Daily Papers

Prototypical part network (ProtoPNet) methods have been designed to achieve interpretable classification by associating predictions with a set of training prototypes, which we refer to as trivial prototypes because they are trained to lie far from the classification boundary in the feature space. Note that it is possible to make an analogy between ProtoPNet and support vector machine (SVM) given that the classification from both methods relies on computing similarity with a set of training points (i.e., trivial prototypes in ProtoPNet, and support vectors in SVM). However, while trivial prototypes are located far from the classification boundary, support vectors are located close to this boundary, and we argue that this discrepancy with the well-established SVM theory can result in ProtoPNet models with inferior classification accuracy. In this paper, we aim to improve the classification of ProtoPNet with a new method to learn support prototypes that lie near the classification boundary in the feature space, as suggested by the SVM theory. In addition, we target the improvement of classification results with a new model, named ST-ProtoPNet, which exploits our support prototypes and the trivial prototypes to provide more effective classification. Experimental results on CUB-200-2011, Stanford Cars, and Stanford Dogs datasets demonstrate that ST-ProtoPNet achieves state-of-the-art classification accuracy and interpretability results. We also show that the proposed support prototypes tend to be better localised in the object of interest rather than in the background region.

When we are faced with challenging image classification tasks, we often explain our reasoning by dissecting the image, and pointing out prototypical aspects of one class or another. The mounting evidence for each of the classes helps us make our final decision. In this work, we introduce a deep network architecture -- prototypical part network (ProtoPNet), that reasons in a similar way: the network dissects the image by finding prototypical parts, and combines evidence from the prototypes to make a final classification. The model thus reasons in a way that is qualitatively similar to the way ornithologists, physicians, and others would explain to people on how to solve challenging image classification tasks. The network uses only image-level labels for training without any annotations for parts of images. We demonstrate our method on the CUB-200-2011 dataset and the Stanford Cars dataset. Our experiments show that ProtoPNet can achieve comparable accuracy with its analogous non-interpretable counterpart, and when several ProtoPNets are combined into a larger network, it can achieve an accuracy that is on par with some of the best-performing deep models. Moreover, ProtoPNet provides a level of interpretability that is absent in other interpretable deep models.

Image recognition with prototypes is considered an interpretable alternative for black box deep learning models. Classification depends on the extent to which a test image "looks like" a prototype. However, perceptual similarity for humans can be different from the similarity learned by the classification model. Hence, only visualising prototypes can be insufficient for a user to understand what a prototype exactly represents, and why the model considers a prototype and an image to be similar. We address this ambiguity and argue that prototypes should be explained. We improve interpretability by automatically enhancing visual prototypes with textual quantitative information about visual characteristics deemed important by the classification model. Specifically, our method clarifies the meaning of a prototype by quantifying the influence of colour hue, shape, texture, contrast and saturation and can generate both global and local explanations. Because of the generality of our approach, it can improve the interpretability of any similarity-based method for prototypical image recognition. In our experiments, we apply our method to the existing Prototypical Part Network (ProtoPNet). Our analysis confirms that the global explanations are generalisable, and often correspond to the visually perceptible properties of a prototype. Our explanations are especially relevant for prototypes which might have been interpreted incorrectly otherwise. By explaining such 'misleading' prototypes, we improve the interpretability and simulatability of a prototype-based classification model. We also use our method to check whether visually similar prototypes have similar explanations, and are able to discover redundancy. Code is available at https://github.com/M-Nauta/Explaining_Prototypes .

Part-prototype networks (e.g., ProtoPNet, ProtoTree and ProtoPool) have attracted broad research interest for their intrinsic interpretability and comparable accuracy to non-interpretable counterparts. However, recent works find that the interpretability from prototypes is fragile, due to the semantic gap between the similarities in the feature space and that in the input space. In this work, we strive to address this challenge by making the first attempt to quantitatively and objectively evaluate the interpretability of the part-prototype networks. Specifically, we propose two evaluation metrics, termed as consistency score and stability score, to evaluate the explanation consistency across images and the explanation robustness against perturbations, respectively, both of which are essential for explanations taken into practice. Furthermore, we propose an elaborated part-prototype network with a shallow-deep feature alignment (SDFA) module and a score aggregation (SA) module to improve the interpretability of prototypes. We conduct systematical evaluation experiments and provide substantial discussions to uncover the interpretability of existing part-prototype networks. Experiments on three benchmarks across nine architectures demonstrate that our model achieves significantly superior performance to the state of the art, in both the accuracy and interpretability. Codes are available at https://github.com/hqhQAQ/EvalProtoPNet.

We propose prototypical networks for the problem of few-shot classification, where a classifier must generalize to new classes not seen in the training set, given only a small number of examples of each new class. Prototypical networks learn a metric space in which classification can be performed by computing distances to prototype representations of each class. Compared to recent approaches for few-shot learning, they reflect a simpler inductive bias that is beneficial in this limited-data regime, and achieve excellent results. We provide an analysis showing that some simple design decisions can yield substantial improvements over recent approaches involving complicated architectural choices and meta-learning. We further extend prototypical networks to zero-shot learning and achieve state-of-the-art results on the CU-Birds dataset.

Prototype models are an important method for explainable artificial intelligence (XAI) and interpretable machine learning. In this paper, we perform an in-depth analysis of a set of prominent prototype models including ProtoPNet, ProtoPool and PIPNet. For their assessment, we apply a comprehensive set of metrics. In addition to applying standard metrics from literature, we propose several new metrics to further complement the analysis of model interpretability. In our experimentation, we apply the set of prototype models on a diverse set of datasets including fine-grained classification, Non-IID settings and multi-label classification to further contrast the performance. Furthermore, we also provide our code as an open-source library (https://github.com/uos-sis/quanproto), which facilitates simple application of the metrics itself, as well as extensibility -- providing the option for easily adding new metrics and models.

Prototype-based classification learning methods are known to be inherently interpretable. However, this paradigm suffers from major limitations compared to deep models, such as lower performance. This led to the development of the so-called deep Prototype-Based Networks (PBNs), also known as prototypical parts models. In this work, we analyze these models with respect to different properties, including interpretability. In particular, we focus on the Classification-by-Components (CBC) approach, which uses a probabilistic model to ensure interpretability and can be used as a shallow or deep architecture. We show that this model has several shortcomings, like creating contradicting explanations. Based on these findings, we propose an extension of CBC that solves these issues. Moreover, we prove that this extension has robustness guarantees and derive a loss that optimizes robustness. Additionally, our analysis shows that most (deep) PBNs are related to (deep) RBF classifiers, which implies that our robustness guarantees generalize to shallow RBF classifiers. The empirical evaluation demonstrates that our deep PBN yields state-of-the-art classification accuracy on different benchmarks while resolving the interpretability shortcomings of other approaches. Further, our shallow PBN variant outperforms other shallow PBNs while being inherently interpretable and exhibiting provable robustness guarantees.

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.

We present PartNet: a consistent, large-scale dataset of 3D objects annotated with fine-grained, instance-level, and hierarchical 3D part information. Our dataset consists of 573,585 part instances over 26,671 3D models covering 24 object categories. This dataset enables and serves as a catalyst for many tasks such as shape analysis, dynamic 3D scene modeling and simulation, affordance analysis, and others. Using our dataset, we establish three benchmarking tasks for evaluating 3D part recognition: fine-grained semantic segmentation, hierarchical semantic segmentation, and instance segmentation. We benchmark four state-of-the-art 3D deep learning algorithms for fine-grained semantic segmentation and three baseline methods for hierarchical semantic segmentation. We also propose a novel method for part instance segmentation and demonstrate its superior performance over existing methods.

The lack of transparency of Deep Neural Networks continues to be a limitation that severely undermines their reliability and usage in high-stakes applications. Promising approaches to overcome such limitations are Prototype-Based Self-Explainable Neural Networks (PSENNs), whose predictions rely on the similarity between the input at hand and a set of prototypical representations of the output classes, offering therefore a deep, yet transparent-by-design, architecture. So far, such models have been designed by considering pointwise estimates for the prototypes, which remain fixed after the learning phase of the model. In this paper, we introduce a probabilistic reformulation of PSENNs, called Prob-PSENN, which replaces point estimates for the prototypes with probability distributions over their values. This provides not only a more flexible framework for an end-to-end learning of prototypes, but can also capture the explanatory uncertainty of the model, which is a missing feature in previous approaches. In addition, since the prototypes determine both the explanation and the prediction, Prob-PSENNs allow us to detect when the model is making uninformed or uncertain predictions, and to obtain valid explanations for them. Our experiments demonstrate that Prob-PSENNs provide more meaningful and robust explanations than their non-probabilistic counterparts, thus enhancing the explainability and reliability of the models.

