limited annotation. We also demonstrate the stability of SemiPFL for handling user hardware resource heterogeneity in three real-time scenarios.

Through the success of deep learning in various domains, artificial neural networks are currently among the most used artificial intelligence methods. Taking inspiration from the network properties of biological neural networks (e.g. sparsity, scale-freeness), we argue that (contrary to general practice) artificial neural networks, too, should not have fully-connected layers. Here we propose sparse evolutionary training of artificial neural networks, an algorithm which evolves an initial sparse topology (Erdos-R\'enyi random graph) of two consecutive layers of neurons into a scale-free topology, during learning. Our method replaces artificial neural networks fully-connected layers with sparse ones before training, reducing quadratically the number of parameters, with no decrease in accuracy. We demonstrate our claims on restricted Boltzmann machines, multi-layer perceptrons, and convolutional neural networks for unsupervised and supervised learning on 15 datasets. Our approach has the potential to enable artificial neural networks to scale up beyond what is currently possible.

Salient segmentation aims to segment out attention-grabbing regions, a critical yet challenging task and the foundation of many high-level computer vision applications. It requires semantic-aware grouping of pixels into salient regions and benefits from the utilization of global multi-scale contexts to achieve good local reasoning. Previous works often address it as two-class segmentation problems utilizing complicated multi-step procedures including refinement networks and complex graphical models. We argue that semantic salient segmentation can instead be effectively resolved by reformulating it as a simple yet intuitive pixel-pair based connectivity prediction task. Following the intuition that salient objects can be naturally grouped via semantic-aware connectivity between neighboring pixels, we propose a pure Connectivity Net (ConnNet). ConnNet predicts connectivity probabilities of each pixel with its neighboring pixels by leveraging multi-level cascade contexts embedded in the image and long-range pixel relations. We investigate our approach on two tasks, namely salient object segmentation and salient instance-level segmentation, and illustrate that consistent improvements can be obtained by modeling these tasks as connectivity instead of binary segmentation tasks for a variety of network architectures. We achieve state-of-the-art performance, outperforming or being comparable to existing approaches while reducing inference time due to our less complex approach.

Production deployments in complex systems require ML architectures to be highly efficient and usable against multiple tasks. Particularly demanding are classification problems in which data arrives in a streaming fashion and each class is presented separately. Recent methods with stochastic gradient learning have been shown to struggle in such setups or have limitations like memory buffers, and being restricted to specific domains that disable its usage in real-world scenarios. For this reason, we present a fully differentiable architecture based on the Mixture of Experts model, that enables the training of high-performance classifiers when examples from each class are presented separately. We conducted exhaustive experiments that proved its applicability in various domains and ability to learn online in production environments. The proposed technique achieves SOTA results without a memory buffer and clearly outperforms the reference methods.

We present hyper-connections, a simple yet effective method that can serve as an alternative to residual connections. This approach specifically addresses common drawbacks observed in residual connection variants, such as the seesaw effect between gradient vanishing and representation collapse. Theoretically, hyper-connections allow the network to adjust the strength of connections between features at different depths and dynamically rearrange layers. We conduct experiments focusing on the pre-training of large language models, including dense and sparse models, where hyper-connections show significant performance improvements over residual connections. Additional experiments conducted on vision tasks also demonstrate similar improvements. We anticipate that this method will be broadly applicable and beneficial across a wide range of AI problems.

Convolutional networks are powerful visual models that yield hierarchies of features. We show that convolutional networks by themselves, trained end-to-end, pixels-to-pixels, exceed the state-of-the-art in semantic segmentation. Our key insight is to build "fully convolutional" networks that take input of arbitrary size and produce correspondingly-sized output with efficient inference and learning. We define and detail the space of fully convolutional networks, explain their application to spatially dense prediction tasks, and draw connections to prior models. We adapt contemporary classification networks (AlexNet, the VGG net, and GoogLeNet) into fully convolutional networks and transfer their learned representations by fine-tuning to the segmentation task. We then define a novel architecture that combines semantic information from a deep, coarse layer with appearance information from a shallow, fine layer to produce accurate and detailed segmentations. Our fully convolutional network achieves state-of-the-art segmentation of PASCAL VOC (20% relative improvement to 62.2% mean IU on 2012), NYUDv2, and SIFT Flow, while inference takes one third of a second for a typical image.

The convolution layer has been the dominant feature extractor in computer vision for years. However, the spatial aggregation in convolution is basically a pattern matching process that applies fixed filters which are inefficient at modeling visual elements with varying spatial distributions. This paper presents a new image feature extractor, called the local relation layer, that adaptively determines aggregation weights based on the compositional relationship of local pixel pairs. With this relational approach, it can composite visual elements into higher-level entities in a more efficient manner that benefits semantic inference. A network built with local relation layers, called the Local Relation Network (LR-Net), is found to provide greater modeling capacity than its counterpart built with regular convolution on large-scale recognition tasks such as ImageNet classification.