This work introduces a new framework, ProtoSAM, for one-shot medical image segmentation. It combines the use of prototypical networks, known for few-shot segmentation, with SAM - a natural image foundation model. The method proposed creates an initial coarse segmentation mask using the ALPnet prototypical network, augmented with a DINOv2 encoder. Following the extraction of an initial mask, prompts are extracted, such as points and bounding boxes, which are then input into the Segment Anything Model (SAM). State-of-the-art results are shown on several medical image datasets and demonstrate automated segmentation capabilities using a single image example (one shot) with no need for fine-tuning of the foundation model. Our code is available at: https://github.com/levayz/ProtoSAM

Prototypical part learning is emerging as a promising approach for making semantic segmentation interpretable. The model selects real patches seen during training as prototypes and constructs the dense prediction map based on the similarity between parts of the test image and the prototypes. This improves interpretability since the user can inspect the link between the predicted output and the patterns learned by the model in terms of prototypical information. In this paper, we propose a method for interpretable semantic segmentation that leverages multi-scale image representation for prototypical part learning. First, we introduce a prototype layer that explicitly learns diverse prototypical parts at several scales, leading to multi-scale representations in the prototype activation output. Then, we propose a sparse grouping mechanism that produces multi-scale sparse groups of these scale-specific prototypical parts. This provides a deeper understanding of the interactions between multi-scale object representations while enhancing the interpretability of the segmentation model. The experiments conducted on Pascal VOC, Cityscapes, and ADE20K demonstrate that the proposed method increases model sparsity, improves interpretability over existing prototype-based methods, and narrows the performance gap with the non-interpretable counterpart models. Code is available at github.com/eceo-epfl/ScaleProtoSeg.

We propose PartField, a feedforward approach for learning part-based 3D features, which captures the general concept of parts and their hierarchy without relying on predefined templates or text-based names, and can be applied to open-world 3D shapes across various modalities. PartField requires only a 3D feedforward pass at inference time, significantly improving runtime and robustness compared to prior approaches. Our model is trained by distilling 2D and 3D part proposals from a mix of labeled datasets and image segmentations on large unsupervised datasets, via a contrastive learning formulation. It produces a continuous feature field which can be clustered to yield a hierarchical part decomposition. Comparisons show that PartField is up to 20% more accurate and often orders of magnitude faster than other recent class-agnostic part-segmentation methods. Beyond single-shape part decomposition, consistency in the learned field emerges across shapes, enabling tasks such as co-segmentation and correspondence, which we demonstrate in several applications of these general-purpose, hierarchical, and consistent 3D feature fields. Check our Webpage! https://research.nvidia.com/labs/toronto-ai/partfield-release/

In skeleton-based action recognition, a key challenge is distinguishing between actions with similar trajectories of joints due to the lack of image-level details in skeletal representations. Recognizing that the differentiation of similar actions relies on subtle motion details in specific body parts, we direct our approach to focus on the fine-grained motion of local skeleton components. To this end, we introduce ProtoGCN, a Graph Convolutional Network (GCN)-based model that breaks down the dynamics of entire skeleton sequences into a combination of learnable prototypes representing core motion patterns of action units. By contrasting the reconstruction of prototypes, ProtoGCN can effectively identify and enhance the discriminative representation of similar actions. Without bells and whistles, ProtoGCN achieves state-of-the-art performance on multiple benchmark datasets, including NTU RGB+D, NTU RGB+D 120, Kinetics-Skeleton, and FineGYM, which demonstrates the effectiveness of the proposed method. The code is available at https://github.com/firework8/ProtoGCN.

Network pruning, aimed at reducing network size while preserving accuracy, has attracted significant research interest. Numerous pruning techniques have been proposed over time. They are becoming increasingly effective, but more complex and harder to interpret as well. Given the inherent complexity of neural networks, we argue that manually designing pruning criteria has reached a bottleneck. To address this, we propose a novel approach in which we "use a neural network to prune neural networks". More specifically, we introduce the newly developed idea of metanetwork from meta-learning into pruning. A metanetwork is a network that takes another network as input and produces a modified network as output. In this paper, we first establish a bijective mapping between neural networks and graphs, and then employ a graph neural network as our metanetwork. We train a metanetwork that learns the pruning strategy automatically which can transform a network that is hard to prune into another network that is much easier to prune. Once the metanetwork is trained, our pruning needs nothing more than a feedforward through the metanetwork and the standard finetuning to prune at state-of-the-art. Our method achieved outstanding results on many popular and representative pruning tasks (including ResNet56 on CIFAR10, VGG19 on CIFAR100, ResNet50 on ImageNet). Our code is available at https://github.com/Yewei-Liu/MetaPruning

Deep learning-based electrocardiogram (ECG) classification has shown impressive performance but clinical adoption has been slowed by the lack of transparent and faithful explanations. Post hoc methods such as saliency maps may fail to reflect a model's true decision process. Prototype-based reasoning offers a more transparent alternative by grounding decisions in similarity to learned representations of real ECG segments, enabling faithful, case-based explanations. We introduce ProtoECGNet, a prototype-based deep learning model for interpretable, multi-label ECG classification. ProtoECGNet employs a structured, multi-branch architecture that reflects clinical interpretation workflows: it integrates a 1D CNN with global prototypes for rhythm classification, a 2D CNN with time-localized prototypes for morphology-based reasoning, and a 2D CNN with global prototypes for diffuse abnormalities. Each branch is trained with a prototype loss designed for multi-label learning, combining clustering, separation, diversity, and a novel contrastive loss that encourages appropriate separation between prototypes of unrelated classes while allowing clustering for frequently co-occurring diagnoses. We evaluate ProtoECGNet on all 71 diagnostic labels from the PTB-XL dataset, demonstrating competitive performance relative to state-of-the-art black-box models while providing structured, case-based explanations. To assess prototype quality, we conduct a structured clinician review of the final model's projected prototypes, finding that they are rated as representative and clear. ProtoECGNet shows that prototype learning can be effectively scaled to complex, multi-label time-series classification, offering a practical path toward transparent and trustworthy deep learning models for clinical decision support.

We present ProtoTEx, a novel white-box NLP classification architecture based on prototype networks. ProtoTEx faithfully explains model decisions based on prototype tensors that encode latent clusters of training examples. At inference time, classification decisions are based on the distances between the input text and the prototype tensors, explained via the training examples most similar to the most influential prototypes. We also describe a novel interleaved training algorithm that effectively handles classes characterized by the absence of indicative features. On a propaganda detection task, ProtoTEx accuracy matches BART-large and exceeds BERT-large with the added benefit of providing faithful explanations. A user study also shows that prototype-based explanations help non-experts to better recognize propaganda in online news.

Auxiliary tasks improve the representations learned by deep reinforcement learning agents. Analytically, their effect is reasonably well understood; in practice, however, their primary use remains in support of a main learning objective, rather than as a method for learning representations. This is perhaps surprising given that many auxiliary tasks are defined procedurally, and hence can be treated as an essentially infinite source of information about the environment. Based on this observation, we study the effectiveness of auxiliary tasks for learning rich representations, focusing on the setting where the number of tasks and the size of the agent's network are simultaneously increased. For this purpose, we derive a new family of auxiliary tasks based on the successor measure. These tasks are easy to implement and have appealing theoretical properties. Combined with a suitable off-policy learning rule, the result is a representation learning algorithm that can be understood as extending Mahadevan & Maggioni (2007)'s proto-value functions to deep reinforcement learning -- accordingly, we call the resulting object proto-value networks. Through a series of experiments on the Arcade Learning Environment, we demonstrate that proto-value networks produce rich features that may be used to obtain performance comparable to established algorithms, using only linear approximation and a small number (~4M) of interactions with the environment's reward function.