We introduce a new function-preserving transformation for efficient neural architecture search. This network transformation allows reusing previously trained networks and existing successful architectures that improves sample efficiency. We aim to address the limitation of current network transformation operations that can only perform layer-level architecture modifications, such as adding (pruning) filters or inserting (removing) a layer, which fails to change the topology of connection paths. Our proposed path-level transformation operations enable the meta-controller to modify the path topology of the given network while keeping the merits of reusing weights, and thus allow efficiently designing effective structures with complex path topologies like Inception models. We further propose a bidirectional tree-structured reinforcement learning meta-controller to explore a simple yet highly expressive tree-structured architecture space that can be viewed as a generalization of multi-branch architectures. We experimented on the image classification datasets with limited computational resources (about 200 GPU-hours), where we observed improved parameter efficiency and better test results (97.70% test accuracy on CIFAR-10 with 14.3M parameters and 74.6% top-1 accuracy on ImageNet in the mobile setting), demonstrating the effectiveness and transferability of our designed architectures.

We propose a simple but strong baseline for time series classification from scratch with deep neural networks. Our proposed baseline models are pure end-to-end without any heavy preprocessing on the raw data or feature crafting. The proposed Fully Convolutional Network (FCN) achieves premium performance to other state-of-the-art approaches and our exploration of the very deep neural networks with the ResNet structure is also competitive. The global average pooling in our convolutional model enables the exploitation of the Class Activation Map (CAM) to find out the contributing region in the raw data for the specific labels. Our models provides a simple choice for the real world application and a good starting point for the future research. An overall analysis is provided to discuss the generalization capability of our models, learned features, network structures and the classification semantics.

Probabilistic graphical models are traditionally known for their successes in generative modeling. In this work, we advocate layered graphical models (LGMs) for probabilistic discriminative learning. To this end, we design LGMs in close analogy to neural networks (NNs), that is, they have deep hierarchical structures and convolutional or local connections between layers. Equipped with tensorized truncated variational inference, our LGMs can be efficiently trained via backpropagation on mainstream deep learning frameworks such as PyTorch. To deal with continuous valued inputs, we use a simple yet effective soft-clamping strategy for efficient inference. Through extensive experiments on image classification over MNIST and FashionMNIST datasets, we demonstrate that LGMs are capable of achieving competitive results comparable to NNs of similar architectures, while preserving transparent probabilistic modeling.

Language Models (LMs) are increasingly challenging the dominance of domain-specific models, including Graph Neural Networks (GNNs) and Graph Transformers (GTs), in graph learning tasks. Following this trend, we propose a novel approach that empowers off-the-shelf LMs to achieve performance comparable to state-of-the-art GNNs on node classification tasks, without requiring any architectural modification. By preserving the LM's original architecture, our approach retains a key benefit of LM instruction tuning: the ability to jointly train on diverse datasets, fostering greater flexibility and efficiency. To achieve this, we introduce two key augmentation strategies: (1) Enriching LMs' input using topological and semantic retrieval methods, which provide richer contextual information, and (2) guiding the LMs' classification process through a lightweight GNN classifier that effectively prunes class candidates. Our experiments on real-world datasets show that backbone Flan-T5 models equipped with these augmentation strategies outperform state-of-the-art text-output node classifiers and are comparable to top-performing vector-output node classifiers. By bridging the gap between specialized task-specific node classifiers and general LMs, this work paves the way for more versatile and widely applicable graph learning models. We will open-source the code upon publication.

Recent advances in deep learning, exemplified by Hyper-Connections (HC), have expanded the residual connection paradigm by introducing wider residual streams and diverse connectivity patterns. While these innovations yield significant performance gains, they compromise the identity mapping property of residual connections, leading to training instability, limited scalability, and increased memory overhead. To address these challenges, we propose JPmHC (Jacobian-spectrum Preserving manifold-constrained Hyper-Connections), a framework that replaces identity skips with a trainable linear mixer acting on n parallel streams while explicitly controlling gradient conditioning. By constraining the mixer M on operator-norm-bounded manifolds (e.g., bistochastic, Stiefel, Grassmann), JPmHC prevents gradient pathologies and enhances stability. JPmHC introduces three key contributions: (i) a free-probability analysis that predicts Jacobian spectra for structured skips, providing actionable design rules for mixer selection; (ii) memory-efficient implicit differentiation for fixed-point projections, reducing activation memory and synchronization overhead; and (iii) a Stiefel-constrained mixer via Cayley transforms, ensuring orthogonality without post-hoc normalization. Empirical evaluations on ARC-AGI demonstrate that JPmHC achieves faster convergence, higher accuracy, and lower computational cost compared to bistochastic baselines, with a rank-p Grassmannian variant tracking between the two -- consistent with the spectral theory predictions. As a flexible and scalable extension of HC, JPmHC advances spectrum-aware, stable, and efficient deep learning, offering insights into topological architecture design and foundational model evolution. \newline \newline