Motivated by applications in chemistry and other sciences, we study the expressive power of message-passing neural networks for geometric graphs, whose node features correspond to 3-dimensional positions. Recent work has shown that such models can separate generic pairs of non-isomorphic geometric graphs, though they may fail to separate some rare and complicated instances. However, these results assume a fully connected graph, where each node possesses complete knowledge of all other nodes. In contrast, often, in application, every node only possesses knowledge of a small number of nearest neighbors. This paper shows that generic pairs of non-isomorphic geometric graphs can be separated by message-passing networks with rotation equivariant features as long as the underlying graph is connected. When only invariant intermediate features are allowed, generic separation is guaranteed for generically globally rigid graphs. We introduce a simple architecture, EGENNET, which achieves our theoretical guarantees and compares favorably with alternative architecture on synthetic and chemical benchmarks. Our code is available at https://github.com/yonatansverdlov/E-GenNet.

Tabular biomedical data poses challenges in machine learning because it is often high-dimensional and typically low-sample-size (HDLSS). Previous research has attempted to address these challenges via local feature selection, but existing approaches often fail to achieve optimal performance due to their limitation in identifying globally important features and their susceptibility to the co-adaptation problem. In this paper, we propose ProtoGate, a prototype-based neural model for feature selection on HDLSS data. ProtoGate first selects instance-wise features via adaptively balancing global and local feature selection. Furthermore, ProtoGate employs a non-parametric prototype-based prediction mechanism to tackle the co-adaptation problem, ensuring the feature selection results and predictions are consistent with underlying data clusters. We conduct comprehensive experiments to evaluate the performance and interpretability of ProtoGate on synthetic and real-world datasets. The results show that ProtoGate generally outperforms state-of-the-art methods in prediction accuracy by a clear margin while providing high-fidelity feature selection and explainable predictions. Code is available at https://github.com/SilenceX12138/ProtoGate.

The growing popularity of generative flow networks (GFlowNets or GFNs) from a range of researchers with diverse backgrounds and areas of expertise necessitates a library that facilitates the testing of new features (e.g., training losses and training policies) against standard benchmark implementations, or on a set of common environments. We present torchgfn, a PyTorch library that aims to address this need. Its core contribution is a modular and decoupled architecture which treats environments, neural network modules, and training objectives as interchangeable components. This provides users with a simple yet powerful API to facilitate rapid prototyping and novel research. Multiple examples are provided, replicating and unifying published results. The library is available on GitHub (https://github.com/GFNOrg/torchgfn) and on pypi (https://pypi.org/project/torchgfn/).

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.

The Mixture of Experts (MoE) architecture has excelled in Large Vision-Language Models (LVLMs), yet its potential in real-time open-vocabulary object detectors, which also leverage large-scale vision-language datasets but smaller models, remains unexplored. This work investigates this domain, revealing intriguing insights. In the shallow layers, experts tend to cooperate with diverse peers to expand the search space. While in the deeper layers, fixed collaborative structures emerge, where each expert maintains 2-3 fixed partners and distinct expert combinations are specialized in processing specific patterns. Concretely, we propose Dynamic-DINO, which extends Grounding DINO 1.5 Edge from a dense model to a dynamic inference framework via an efficient MoE-Tuning strategy. Additionally, we design a granularity decomposition mechanism to decompose the Feed-Forward Network (FFN) of base model into multiple smaller expert networks, expanding the subnet search space. To prevent performance degradation at the start of fine-tuning, we further propose a pre-trained weight allocation strategy for the experts, coupled with a specific router initialization. During inference, only the input-relevant experts are activated to form a compact subnet. Experiments show that, pretrained with merely 1.56M open-source data, Dynamic-DINO outperforms Grounding DINO 1.5 Edge, pretrained on the private Grounding20M dataset.

Parameter-efficient fine-tuning (PEFT) has shown its effectiveness in adapting the pre-trained language models to downstream tasks while only updating a small number of parameters. Despite the success, most existing methods independently adapt to each task without considering knowledge transfer between tasks and are limited to low-data regimes. To overcome this issue, we propose Prototype-based HyperAdapter (PHA), a novel framework built on the adapter-tuning and hypernetwork. It introduces an instance-dense retriever and a prototypical hypernetwork to generate the conditional modules in a sample-efficient manner. This leads to comparable performance improvements against existing PEFT methods on multi-task learning and few-shot transfer learning. More importantly, when the available data size gets smaller, our method outperforms other strong baselines by a large margin. Based on our extensive empirical experiments across various datasets, we demonstrate that PHA strikes a better trade-off between trainable parameters, accuracy on stream tasks, and sample efficiency.

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

Neural networks efficiently encode learned information within their parameters. Consequently, many tasks can be unified by treating neural networks themselves as input data. When doing so, recent studies demonstrated the importance of accounting for the symmetries and geometry of parameter spaces. However, those works developed architectures tailored to specific networks such as MLPs and CNNs without normalization layers, and generalizing such architectures to other types of networks can be challenging. In this work, we overcome these challenges by building new metanetworks - neural networks that take weights from other neural networks as input. Put simply, we carefully build graphs representing the input neural networks and process the graphs using graph neural networks. Our approach, Graph Metanetworks (GMNs), generalizes to neural architectures where competing methods struggle, such as multi-head attention layers, normalization layers, convolutional layers, ResNet blocks, and group-equivariant linear layers. We prove that GMNs are expressive and equivariant to parameter permutation symmetries that leave the input neural network functions unchanged. We validate the effectiveness of our method on several metanetwork tasks over diverse neural network architectures.

Message passing neural networks (MPNNs) have been shown to suffer from the phenomenon of over-squashing that causes poor performance for tasks relying on long-range interactions. This can be largely attributed to message passing only occurring locally, over a node's immediate neighbours. Rewiring approaches attempting to make graphs 'more connected', and supposedly better suited to long-range tasks, often lose the inductive bias provided by distance on the graph since they make distant nodes communicate instantly at every layer. In this paper we propose a framework, applicable to any MPNN architecture, that performs a layer-dependent rewiring to ensure gradual densification of the graph. We also propose a delay mechanism that permits skip connections between nodes depending on the layer and their mutual distance. We validate our approach on several long-range tasks and show that it outperforms graph Transformers and multi-hop MPNNs.

Node features and structural information of a graph are both crucial for semi-supervised node classification problems. A variety of graph neural network (GNN) based approaches have been proposed to tackle these problems, which typically determine output labels through feature aggregation. This can be problematic, as it implies conditional independence of output nodes given hidden representations, despite their direct connections in the graph. To learn the direct influence among output nodes in a graph, we propose the Explicit Pairwise Factorized Graph Neural Network (EPFGNN), which models the whole graph as a partially observed Markov Random Field. It contains explicit pairwise factors to model output-output relations and uses a GNN backbone to model input-output relations. To balance model complexity and expressivity, the pairwise factors have a shared component and a separate scaling coefficient for each edge. We apply the EM algorithm to train our model, and utilize a star-shaped piecewise likelihood for the tractable surrogate objective. We conduct experiments on various datasets, which shows that our model can effectively improve the performance for semi-supervised node classification on graphs.

Automatic medical image segmentation is a crucial topic in the medical domain and successively a critical counterpart in the computer-aided diagnosis paradigm. U-Net is the most widespread image segmentation architecture due to its flexibility, optimized modular design, and success in all medical image modalities. Over the years, the U-Net model achieved tremendous attention from academic and industrial researchers. Several extensions of this network have been proposed to address the scale and complexity created by medical tasks. Addressing the deficiency of the naive U-Net model is the foremost step for vendors to utilize the proper U-Net variant model for their business. Having a compendium of different variants in one place makes it easier for builders to identify the relevant research. Also, for ML researchers it will help them understand the challenges of the biological tasks that challenge the model. To address this, we discuss the practical aspects of the U-Net model and suggest a taxonomy to categorize each network variant. Moreover, to measure the performance of these strategies in a clinical application, we propose fair evaluations of some unique and famous designs on well-known datasets. We provide a comprehensive implementation library with trained models for future research. In addition, for ease of future studies, we created an online list of U-Net papers with their possible official implementation. All information is gathered in https://github.com/NITR098/Awesome-U-Net repository.

Distributed Denial of Service (DDoS) attacks pose an increasingly substantial cybersecurity threat to organizations across the globe. In this paper, we introduce a new deep learning-based technique for detecting DDoS attacks, a paramount cybersecurity challenge with evolving complexity and scale. Specifically, we propose a new dual-space prototypical network that leverages a unique dual-space loss function to enhance detection accuracy for various attack patterns through geometric and angular similarity measures. This approach capitalizes on the strengths of representation learning within the latent space (a lower-dimensional representation of data that captures complex patterns for machine learning analysis), improving the model's adaptability and sensitivity towards varying DDoS attack vectors. Our comprehensive evaluation spans multiple training environments, including offline training, simulated online training, and prototypical network scenarios, to validate the model's robustness under diverse data abundance and scarcity conditions. The Multilayer Perceptron (MLP) with Attention, trained with our dual-space prototypical design over a reduced training set, achieves an average accuracy of 94.85% and an F1-Score of 94.71% across our tests, showcasing its effectiveness in dynamic and constrained real-world scenarios.

Prototype-based methods use interpretable representations to address the black-box nature of deep learning models, in contrast to post-hoc explanation methods that only approximate such models. We propose the Neural Prototype Tree (ProtoTree), an intrinsically interpretable deep learning method for fine-grained image recognition. ProtoTree combines prototype learning with decision trees, and thus results in a globally interpretable model by design. Additionally, ProtoTree can locally explain a single prediction by outlining a decision path through the tree. Each node in our binary tree contains a trainable prototypical part. The presence or absence of this learned prototype in an image determines the routing through a node. Decision making is therefore similar to human reasoning: Does the bird have a red throat? And an elongated beak? Then it's a hummingbird! We tune the accuracy-interpretability trade-off using ensemble methods, pruning and binarizing. We apply pruning without sacrificing accuracy, resulting in a small tree with only 8 learned prototypes along a path to classify a bird from 200 species. An ensemble of 5 ProtoTrees achieves competitive accuracy on the CUB-200- 2011 and Stanford Cars data sets. Code is available at https://github.com/M-Nauta/ProtoTree

The use of deep neural models for diagnosis prediction from clinical text has shown promising results. However, in clinical practice such models must not only be accurate, but provide doctors with interpretable and helpful results. We introduce ProtoPatient, a novel method based on prototypical networks and label-wise attention with both of these abilities. ProtoPatient makes predictions based on parts of the text that are similar to prototypical patients - providing justifications that doctors understand. We evaluate the model on two publicly available clinical datasets and show that it outperforms existing baselines. Quantitative and qualitative evaluations with medical doctors further demonstrate that the model provides valuable explanations for clinical decision support.

Recent advances in Neural Architecture Search (NAS) which extract specialized hardware-aware configurations (a.k.a. "sub-networks") from a hardware-agnostic "super-network" have become increasingly popular. While considerable effort has been employed towards improving the first stage, namely, the training of the super-network, the search for derivative high-performing sub-networks is still largely under-explored. For example, some recent network morphism techniques allow a super-network to be trained once and then have hardware-specific networks extracted from it as needed. These methods decouple the super-network training from the sub-network search and thus decrease the computational burden of specializing to different hardware platforms. We propose a comprehensive system that automatically and efficiently finds sub-networks from a pre-trained super-network that are optimized to different performance metrics and hardware configurations. By combining novel search tactics and algorithms with intelligent use of predictors, we significantly decrease the time needed to find optimal sub-networks from a given super-network. Further, our approach does not require the super-network to be refined for the target task a priori, thus allowing it to interface with any super-network. We demonstrate through extensive experiments that our system works seamlessly with existing state-of-the-art super-network training methods in multiple domains. Moreover, we show how novel search tactics paired with evolutionary algorithms can accelerate the search process for ResNet50, MobileNetV3 and Transformer while maintaining objective space Pareto front diversity and demonstrate an 8x faster search result than the state-of-the-art Bayesian optimization WeakNAS approach.

Personalized federated learning is tasked with training machine learning models for multiple clients, each with its own data distribution. The goal is to train personalized models in a collaborative way while accounting for data disparities across clients and reducing communication costs. We propose a novel approach to this problem using hypernetworks, termed pFedHN for personalized Federated HyperNetworks. In this approach, a central hypernetwork model is trained to generate a set of models, one model for each client. This architecture provides effective parameter sharing across clients, while maintaining the capacity to generate unique and diverse personal models. Furthermore, since hypernetwork parameters are never transmitted, this approach decouples the communication cost from the trainable model size. We test pFedHN empirically in several personalized federated learning challenges and find that it outperforms previous methods. Finally, since hypernetworks share information across clients we show that pFedHN can generalize better to new clients whose distributions differ from any client observed during training.

This paper introduces the Point Cloud Network (PCN) architecture, a novel implementation of linear layers in deep learning networks, and provides empirical evidence to advocate for its preference over the Multilayer Perceptron (MLP) in linear layers. We train several models, including the original AlexNet, using both MLP and PCN architectures for direct comparison of linear layers (Krizhevsky et al., 2012). The key results collected are model parameter count and top-1 test accuracy over the CIFAR-10 and CIFAR-100 datasets (Krizhevsky, 2009). AlexNet-PCN16, our PCN equivalent to AlexNet, achieves comparable efficacy (test accuracy) to the original architecture with a 99.5% reduction of parameters in its linear layers. All training is done on cloud RTX 4090 GPUs, leveraging pytorch for model construction and training. Code is provided for anyone to reproduce the trials from this paper.

In this work, we present a new network design paradigm. Our goal is to help advance the understanding of network design and discover design principles that generalize across settings. Instead of focusing on designing individual network instances, we design network design spaces that parametrize populations of networks. The overall process is analogous to classic manual design of networks, but elevated to the design space level. Using our methodology we explore the structure aspect of network design and arrive at a low-dimensional design space consisting of simple, regular networks that we call RegNet. The core insight of the RegNet parametrization is surprisingly simple: widths and depths of good networks can be explained by a quantized linear function. We analyze the RegNet design space and arrive at interesting findings that do not match the current practice of network design. The RegNet design space provides simple and fast networks that work well across a wide range of flop regimes. Under comparable training settings and flops, the RegNet models outperform the popular EfficientNet models while being up to 5x faster on GPUs.

We propose a new neural network design paradigm Reversible Column Network (RevCol). The main body of RevCol is composed of multiple copies of subnetworks, named columns respectively, between which multi-level reversible connections are employed. Such architectural scheme attributes RevCol very different behavior from conventional networks: during forward propagation, features in RevCol are learned to be gradually disentangled when passing through each column, whose total information is maintained rather than compressed or discarded as other network does. Our experiments suggest that CNN-style RevCol models can achieve very competitive performances on multiple computer vision tasks such as image classification, object detection and semantic segmentation, especially with large parameter budget and large dataset. For example, after ImageNet-22K pre-training, RevCol-XL obtains 88.2% ImageNet-1K accuracy. Given more pre-training data, our largest model RevCol-H reaches 90.0% on ImageNet-1K, 63.8% APbox on COCO detection minival set, 61.0% mIoU on ADE20k segmentation. To our knowledge, it is the best COCO detection and ADE20k segmentation result among pure (static) CNN models. Moreover, as a general macro architecture fashion, RevCol can also be introduced into transformers or other neural networks, which is demonstrated to improve the performances in both computer vision and NLP tasks. We release code and models at https://github.com/megvii-research/RevCol

Understanding objects at the level of their constituent parts is fundamental to advancing computer vision, graphics, and robotics. While datasets like PartNet have driven progress in 3D part understanding, their reliance on untextured geometries and expert-dependent annotation limits scalability and usability. We introduce PartNeXt, a next-generation dataset addressing these gaps with over 23,000 high-quality, textured 3D models annotated with fine-grained, hierarchical part labels across 50 categories. We benchmark PartNeXt on two tasks: (1) class-agnostic part segmentation, where state-of-the-art methods (e.g., PartField, SAMPart3D) struggle with fine-grained and leaf-level parts, and (2) 3D part-centric question answering, a new benchmark for 3D-LLMs that reveals significant gaps in open-vocabulary part grounding. Additionally, training Point-SAM on PartNeXt yields substantial gains over PartNet, underscoring the dataset's superior quality and diversity. By combining scalable annotation, texture-aware labels, and multi-task evaluation, PartNeXt opens new avenues for research in structured 3D understanding.

Protein representation learning (PRL) is crucial for understanding structure-function relationships, yet current sequence- and graph-based methods fail to capture the hierarchical organization inherent in protein structures. We introduce Topotein, a comprehensive framework that applies topological deep learning to PRL through the novel Protein Combinatorial Complex (PCC) and Topology-Complete Perceptron Network (TCPNet). Our PCC represents proteins at multiple hierarchical levels -- from residues to secondary structures to complete proteins -- while preserving geometric information at each level. TCPNet employs SE(3)-equivariant message passing across these hierarchical structures, enabling more effective capture of multi-scale structural patterns. Through extensive experiments on four PRL tasks, TCPNet consistently outperforms state-of-the-art geometric graph neural networks. Our approach demonstrates particular strength in tasks such as fold classification which require understanding of secondary structure arrangements, validating the importance of hierarchical topological features for protein analysis.