The continually increasing number of documents produced each year necessitates ever improving information processing methods for searching, retrieving, and organizing text. Central to these information processing methods is document classification, which has become an important application for supervised learning. Recently the performance of these traditional classifiers has degraded as the number of documents has increased. This is because along with this growth in the number of documents has come an increase in the number of categories. This paper approaches this problem differently from current document classification methods that view the problem as multi-class classification. Instead we perform hierarchical classification using an approach we call Hierarchical Deep Learning for Text classification (HDLTex). HDLTex employs stacks of deep learning architectures to provide specialized understanding at each level of the document hierarchy.

Encrypted traffic classification (TC) methods must adapt to new protocols and extensions as well as to advancements in other machine learning fields. In this paper, we follow a transfer learning setup best known from computer vision. We first pretrain an embedding model on a complex task with a large number of classes and then transfer it to five well-known TC datasets. The pretraining task is recognition of SNI domains in encrypted QUIC traffic, which in itself is a problem for network monitoring due to the growing adoption of TLS Encrypted Client Hello. Our training pipeline -- featuring a disjoint class setup, ArcFace loss function, and a modern deep learning architecture -- aims to produce universal embeddings applicable across tasks. The proposed solution, based on nearest neighbors search in the embedding space, surpasses SOTA performance on four of the five TC datasets. A comparison with a baseline method utilizing raw packet sequences revealed unexpected findings with potential implications for the broader TC field. We published the model architecture, trained weights, and transfer learning experiments.

Feature pyramids are a basic component in recognition systems for detecting objects at different scales. But recent deep learning object detectors have avoided pyramid representations, in part because they are compute and memory intensive. In this paper, we exploit the inherent multi-scale, pyramidal hierarchy of deep convolutional networks to construct feature pyramids with marginal extra cost. A top-down architecture with lateral connections is developed for building high-level semantic feature maps at all scales. This architecture, called a Feature Pyramid Network (FPN), shows significant improvement as a generic feature extractor in several applications. Using FPN in a basic Faster R-CNN system, our method achieves state-of-the-art single-model results on the COCO detection benchmark without bells and whistles, surpassing all existing single-model entries including those from the COCO 2016 challenge winners. In addition, our method can run at 5 FPS on a GPU and thus is a practical and accurate solution to multi-scale object detection. Code will be made publicly available.

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.

We consider supervised learning with n labels and show that layerwise SGD on residual networks can efficiently learn a class of hierarchical models. This model class assumes the existence of an (unknown) label hierarchy L_1 subseteq L_2 subseteq dots subseteq L_r = [n], where labels in L_1 are simple functions of the input, while for i > 1, labels in L_i are simple functions of simpler labels. Our class surpasses models that were previously shown to be learnable by deep learning algorithms, in the sense that it reaches the depth limit of efficient learnability. That is, there are models in this class that require polynomial depth to express, whereas previous models can be computed by log-depth circuits. Furthermore, we suggest that learnability of such hierarchical models might eventually form a basis for understanding deep learning. Beyond their natural fit for domains where deep learning excels, we argue that the mere existence of human ``teachers" supports the hypothesis that hierarchical structures are inherently available. By providing granular labels, teachers effectively reveal ``hints'' or ``snippets'' of the internal algorithms used by the brain. We formalize this intuition, showing that in a simplified model where a teacher is partially aware of their internal logic, a hierarchical structure emerges that facilitates efficient learnability.

Large Convolutional Network models have recently demonstrated impressive classification performance on the ImageNet benchmark. However there is no clear understanding of why they perform so well, or how they might be improved. In this paper we address both issues. We introduce a novel visualization technique that gives insight into the function of intermediate feature layers and the operation of the classifier. We also perform an ablation study to discover the performance contribution from different model layers. This enables us to find model architectures that outperform Krizhevsky \etal on the ImageNet classification benchmark. We show our ImageNet model generalizes well to other datasets: when the softmax classifier is retrained, it convincingly beats the current state-of-the-art results on Caltech-101 and Caltech-256 datasets.

Distilling pretrained softmax attention Transformers into more efficient hybrid architectures that interleave softmax and linear attention layers is a promising approach for improving the inference efficiency of LLMs without requiring expensive pretraining from scratch. A critical factor in the conversion process is layer selection, i.e., deciding on which layers to convert to linear attention variants. This paper describes a simple and efficient recipe for layer selection that uses layer importance scores derived from a small amount of training on generic text data. Once the layers have been selected we use a recent pipeline for the distillation process itself \citep[RADLADS;][]{goldstein2025radlads}, which consists of attention weight transfer, hidden state alignment, KL-based distribution matching, followed by a small amount of finetuning. We find that this approach is more effective than existing approaches for layer selection, including heuristics that uniformly interleave linear attentions based on a fixed ratio, as well as more involved approaches that rely on specialized diagnostic datasets.