Mixture-of-Experts (MoE) has emerged as a powerful paradigm for scaling model capacity while preserving computational efficiency. Despite its notable success in large language models (LLMs), existing attempts to apply MoE to Diffusion Transformers (DiTs) have yielded limited gains. We attribute this gap to fundamental differences between language and visual tokens. Language tokens are semantically dense with pronounced inter-token variation, while visual tokens exhibit spatial redundancy and functional heterogeneity, hindering expert specialization in vision MoE. To this end, we present ProMoE, an MoE framework featuring a two-step router with explicit routing guidance that promotes expert specialization. Specifically, this guidance encourages the router to partition image tokens into conditional and unconditional sets via conditional routing according to their functional roles, and refine the assignments of conditional image tokens through prototypical routing with learnable prototypes based on semantic content. Moreover, the similarity-based expert allocation in latent space enabled by prototypical routing offers a natural mechanism for incorporating explicit semantic guidance, and we validate that such guidance is crucial for vision MoE. Building on this, we propose a routing contrastive loss that explicitly enhances the prototypical routing process, promoting intra-expert coherence and inter-expert diversity. Extensive experiments on ImageNet benchmark demonstrate that ProMoE surpasses state-of-the-art methods under both Rectified Flow and DDPM training objectives. Code and models will be made publicly available.

Graph Neural Networks (GNNs) have emerged as powerful tools for learning on graph-structured data, but often struggle to balance local and global information. While graph Transformers aim to address this by enabling long-range interactions, they often overlook the inherent locality and efficiency of Message Passing Neural Networks (MPNNs). We propose a new concept called fractal nodes, inspired by the fractal structure observed in real-world networks. Our approach is based on the intuition that graph partitioning naturally induces fractal structure, where subgraphs often reflect the connectivity patterns of the full graph. Fractal nodes are designed to coexist with the original nodes and adaptively aggregate subgraph-level feature representations, thereby enforcing feature similarity within each subgraph. We show that fractal nodes alleviate the over-squashing problem by providing direct shortcut connections that enable long-range propagation of subgraph-level representations. Experiment results show that our method improves the expressive power of MPNNs and achieves comparable or better performance to graph Transformers while maintaining the computational efficiency of MPNN by improving the long-range dependencies of MPNN.

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.

Point cloud is an important type of geometric data structure. Due to its irregular format, most researchers transform such data to regular 3D voxel grids or collections of images. This, however, renders data unnecessarily voluminous and causes issues. In this paper, we design a novel type of neural network that directly consumes point clouds and well respects the permutation invariance of points in the input. Our network, named PointNet, provides a unified architecture for applications ranging from object classification, part segmentation, to scene semantic parsing. Though simple, PointNet is highly efficient and effective. Empirically, it shows strong performance on par or even better than state of the art. Theoretically, we provide analysis towards understanding of what the network has learnt and why the network is robust with respect to input perturbation and corruption.

We present PartComposer: a framework for part-level concept learning from single-image examples that enables text-to-image diffusion models to compose novel objects from meaningful components. Existing methods either struggle with effectively learning fine-grained concepts or require a large dataset as input. We propose a dynamic data synthesis pipeline generating diverse part compositions to address one-shot data scarcity. Most importantly, we propose to maximize the mutual information between denoised latents and structured concept codes via a concept predictor, enabling direct regulation on concept disentanglement and re-composition supervision. Our method achieves strong disentanglement and controllable composition, outperforming subject and part-level baselines when mixing concepts from the same, or different, object categories.

We describe federated reconnaissance, a class of learning problems in which distributed clients learn new concepts independently and communicate that knowledge efficiently. In particular, we propose an evaluation framework and methodological baseline for a system in which each client is expected to learn a growing set of classes and communicate knowledge of those classes efficiently with other clients, such that, after knowledge merging, the clients should be able to accurately discriminate between classes in the superset of classes observed by the set of clients. We compare a range of learning algorithms for this problem and find that prototypical networks are a strong approach in that they are robust to catastrophic forgetting while incorporating new information efficiently. Furthermore, we show that the online averaging of prototype vectors is effective for client model merging and requires only a small amount of communication overhead, memory, and update time per class with no gradient-based learning or hyperparameter tuning. Additionally, to put our results in context, we find that a simple, prototypical network with four convolutional layers significantly outperforms complex, state of the art continual learning algorithms, increasing the accuracy by over 22% after learning 600 Omniglot classes and over 33% after learning 20 mini-ImageNet classes incrementally. These results have important implications for federated reconnaissance and continual learning more generally by demonstrating that communicating feature vectors is an efficient, robust, and effective means for distributed, continual learning.

The Multi-Prize Lottery Ticket Hypothesis posits that randomly initialized neural networks contain several subnetworks that achieve comparable accuracy to fully trained models of the same architecture. However, current methods require that the network is sufficiently overparameterized. In this work, we propose a modification to two state-of-the-art algorithms (Edge-Popup and Biprop) that finds high-accuracy subnetworks with no additional storage cost or scaling. The algorithm, Iterative Weight Recycling, identifies subsets of important weights within a randomly initialized network for intra-layer reuse. Empirically we show improvements on smaller network architectures and higher prune rates, finding that model sparsity can be increased through the "recycling" of existing weights. In addition to Iterative Weight Recycling, we complement the Multi-Prize Lottery Ticket Hypothesis with a reciprocal finding: high-accuracy, randomly initialized subnetwork's produce diverse masks, despite being generated with the same hyperparameter's and pruning strategy. We explore the landscapes of these masks, which show high variability.

We present Meta Pseudo Labels, a semi-supervised learning method that achieves a new state-of-the-art top-1 accuracy of 90.2% on ImageNet, which is 1.6% better than the existing state-of-the-art. Like Pseudo Labels, Meta Pseudo Labels has a teacher network to generate pseudo labels on unlabeled data to teach a student network. However, unlike Pseudo Labels where the teacher is fixed, the teacher in Meta Pseudo Labels is constantly adapted by the feedback of the student's performance on the labeled dataset. As a result, the teacher generates better pseudo labels to teach the student. Our code will be available at https://github.com/google-research/google-research/tree/master/meta_pseudo_labels.

Recently, Heterogeneous Federated Learning (HtFL) has attracted attention due to its ability to support heterogeneous models and data. To reduce the high communication cost of transmitting model parameters, a major challenge in HtFL, prototype-based HtFL methods are proposed to solely share class representatives, a.k.a, prototypes, among heterogeneous clients while maintaining the privacy of clients' models. However, these prototypes are naively aggregated into global prototypes on the server using weighted averaging, resulting in suboptimal global knowledge which negatively impacts the performance of clients. To overcome this challenge, we introduce a novel HtFL approach called FedTGP, which leverages our Adaptive-margin-enhanced Contrastive Learning (ACL) to learn Trainable Global Prototypes (TGP) on the server. By incorporating ACL, our approach enhances prototype separability while preserving semantic meaning. Extensive experiments with twelve heterogeneous models demonstrate that our FedTGP surpasses state-of-the-art methods by up to 9.08% in accuracy while maintaining the communication and privacy advantages of prototype-based HtFL. Our code is available at https://github.com/TsingZ0/FedTGP.

State-of-the-art object detection networks depend on region proposal algorithms to hypothesize object locations. Advances like SPPnet and Fast R-CNN have reduced the running time of these detection networks, exposing region proposal computation as a bottleneck. In this work, we introduce a Region Proposal Network (RPN) that shares full-image convolutional features with the detection network, thus enabling nearly cost-free region proposals. An RPN is a fully convolutional network that simultaneously predicts object bounds and objectness scores at each position. The RPN is trained end-to-end to generate high-quality region proposals, which are used by Fast R-CNN for detection. We further merge RPN and Fast R-CNN into a single network by sharing their convolutional features---using the recently popular terminology of neural networks with 'attention' mechanisms, the RPN component tells the unified network where to look. For the very deep VGG-16 model, our detection system has a frame rate of 5fps (including all steps) on a GPU, while achieving state-of-the-art object detection accuracy on PASCAL VOC 2007, 2012, and MS COCO datasets with only 300 proposals per image. In ILSVRC and COCO 2015 competitions, Faster R-CNN and RPN are the foundations of the 1st-place winning entries in several tracks. Code has been made publicly available.

The prevalence of relation networks in computer vision is in stark contrast to underexplored point-based methods. In this paper, we explore the possibilities of local relation operators and survey their feasibility. We propose a scalable and efficient module, called group relation aggregator. The module computes a feature of a group based on the aggregation of the features of the inner-group points weighted by geometric relations and semantic relations. We adopt this module to design our RPNet. We further verify the expandability of RPNet, in terms of both depth and width, on the tasks of classification and segmentation. Surprisingly, empirical results show that wider RPNet fits for classification, while deeper RPNet works better on segmentation. RPNet achieves state-of-the-art for classification and segmentation on challenging benchmarks. We also compare our local aggregator with PointNet++, with around 30% parameters and 50% computation saving. Finally, we conduct experiments to reveal the robustness of RPNet with regard to rigid transformation and noises.

Message-passing graph neural networks (MPNNs) emerged as powerful tools for processing graph-structured input. However, they operate on a fixed input graph structure, ignoring potential noise and missing information. Furthermore, their local aggregation mechanism can lead to problems such as over-squashing and limited expressive power in capturing relevant graph structures. Existing solutions to these challenges have primarily relied on heuristic methods, often disregarding the underlying data distribution. Hence, devising principled approaches for learning to infer graph structures relevant to the given prediction task remains an open challenge. In this work, leveraging recent progress in exact and differentiable k-subset sampling, we devise probabilistically rewired MPNNs (PR-MPNNs), which learn to add relevant edges while omitting less beneficial ones. For the first time, our theoretical analysis explores how PR-MPNNs enhance expressive power, and we identify precise conditions under which they outperform purely randomized approaches. Empirically, we demonstrate that our approach effectively mitigates issues like over-squashing and under-reaching. In addition, on established real-world datasets, our method exhibits competitive or superior predictive performance compared to traditional MPNN models and recent graph transformer architectures.

Network embedding has been intensively studied in the literature and widely used in various applications, such as link prediction and node classification. While previous work focus on the design of new algorithms or are tailored for various problem settings, the discussion of initialization strategies in the learning process is often missed. In this work, we address this important issue of initialization for network embedding that could dramatically improve the performance of the algorithms on both effectiveness and efficiency. Specifically, we first exploit the graph partition technique that divides the graph into several disjoint subsets, and then construct an abstract graph based on the partitions. We obtain the initialization of the embedding for each node in the graph by computing the network embedding on the abstract graph, which is much smaller than the input graph, and then propagating the embedding among the nodes in the input graph. With extensive experiments on various datasets, we demonstrate that our initialization technique significantly improves the performance of the state-of-the-art algorithms on the evaluations of link prediction and node classification by up to 7.76% and 8.74% respectively. Besides, we show that the technique of initialization reduces the running time of the state-of-the-arts by at least 20%.

We introduce PartCrafter, the first structured 3D generative model that jointly synthesizes multiple semantically meaningful and geometrically distinct 3D meshes from a single RGB image. Unlike existing methods that either produce monolithic 3D shapes or follow two-stage pipelines, i.e., first segmenting an image and then reconstructing each segment, PartCrafter adopts a unified, compositional generation architecture that does not rely on pre-segmented inputs. Conditioned on a single image, it simultaneously denoises multiple 3D parts, enabling end-to-end part-aware generation of both individual objects and complex multi-object scenes. PartCrafter builds upon a pretrained 3D mesh diffusion transformer (DiT) trained on whole objects, inheriting the pretrained weights, encoder, and decoder, and introduces two key innovations: (1) A compositional latent space, where each 3D part is represented by a set of disentangled latent tokens; (2) A hierarchical attention mechanism that enables structured information flow both within individual parts and across all parts, ensuring global coherence while preserving part-level detail during generation. To support part-level supervision, we curate a new dataset by mining part-level annotations from large-scale 3D object datasets. Experiments show that PartCrafter outperforms existing approaches in generating decomposable 3D meshes, including parts that are not directly visible in input images, demonstrating the strength of part-aware generative priors for 3D understanding and synthesis. Code and training data will be released.

Fine-tuning pre-trained models has emerged as a powerful technique in numerous domains, owing to its ability to leverage enormous pre-existing knowledge and achieve remarkable performance on downstream tasks. However, updating the parameters of entire networks is computationally intensive. Although state-of-the-art parameter-efficient transfer learning (PETL) methods significantly reduce the trainable parameters and storage demand, almost all of them still need to back-propagate the gradients through large pre-trained networks. This memory-extensive characteristic extremely limits the applicability of PETL methods in real-world scenarios. To this end, we propose a new memory-efficient PETL strategy, dubbed Universal Parallel Tuning (UniPT). Specifically, we facilitate the transfer process via a lightweight learnable parallel network, which consists of two modules: 1) A parallel interaction module that decouples the inherently sequential connections and processes the intermediate activations detachedly of the pre-trained network. 2) A confidence aggregation module that learns optimal strategies adaptively for integrating cross-layer features. We evaluate UniPT with different backbones (e.g., VSEinfty, CLIP4Clip, Clip-ViL, and MDETR) on five challenging vision-and-language tasks (i.e., image-text retrieval, video-text retrieval, visual question answering, compositional question answering, and visual grounding). Extensive ablations on ten datasets have validated that our UniPT can not only dramatically reduce memory consumption and outperform the best memory-efficient competitor, but also achieve higher performance than existing PETL methods in a low-memory scenario on different architectures. Our code is publicly available at: https://github.com/Paranioar/UniPT.

This work explores hypernetworks: an approach of using a one network, also known as a hypernetwork, to generate the weights for another network. Hypernetworks provide an abstraction that is similar to what is found in nature: the relationship between a genotype - the hypernetwork - and a phenotype - the main network. Though they are also reminiscent of HyperNEAT in evolution, our hypernetworks are trained end-to-end with backpropagation and thus are usually faster. The focus of this work is to make hypernetworks useful for deep convolutional networks and long recurrent networks, where hypernetworks can be viewed as relaxed form of weight-sharing across layers. Our main result is that hypernetworks can generate non-shared weights for LSTM and achieve near state-of-the-art results on a variety of sequence modelling tasks including character-level language modelling, handwriting generation and neural machine translation, challenging the weight-sharing paradigm for recurrent networks. Our results also show that hypernetworks applied to convolutional networks still achieve respectable results for image recognition tasks compared to state-of-the-art baseline models while requiring fewer learnable parameters.

Recently, partial Bayesian neural networks (pBNNs), which only consider a subset of the parameters to be stochastic, were shown to perform competitively with full Bayesian neural networks. However, pBNNs are often multi-modal in the latent-variable space and thus challenging to approximate with parametric models. To address this problem, we propose an efficient sampling-based training strategy, wherein the training of a pBNN is formulated as simulating a Feynman--Kac model. We then describe variations of sequential Monte Carlo samplers that allow us to simultaneously estimate the parameters and the latent posterior distribution of this model at a tractable computational cost. We show on various synthetic and real-world datasets that our proposed training scheme outperforms the state of the art in terms of predictive performance.

Deep learning-based object recognition systems can be easily fooled by various adversarial perturbations. One reason for the weak robustness may be that they do not have part-based inductive bias like the human recognition process. Motivated by this, several part-based recognition models have been proposed to improve the adversarial robustness of recognition. However, due to the lack of part annotations, the effectiveness of these methods is only validated on small-scale nonstandard datasets. In this work, we propose PIN++, short for PartImageNet++, a dataset providing high-quality part segmentation annotations for all categories of ImageNet-1K (IN-1K). With these annotations, we build part-based methods directly on the standard IN-1K dataset for robust recognition. Different from previous two-stage part-based models, we propose a Multi-scale Part-supervised Model (MPM), to learn a robust representation with part annotations. Experiments show that MPM yielded better adversarial robustness on the large-scale IN-1K over strong baselines across various attack settings. Furthermore, MPM achieved improved robustness on common corruptions and several out-of-distribution datasets. The dataset, together with these results, enables and encourages researchers to explore the potential of part-based models in more real applications.