We introduce a novel architecture design that enhances expressiveness by incorporating multiple head classifiers (\ie, classification heads) instead of relying on channel expansion or additional building blocks. Our approach employs attention-based aggregation, utilizing pairwise feature similarity to enhance multiple lightweight heads with minimal resource overhead. We compute the Gramian matrices to reinforce class tokens in an attention layer for each head. This enables the heads to learn more discriminative representations, enhancing their aggregation capabilities. Furthermore, we propose a learning algorithm that encourages heads to complement each other by reducing correlation for aggregation. Our models eventually surpass state-of-the-art CNNs and ViTs regarding the accuracy-throughput trade-off on ImageNet-1K and deliver remarkable performance across various downstream tasks, such as COCO object instance segmentation, ADE20k semantic segmentation, and fine-grained visual classification datasets. The effectiveness of our framework is substantiated by practical experimental results and further underpinned by generalization error bound. We release the code publicly at: https://github.com/Lab-LVM/imagenet-models.

We present an end-to-end deep learning segmentation method by combining a 3D UNet architecture with a graph neural network (GNN) model. In this approach, the convolutional layers at the deepest level of the UNet are replaced by a GNN-based module with a series of graph convolutions. The dense feature maps at this level are transformed into a graph input to the GNN module. The incorporation of graph convolutions in the UNet provides nodes in the graph with information that is based on node connectivity, in addition to the local features learnt through the downsampled paths. This information can help improve segmentation decisions. By stacking several graph convolution layers, the nodes can access higher order neighbourhood information without substantial increase in computational expense. We propose two types of node connectivity in the graph adjacency: i) one predefined and based on a regular node neighbourhood, and ii) one dynamically computed during training and using the nearest neighbour nodes in the feature space. We have applied this method to the task of segmenting the airway tree from chest CT scans. Experiments have been performed on 32 CTs from the Danish Lung Cancer Screening Trial dataset. We evaluate the performance of the UNet-GNN models with two types of graph adjacency and compare it with the baseline UNet.

We analyze the layerwise effective dimension (rank of the feature matrix) in fully-connected ReLU networks of finite width. Specifically, for a fixed batch of m inputs and random Gaussian weights, we derive closed-form expressions for the expected rank of the \mtimes n hidden activation matrices. Our main result shows that E[EDim(ell)]=m[1-(1-2/pi)^ell]+O(e^{-c m}) so that the rank deficit decays geometrically with ratio 1-2 / pi approx 0.3634. We also prove a sub-Gaussian concentration bound, and identify the "revival" depths at which the expected rank attains local maxima. In particular, these peaks occur at depths ell_k^*approx(k+1/2)pi/log(1/rho) with height approx (1-e^{-pi/2}) m approx 0.79m. We further show that this oscillatory rank behavior is a finite-width phenomenon: under orthogonal weight initialization or strong negative-slope leaky-ReLU, the rank remains (nearly) full. These results provide a precise characterization of how random ReLU layers alternately collapse and partially revive the subspace of input variations, adding nuance to prior work on expressivity of deep networks.

Neural networks have achieved tremendous success in a large variety of applications. However, their memory footprint and computational demand can render them impractical in application settings with limited hardware or energy resources. In this work, we propose a novel algorithm to find efficient low-rank subnetworks. Remarkably, these subnetworks are determined and adapted already during the training phase and the overall time and memory resources required by both training and evaluating them are significantly reduced. The main idea is to restrict the weight matrices to a low-rank manifold and to update the low-rank factors rather than the full matrix during training. To derive training updates that are restricted to the prescribed manifold, we employ techniques from dynamic model order reduction for matrix differential equations. This allows us to provide approximation, stability, and descent guarantees. Moreover, our method automatically and dynamically adapts the ranks during training to achieve the desired approximation accuracy. The efficiency of the proposed method is demonstrated through a variety of numerical experiments on fully-connected and convolutional networks.

Modern deep neural networks (DNNs) represent a formidable challenge for theorists: according to the commonly accepted probabilistic framework that describes their performance, these architectures should overfit due to the huge number of parameters to train, but in practice they do not. Here we employ results from replica mean field theory to compute the generalisation gap of machine learning models with quenched features, in the teacher-student scenario and for regression problems with quadratic loss function. Notably, this framework includes the case of DNNs where the last layer is optimised given a specific realisation of the remaining weights. We show how these results -- combined with ideas from statistical learning theory -- provide a stringent asymptotic upper bound on the generalisation gap of fully trained DNN as a function of the size of the dataset P. In particular, in the limit of large P and N_{out} (where N_out is the size of the last layer) and N_out ll P, the generalisation gap approaches zero faster than 2 N_out/P, for any choice of both architecture and teacher function. Notably, this result greatly improves existing bounds from statistical learning theory. We test our predictions on a broad range of architectures, from toy fully-connected neural networks with few hidden layers to state-of-the-art deep convolutional neural networks.

We empirically study a simple layer-pruning strategy for popular families of open-weight pretrained LLMs, finding minimal degradation of performance on different question-answering benchmarks until after a large fraction (up to half) of the layers are removed. To prune these models, we identify the optimal block of layers to prune by considering similarity across layers; then, to "heal" the damage, we perform a small amount of finetuning. In particular, we use parameter-efficient finetuning (PEFT) methods, specifically quantization and Low Rank Adapters (QLoRA), such that each of our experiments can be performed on a single A100 GPU. From a practical perspective, these results suggest that layer pruning methods can complement other PEFT strategies to further reduce computational resources of finetuning on the one hand, and can improve the memory and latency of inference on the other hand. From a scientific perspective, the robustness of these LLMs to the deletion of layers implies either that current pretraining methods are not properly leveraging the parameters in the deeper layers of the network or that the shallow layers play a critical role in storing knowledge.

Deep neural networks have recently been shown to achieve highly competitive performance in many computer vision tasks due to their abilities of exploring in a much larger hypothesis space. However, since most deep architectures like stacked RNNs tend to suffer from the vanishing-gradient and overfitting problems, their effects are still understudied in many NLP tasks. Inspired by this, we propose a novel multi-layer RNN model called densely connected bidirectional long short-term memory (DC-Bi-LSTM) in this paper, which essentially represents each layer by the concatenation of its hidden state and all preceding layers' hidden states, followed by recursively passing each layer's representation to all subsequent layers. We evaluate our proposed model on five benchmark datasets of sentence classification. DC-Bi-LSTM with depth up to 20 can be successfully trained and obtain significant improvements over the traditional Bi-LSTM with the same or even less parameters. Moreover, our model has promising performance compared with the state-of-the-art approaches.

Graph-structured knowledge systems -- from knowledge graphs to GraphRAG pipelines -- organize information into hierarchical communities, yet lack a principled mechanism for continuous resolution control: where do the qualitative boundaries between abstraction levels lie, and how should an agent navigate them? Current approaches rely on discrete community detection with manually tuned resolution parameters (e.g., Leiden γ), offering no continuous zoom and no formal guarantees. We introduce Semantic Level of Detail (SLoD), a framework that addresses both problems by defining a continuous zoom operator via heat kernel diffusion on a graph Laplacian whose kNN structure is induced by a Poincare-ball embedding. We prove hierarchical coherence in the tree limit (exact tree with Sarkar embedding), with bounded approximation error, and demonstrate consistent boundary-detection behaviour on noisy hierarchies; spectral gaps in the graph Laplacian then induce emergent scale boundaries -- scales where the representation undergoes qualitative transitions -- detectable without manual resolution tuning. On synthetic hierarchies (HSBM, 1024 nodes), spectral clustering at the BoundaryScan-detected scale recovers planted levels, with macro ARI saturating at 1.00 in the high-SNR regime (50-seed median) and meso ARI reaching 0.89 [0.86, 0.92] at r=200. On the full WordNet noun hierarchy (82K synsets), using 100 stratified leaf queries, detected boundaries align with true taxonomic depth (τ= 0.79), demonstrating meaningful abstraction-level discovery in real-world knowledge graphs without resolution-parameter tuning. The composite weights, MAD threshold, and kNN-parameter rule (k = max(10, min(lfloorNrfloor, 50))) use defaults that transferred unchanged between HSBM and WordNet; their behaviour on graphs with implicit or qualitatively different hierarchical structure is open.

Federated learning is an active research topic since it enables several participants to jointly train a model without sharing local data. Currently, cross-silo federated learning is a popular training setting that utilizes a few hundred reliable data silos with high-speed access links to training a model. While this approach has been widely applied in real-world scenarios, designing a robust topology to reduce the training time remains an open problem. In this paper, we present a new multigraph topology for cross-silo federated learning. We first construct the multigraph using the overlay graph. We then parse this multigraph into different simple graphs with isolated nodes. The existence of isolated nodes allows us to perform model aggregation without waiting for other nodes, hence effectively reducing the training time. Intensive experiments on three public datasets show that our proposed method significantly reduces the training time compared with recent state-of-the-art topologies while maintaining the accuracy of the learned model. Our code can be found at https://github.com/aioz-ai/MultigraphFL