We address the challenging problem of efficient inference across many devices and resource constraints, especially on edge devices. Conventional approaches either manually design or use neural architecture search (NAS) to find a specialized neural network and train it from scratch for each case, which is computationally prohibitive (causing CO_2 emission as much as 5 cars' lifetime) thus unscalable. In this work, we propose to train a once-for-all (OFA) network that supports diverse architectural settings by decoupling training and search, to reduce the cost. We can quickly get a specialized sub-network by selecting from the OFA network without additional training. To efficiently train OFA networks, we also propose a novel progressive shrinking algorithm, a generalized pruning method that reduces the model size across many more dimensions than pruning (depth, width, kernel size, and resolution). It can obtain a surprisingly large number of sub-networks (> 10^{19}) that can fit different hardware platforms and latency constraints while maintaining the same level of accuracy as training independently. On diverse edge devices, OFA consistently outperforms state-of-the-art (SOTA) NAS methods (up to 4.0% ImageNet top1 accuracy improvement over MobileNetV3, or same accuracy but 1.5x faster than MobileNetV3, 2.6x faster than EfficientNet w.r.t measured latency) while reducing many orders of magnitude GPU hours and CO_2 emission. In particular, OFA achieves a new SOTA 80.0% ImageNet top-1 accuracy under the mobile setting (<600M MACs). OFA is the winning solution for the 3rd Low Power Computer Vision Challenge (LPCVC), DSP classification track and the 4th LPCVC, both classification track and detection track. Code and 50 pre-trained models (for many devices & many latency constraints) are released at https://github.com/mit-han-lab/once-for-all.

We present Particulate, a feed-forward approach that, given a single static 3D mesh of an everyday object, directly infers all attributes of the underlying articulated structure, including its 3D parts, kinematic structure, and motion constraints. At its core is a transformer network, Part Articulation Transformer, which processes a point cloud of the input mesh using a flexible and scalable architecture to predict all the aforementioned attributes with native multi-joint support. We train the network end-to-end on a diverse collection of articulated 3D assets from public datasets. During inference, Particulate lifts the network's feed-forward prediction to the input mesh, yielding a fully articulated 3D model in seconds, much faster than prior approaches that require per-object optimization. Particulate can also accurately infer the articulated structure of AI-generated 3D assets, enabling full-fledged extraction of articulated 3D objects from a single (real or synthetic) image when combined with an off-the-shelf image-to-3D generator. We further introduce a new challenging benchmark for 3D articulation estimation curated from high-quality public 3D assets, and redesign the evaluation protocol to be more consistent with human preferences. Quantitative and qualitative results show that Particulate significantly outperforms state-of-the-art approaches.

Autonomous driving in high-speed racing, as opposed to urban environments, presents significant challenges in scene understanding due to rapid changes in the track environment. Traditional sequential network approaches may struggle to meet the real-time knowledge and decision-making demands of an autonomous agent covering large displacements in a short time. This paper proposes a novel baseline architecture for developing sophisticated models capable of true hardware-enabled parallelism, achieving neural processing speeds that mirror the agent's high velocity. The proposed model (Parallel Perception Network (PPN)) consists of two independent neural networks, segmentation and reconstruction networks, running parallelly on separate accelerated hardware. The model takes raw 3D point cloud data from the LiDAR sensor as input and converts it into a 2D Bird's Eye View Map on both devices. Each network independently extracts its input features along space and time dimensions and produces outputs parallelly. The proposed method's model is trained on a system with two NVIDIA T4 GPUs, using a combination of loss functions, including edge preservation, and demonstrates a 2x speedup in model inference time compared to a sequential configuration. Implementation is available at: https://github.com/suwesh/Parallel-Perception-Network. Learned parameters of the trained networks are provided at: https://huggingface.co/suwesh/ParallelPerceptionNetwork.

Graph neural networks (GNNs) emerged recently as a standard toolkit for learning from data on graphs. Current GNN designing works depend on immense human expertise to explore different message-passing mechanisms, and require manual enumeration to determine the proper message-passing depth. Inspired by the strong searching capability of neural architecture search (NAS) in CNN, this paper proposes Graph Neural Architecture Search (GNAS) with novel-designed search space. The GNAS can automatically learn better architecture with the optimal depth of message passing on the graph. Specifically, we design Graph Neural Architecture Paradigm (GAP) with tree-topology computation procedure and two types of fine-grained atomic operations (feature filtering and neighbor aggregation) from message-passing mechanism to construct powerful graph network search space. Feature filtering performs adaptive feature selection, and neighbor aggregation captures structural information and calculates neighbors' statistics. Experiments show that our GNAS can search for better GNNs with multiple message-passing mechanisms and optimal message-passing depth. The searched network achieves remarkable improvement over state-of-the-art manual designed and search-based GNNs on five large-scale datasets at three classical graph tasks. Codes can be found at https://github.com/phython96/GNAS-MP.

Continuous latent variables (LVs) are a key ingredient of many generative models, as they allow modelling expressive mixtures with an uncountable number of components. In contrast, probabilistic circuits (PCs) are hierarchical discrete mixtures represented as computational graphs composed of input, sum and product units. Unlike continuous LV models, PCs provide tractable inference but are limited to discrete LVs with categorical (i.e. unordered) states. We bridge these model classes by introducing probabilistic integral circuits (PICs), a new language of computational graphs that extends PCs with integral units representing continuous LVs. In the first place, PICs are symbolic computational graphs and are fully tractable in simple cases where analytical integration is possible. In practice, we parameterise PICs with light-weight neural nets delivering an intractable hierarchical continuous mixture that can be approximated arbitrarily well with large PCs using numerical quadrature. On several distribution estimation benchmarks, we show that such PIC-approximating PCs systematically outperform PCs commonly learned via expectation-maximization or SGD.

Current Scene Graph Generation (SGG) methods explore contextual information to predict relationships among entity pairs. However, due to the diverse visual appearance of numerous possible subject-object combinations, there is a large intra-class variation within each predicate category, e.g., "man-eating-pizza, giraffe-eating-leaf", and the severe inter-class similarity between different classes, e.g., "man-holding-plate, man-eating-pizza", in model's latent space. The above challenges prevent current SGG methods from acquiring robust features for reliable relation prediction. In this paper, we claim that the predicate's category-inherent semantics can serve as class-wise prototypes in the semantic space for relieving the challenges. To the end, we propose the Prototype-based Embedding Network (PE-Net), which models entities/predicates with prototype-aligned compact and distinctive representations and thereby establishes matching between entity pairs and predicates in a common embedding space for relation recognition. Moreover, Prototype-guided Learning (PL) is introduced to help PE-Net efficiently learn such entitypredicate matching, and Prototype Regularization (PR) is devised to relieve the ambiguous entity-predicate matching caused by the predicate's semantic overlap. Extensive experiments demonstrate that our method gains superior relation recognition capability on SGG, achieving new state-of-the-art performances on both Visual Genome and Open Images datasets.

Prototype-based neural networks offer interpretable predictions by comparing inputs to learned, representative signal patterns anchored in training data. While such models have shown promise in the classification of physiological data, it remains unclear whether their prototypes capture an underlying structure that aligns with broader clinical phenotypes. We use a prototype-based deep learning model trained for multi-label ECG classification using the PTB-XL dataset. Then without modification we performed inference on the MIMIC-IV clinical database. We assess whether individual prototypes, trained solely for classification, are associated with hospital discharge diagnoses in the form of phecodes in this external population. Individual prototypes demonstrate significantly stronger and more specific associations with clinical outcomes compared to the classifier's class predictions, NLP-extracted concepts, or broader prototype classes across all phecode categories. Prototype classes with mixed significance patterns exhibit significantly greater intra-class distances (p < 0.0001), indicating the model learned to differentiate clinically meaningful variations within diagnostic categories. The prototypes achieve strong predictive performance across diverse conditions, with AUCs ranging from 0.89 for atrial fibrillation to 0.91 for heart failure, while also showing substantial signal for non-cardiac conditions such as sepsis and renal disease. These findings suggest that prototype-based models can support interpretable digital phenotyping from physiologic time-series data, providing transferable intermediate phenotypes that capture clinically meaningful physiologic signatures beyond their original training objectives.

Current multimodal large language models (MLLMs) struggle to understand circuit schematics due to their limited recognition capabilities. This could be attributed to the lack of high-quality schematic-netlist training data. Existing work such as AMSnet applies schematic parsing to generate netlists. However, these methods rely on hard-coded heuristics and are difficult to apply to complex or noisy schematics in this paper. We therefore propose a novel net detection mechanism based on segmentation with high robustness. The proposed method also recovers positional information, allowing digital reconstruction of schematics. We then expand AMSnet dataset with schematic images from various sources and create AMSnet 2.0. AMSnet 2.0 contains 2,686 circuits with schematic images, Spectre-formatted netlists, OpenAccess digital schematics, and positional information for circuit components and nets, whereas AMSnet only includes 792 circuits with SPICE netlists but no digital schematics.