Network pruning reduces the computation costs of an over-parameterized network without performance damage. Prevailing pruning algorithms pre-define the width and depth of the pruned networks, and then transfer parameters from the unpruned network to pruned networks. To break the structure limitation of the pruned networks, we propose to apply neural architecture search to search directly for a network with flexible channel and layer sizes. The number of the channels/layers is learned by minimizing the loss of the pruned networks. The feature map of the pruned network is an aggregation of K feature map fragments (generated by K networks of different sizes), which are sampled based on the probability distribution.The loss can be back-propagated not only to the network weights, but also to the parameterized distribution to explicitly tune the size of the channels/layers. Specifically, we apply channel-wise interpolation to keep the feature map with different channel sizes aligned in the aggregation procedure. The maximum probability for the size in each distribution serves as the width and depth of the pruned network, whose parameters are learned by knowledge transfer, e.g., knowledge distillation, from the original networks. Experiments on CIFAR-10, CIFAR-100 and ImageNet demonstrate the effectiveness of our new perspective of network pruning compared to traditional network pruning algorithms. Various searching and knowledge transfer approaches are conducted to show the effectiveness of the two components. Code is at: https://github.com/D-X-Y/NAS-Projects.

One of the core pillars of efficient deep learning methods is architectural improvements such as the residual/skip connection, which has led to significantly better model convergence and quality. Since then the residual connection has become ubiquitous in not just convolutional neural networks but also transformer-based architectures, the backbone of LLMs. In this paper we introduce Learned Augmented Residual Layer (LAuReL) -- a novel generalization of the canonical residual connection -- with the goal to be an in-situ replacement of the latter while outperforming on both model quality and footprint metrics. Our experiments show that using \laurel can help boost performance for both vision and language models. For example, on the ResNet-50, ImageNet 1K task, it achieves 60% of the gains from adding an extra layer, while only adding 0.003% more parameters, and matches it while adding 2.6times fewer parameters.

Transferring knowledge from a teacher neural network pretrained on the same or a similar task to a student neural network can significantly improve the performance of the student neural network. Existing knowledge transfer approaches match the activations or the corresponding hand-crafted features of the teacher and the student networks. We propose an information-theoretic framework for knowledge transfer which formulates knowledge transfer as maximizing the mutual information between the teacher and the student networks. We compare our method with existing knowledge transfer methods on both knowledge distillation and transfer learning tasks and show that our method consistently outperforms existing methods. We further demonstrate the strength of our method on knowledge transfer across heterogeneous network architectures by transferring knowledge from a convolutional neural network (CNN) to a multi-layer perceptron (MLP) on CIFAR-10. The resulting MLP significantly outperforms the-state-of-the-art methods and it achieves similar performance to the CNN with a single convolutional layer.

Prediction tasks over nodes and edges in networks require careful effort in engineering features used by learning algorithms. Recent research in the broader field of representation learning has led to significant progress in automating prediction by learning the features themselves. However, present feature learning approaches are not expressive enough to capture the diversity of connectivity patterns observed in networks. Here we propose node2vec, an algorithmic framework for learning continuous feature representations for nodes in networks. In node2vec, we learn a mapping of nodes to a low-dimensional space of features that maximizes the likelihood of preserving network neighborhoods of nodes. We define a flexible notion of a node's network neighborhood and design a biased random walk procedure, which efficiently explores diverse neighborhoods. Our algorithm generalizes prior work which is based on rigid notions of network neighborhoods, and we argue that the added flexibility in exploring neighborhoods is the key to learning richer representations. We demonstrate the efficacy of node2vec over existing state-of-the-art techniques on multi-label classification and link prediction in several real-world networks from diverse domains. Taken together, our work represents a new way for efficiently learning state-of-the-art task-independent representations in complex networks.

Graph Convolutional Networks (GCNs) and their variants have experienced significant attention and have become the de facto methods for learning graph representations. GCNs derive inspiration primarily from recent deep learning approaches, and as a result, may inherit unnecessary complexity and redundant computation. In this paper, we reduce this excess complexity through successively removing nonlinearities and collapsing weight matrices between consecutive layers. We theoretically analyze the resulting linear model and show that it corresponds to a fixed low-pass filter followed by a linear classifier. Notably, our experimental evaluation demonstrates that these simplifications do not negatively impact accuracy in many downstream applications. Moreover, the resulting model scales to larger datasets, is naturally interpretable, and yields up to two orders of magnitude speedup over FastGCN.

Convolutional networks are powerful visual models that yield hierarchies of features. We show that convolutional networks by themselves, trained end-to-end, pixels-to-pixels, improve on the previous best result in semantic segmentation. Our key insight is to build "fully convolutional" networks that take input of arbitrary size and produce correspondingly-sized output with efficient inference and learning. We define and detail the space of fully convolutional networks, explain their application to spatially dense prediction tasks, and draw connections to prior models. We adapt contemporary classification networks (AlexNet, the VGG net, and GoogLeNet) into fully convolutional networks and transfer their learned representations by fine-tuning to the segmentation task. We then define a skip architecture that combines semantic information from a deep, coarse layer with appearance information from a shallow, fine layer to produce accurate and detailed segmentations. Our fully convolutional network achieves improved segmentation of PASCAL VOC (30% relative improvement to 67.2% mean IU on 2012), NYUDv2, SIFT Flow, and PASCAL-Context, while inference takes one tenth of a second for a typical image.

This manuscript considers the problem of learning a random Gaussian network function using a fully connected network with frozen intermediate layers and trainable readout layer. This problem can be seen as a natural generalization of the widely studied random features model to deeper architectures. First, we prove Gaussian universality of the test error in a ridge regression setting where the learner and target networks share the same intermediate layers, and provide a sharp asymptotic formula for it. Establishing this result requires proving a deterministic equivalent for traces of the deep random features sample covariance matrices which can be of independent interest. Second, we conjecture the asymptotic Gaussian universality of the test error in the more general setting of arbitrary convex losses and generic learner/target architectures. We provide extensive numerical evidence for this conjecture, which requires the derivation of closed-form expressions for the layer-wise post-activation population covariances. In light of our results, we investigate the interplay between architecture design and implicit regularization.

The success of deep learning is due in large part to our ability to solve certain massive non-convex optimization problems with relative ease. Though non-convex optimization is NP-hard, simple algorithms -- often variants of stochastic gradient descent -- exhibit surprising effectiveness in fitting large neural networks in practice. We argue that neural network loss landscapes often contain (nearly) a single basin after accounting for all possible permutation symmetries of hidden units a la Entezari et al. 2021. We introduce three algorithms to permute the units of one model to bring them into alignment with a reference model in order to merge the two models in weight space. This transformation produces a functionally equivalent set of weights that lie in an approximately convex basin near the reference model. Experimentally, we demonstrate the single basin phenomenon across a variety of model architectures and datasets, including the first (to our knowledge) demonstration of zero-barrier linear mode connectivity between independently trained ResNet models on CIFAR-10. Additionally, we identify intriguing phenomena relating model width and training time to mode connectivity. Finally, we discuss shortcomings of the linear mode connectivity hypothesis, including a counterexample to the single basin theory.

Graph Neural Networks (GNNs) have demonstrated remarkable success in various domains such as social networks, molecular chemistry, and more. A crucial component of GNNs is the pooling procedure, in which the node features calculated by the model are combined to form an informative final descriptor to be used for the downstream task. However, previous graph pooling schemes rely on the last GNN layer features as an input to the pooling or classifier layers, potentially under-utilizing important activations of previous layers produced during the forward pass of the model, which we regard as historical graph activations. This gap is particularly pronounced in cases where a node's representation can shift significantly over the course of many graph neural layers, and worsened by graph-specific challenges such as over-smoothing in deep architectures. To bridge this gap, we introduce HISTOGRAPH, a novel two-stage attention-based final aggregation layer that first applies a unified layer-wise attention over intermediate activations, followed by node-wise attention. By modeling the evolution of node representations across layers, our HISTOGRAPH leverages both the activation history of nodes and the graph structure to refine features used for final prediction. Empirical results on multiple graph classification benchmarks demonstrate that HISTOGRAPH offers strong performance that consistently improves traditional techniques, with particularly strong robustness in deep GNNs.

In recent years, Graph Neural Networks (GNNs) have made significant advances in processing structured data. However, most of them primarily adopted a model-centric approach, which simplifies graphs by converting them into undirected formats and emphasizes model designs. This approach is inherently limited in real-world applications due to the unavoidable information loss in simple undirected graphs and the model optimization challenges that arise when exceeding the upper bounds of this sub-optimal data representational capacity. As a result, there has been a shift toward data-centric methods that prioritize improving graph quality and representation. Specifically, various types of graphs can be derived from naturally structured data, including heterogeneous graphs, hypergraphs, and directed graphs. Among these, directed graphs offer distinct advantages in topological systems by modeling causal relationships, and directed GNNs have been extensively studied in recent years. However, a comprehensive survey of this emerging topic is still lacking. Therefore, we aim to provide a comprehensive review of directed graph learning, with a particular focus on a data-centric perspective. Specifically, we first introduce a novel taxonomy for existing studies. Subsequently, we re-examine these methods from the data-centric perspective, with an emphasis on understanding and improving data representation. It demonstrates that a deep understanding of directed graphs and their quality plays a crucial role in model performance. Additionally, we explore the diverse applications of directed GNNs across 10+ domains, highlighting their broad applicability. Finally, we identify key opportunities and challenges within the field, offering insights that can guide future research and development in directed graph learning.

Transformer-based models, capable of learning better global dependencies, have recently demonstrated exceptional representation learning capabilities in computer vision and medical image analysis. Transformer reformats the image into separate patches and realizes global communication via the self-attention mechanism. However, positional information between patches is hard to preserve in such 1D sequences, and loss of it can lead to sub-optimal performance when dealing with large amounts of heterogeneous tissues of various sizes in 3D medical image segmentation. Additionally, current methods are not robust and efficient for heavy-duty medical segmentation tasks such as predicting a large number of tissue classes or modeling globally inter-connected tissue structures. To address such challenges and inspired by the nested hierarchical structures in vision transformer, we proposed a novel 3D medical image segmentation method (UNesT), employing a simplified and faster-converging transformer encoder design that achieves local communication among spatially adjacent patch sequences by aggregating them hierarchically. We extensively validate our method on multiple challenging datasets, consisting of multiple modalities, anatomies, and a wide range of tissue classes, including 133 structures in the brain, 14 organs in the abdomen, 4 hierarchical components in the kidneys, inter-connected kidney tumors and brain tumors. We show that UNesT consistently achieves state-of-the-art performance and evaluate its generalizability and data efficiency. Particularly, the model achieves whole brain segmentation task complete ROI with 133 tissue classes in a single network, outperforming prior state-of-the-art method SLANT27 ensembled with 27 networks.

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.

Malicious URL (Uniform Resource Locator) classification is a pivotal aspect of Cybersecurity, offering defense against web-based threats. Despite deep learning's promise in this area, its advancement is hindered by two main challenges: the scarcity of comprehensive, open-source datasets and the limitations of existing models, which either lack real-time capabilities or exhibit suboptimal performance. In order to address these gaps, we introduce a novel, multi-class dataset for malicious URL classification, distinguishing between benign, phishing and malicious URLs, named DeepURLBench. The data has been rigorously cleansed and structured, providing a superior alternative to existing datasets. Notably, the multi-class approach enhances the performance of deep learning models, as compared to a standard binary classification approach. Additionally, we propose improvements to string-based URL classifiers, applying these enhancements to URLNet. Key among these is the integration of DNS-derived features, which enrich the model's capabilities and lead to notable performance gains while preserving real-time runtime efficiency-achieving an effective balance for cybersecurity applications.

Deep Neural Networks (DNN) have achieved state-of-the-art results in a wide range of tasks, with the best results obtained with large training sets and large models. In the past, GPUs enabled these breakthroughs because of their greater computational speed. In the future, faster computation at both training and test time is likely to be crucial for further progress and for consumer applications on low-power devices. As a result, there is much interest in research and development of dedicated hardware for Deep Learning (DL). Binary weights, i.e., weights which are constrained to only two possible values (e.g. -1 or 1), would bring great benefits to specialized DL hardware by replacing many multiply-accumulate operations by simple accumulations, as multipliers are the most space and power-hungry components of the digital implementation of neural networks. We introduce BinaryConnect, a method which consists in training a DNN with binary weights during the forward and backward propagations, while retaining precision of the stored weights in which gradients are accumulated. Like other dropout schemes, we show that BinaryConnect acts as regularizer and we obtain near state-of-the-art results with BinaryConnect on the permutation-invariant MNIST, CIFAR-10 and SVHN.

Understanding how deep neural networks learn useful internal representations from data remains a central open problem in the theory of deep learning. We introduce Neural Low-Degree Filtering (Neural LoFi), a stylized limit of gradient-based training in which hierarchical feature learning becomes an explicit iterative spectral procedure. In this limit, the dynamics at each layer decouple: given the current representation, the next layer selects directions with maximal accessible low-degree correlation to the label. This yields a tractable surrogate mechanism for deep learning, together with a natural kernel-space interpretation. Neural LoFi provides a mathematically explicit framework for studying multi-layer feature learning beyond the lazy regime. It predicts how representations are selected layer by layer, explains how emergence of concepts arises with given sample complexity,and gives a concrete mechanism by which depth progressively constructs new features from old ones through low-degree compositionality. We complement the theory with mechanistic experiments on fully connected and convolutional architectures, showing that Neural LoFi improves over lazy random-feature baselines, recovers meaningful structured filters, and predicts representations aligned with early gradient-descent feature discovery with real datasets.

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

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.

Neural networks have enabled state-of-the-art approaches to achieve incredible results on computer vision tasks such as object detection. However, such success greatly relies on costly computation resources, which hinders people with cheap devices from appreciating the advanced technology. In this paper, we propose Cross Stage Partial Network (CSPNet) to mitigate the problem that previous works require heavy inference computations from the network architecture perspective. We attribute the problem to the duplicate gradient information within network optimization. The proposed networks respect the variability of the gradients by integrating feature maps from the beginning and the end of a network stage, which, in our experiments, reduces computations by 20% with equivalent or even superior accuracy on the ImageNet dataset, and significantly outperforms state-of-the-art approaches in terms of AP50 on the MS COCO object detection dataset. The CSPNet is easy to implement and general enough to cope with architectures based on ResNet, ResNeXt, and DenseNet. Source code is at https://github.com/WongKinYiu/CrossStagePartialNetworks.