Heterophilic Graph Neural Networks (HGNNs) have shown promising results for semi-supervised learning tasks on graphs. Notably, most real-world heterophilic graphs are composed of a mixture of nodes with different neighbor patterns, exhibiting local node-level homophilic and heterophilic structures. However, existing works are only devoted to designing better HGNN backbones or architectures for node classification tasks on heterophilic and homophilic graph benchmarks simultaneously, and their analyses of HGNN performance with respect to nodes are only based on the determined data distribution without exploring the effect caused by this structural difference between training and testing nodes. How to learn invariant node representations on heterophilic graphs to handle this structure difference or distribution shifts remains unexplored. In this paper, we first discuss the limitations of previous graph-based invariant learning methods from the perspective of data augmentation. Then, we propose HEI, a framework capable of generating invariant node representations through incorporating heterophily information to infer latent environments without augmentation, which are then used for invariant prediction, under heterophilic graph structure distribution shifts. We theoretically show that our proposed method can achieve guaranteed performance under heterophilic graph structure distribution shifts. Extensive experiments on various benchmarks and backbones can also demonstrate the effectiveness of our method compared with existing state-of-the-art baselines.

Segmenting 3D objects into parts is a long-standing challenge in computer vision. To overcome taxonomy constraints and generalize to unseen 3D objects, recent works turn to open-world part segmentation. These approaches typically transfer supervision from 2D foundation models, such as SAM, by lifting multi-view masks into 3D. However, this indirect paradigm fails to capture intrinsic geometry, leading to surface-only understanding, uncontrolled decomposition, and limited generalization. We present PartSAM, the first promptable part segmentation model trained natively on large-scale 3D data. Following the design philosophy of SAM, PartSAM employs an encoder-decoder architecture in which a triplane-based dual-branch encoder produces spatially structured tokens for scalable part-aware representation learning. To enable large-scale supervision, we further introduce a model-in-the-loop annotation pipeline that curates over five million 3D shape-part pairs from online assets, providing diverse and fine-grained labels. This combination of scalable architecture and diverse 3D data yields emergent open-world capabilities: with a single prompt, PartSAM achieves highly accurate part identification, and in a Segment-Every-Part mode, it automatically decomposes shapes into both surface and internal structures. Extensive experiments show that PartSAM outperforms state-of-the-art methods by large margins across multiple benchmarks, marking a decisive step toward foundation models for 3D part understanding.

Depth is the hallmark of deep neural networks. But more depth means more sequential computation and higher latency. This begs the question -- is it possible to build high-performing "non-deep" neural networks? We show that it is. To do so, we use parallel subnetworks instead of stacking one layer after another. This helps effectively reduce depth while maintaining high performance. By utilizing parallel substructures, we show, for the first time, that a network with a depth of just 12 can achieve top-1 accuracy over 80% on ImageNet, 96% on CIFAR10, and 81% on CIFAR100. We also show that a network with a low-depth (12) backbone can achieve an AP of 48% on MS-COCO. We analyze the scaling rules for our design and show how to increase performance without changing the network's depth. Finally, we provide a proof of concept for how non-deep networks could be used to build low-latency recognition systems. Code is available at https://github.com/imankgoyal/NonDeepNetworks.

Pose-based action recognition is predominantly tackled by approaches which treat the input skeleton in a monolithic fashion, i.e. joints in the pose tree are processed as a whole. However, such approaches ignore the fact that action categories are often characterized by localized action dynamics involving only small subsets of part joint groups involving hands (e.g. `Thumbs up') or legs (e.g. `Kicking'). Although part-grouping based approaches exist, each part group is not considered within the global pose frame, causing such methods to fall short. Further, conventional approaches employ independent modality streams (e.g. joint, bone, joint velocity, bone velocity) and train their network multiple times on these streams, which massively increases the number of training parameters. To address these issues, we introduce PSUMNet, a novel approach for scalable and efficient pose-based action recognition. At the representation level, we propose a global frame based part stream approach as opposed to conventional modality based streams. Within each part stream, the associated data from multiple modalities is unified and consumed by the processing pipeline. Experimentally, PSUMNet achieves state of the art performance on the widely used NTURGB+D 60/120 dataset and dense joint skeleton dataset NTU 60-X/120-X. PSUMNet is highly efficient and outperforms competing methods which use 100%-400% more parameters. PSUMNet also generalizes to the SHREC hand gesture dataset with competitive performance. Overall, PSUMNet's scalability, performance and efficiency makes it an attractive choice for action recognition and for deployment on compute-restricted embedded and edge devices. Code and pretrained models can be accessed at https://github.com/skelemoa/psumnet

In this paper, we present a new MTL framework that searches for structures optimized for multiple tasks with diverse graph topologies and shares features among tasks. We design a restricted DAG-based central network with read-in/read-out layers to build topologically diverse task-adaptive structures while limiting search space and time. We search for a single optimized network that serves as multiple task adaptive sub-networks using our three-stage training process. To make the network compact and discretized, we propose a flow-based reduction algorithm and a squeeze loss used in the training process. We evaluate our optimized network on various public MTL datasets and show ours achieves state-of-the-art performance. An extensive ablation study experimentally validates the effectiveness of the sub-module and schemes in our framework.

Prior-data fitted networks (PFNs) were recently proposed as a new paradigm for machine learning. Instead of training the network to an observed training set, a fixed model is pre-trained offline on small, simulated training sets from a variety of tasks. The pre-trained model is then used to infer class probabilities in-context on fresh training sets with arbitrary size and distribution. Empirically, PFNs achieve state-of-the-art performance on tasks with similar size to the ones used in pre-training. Surprisingly, their accuracy further improves when passed larger data sets during inference. This article establishes a theoretical foundation for PFNs and illuminates the statistical mechanisms governing their behavior. While PFNs are motivated by Bayesian ideas, a purely frequentistic interpretation of PFNs as pre-tuned, but untrained predictors explains their behavior. A predictor's variance vanishes if its sensitivity to individual training samples does and the bias vanishes only if it is appropriately localized around the test feature. The transformer architecture used in current PFN implementations ensures only the former. These findings shall prove useful for designing architectures with favorable empirical behavior.

Existing deep convolutional neural networks (CNNs) require a fixed-size (e.g., 224x224) input image. This requirement is "artificial" and may reduce the recognition accuracy for the images or sub-images of an arbitrary size/scale. In this work, we equip the networks with another pooling strategy, "spatial pyramid pooling", to eliminate the above requirement. The new network structure, called SPP-net, can generate a fixed-length representation regardless of image size/scale. Pyramid pooling is also robust to object deformations. With these advantages, SPP-net should in general improve all CNN-based image classification methods. On the ImageNet 2012 dataset, we demonstrate that SPP-net boosts the accuracy of a variety of CNN architectures despite their different designs. On the Pascal VOC 2007 and Caltech101 datasets, SPP-net achieves state-of-the-art classification results using a single full-image representation and no fine-tuning. The power of SPP-net is also significant in object detection. Using SPP-net, we compute the feature maps from the entire image only once, and then pool features in arbitrary regions (sub-images) to generate fixed-length representations for training the detectors. This method avoids repeatedly computing the convolutional features. In processing test images, our method is 24-102x faster than the R-CNN method, while achieving better or comparable accuracy on Pascal VOC 2007. In ImageNet Large Scale Visual Recognition Challenge (ILSVRC) 2014, our methods rank #2 in object detection and #3 in image classification among all 38 teams. This manuscript also introduces the improvement made for this competition.

Scene parsing, or recognizing and segmenting objects and stuff in an image, is one of the key problems in computer vision. Despite the community's efforts in data collection, there are still few image datasets covering a wide range of scenes and object categories with dense and detailed annotations for scene parsing. In this paper, we introduce and analyze the ADE20K dataset, spanning diverse annotations of scenes, objects, parts of objects, and in some cases even parts of parts. A generic network design called Cascade Segmentation Module is then proposed to enable the segmentation networks to parse a scene into stuff, objects, and object parts in a cascade. We evaluate the proposed module integrated within two existing semantic segmentation networks, yielding significant improvements for scene parsing. We further show that the scene parsing networks trained on ADE20K can be applied to a wide variety of scenes and objects.

Recently, the emergence of diffusion models has opened up new opportunities for single-view reconstruction. However, all the existing methods represent the target object as a closed mesh devoid of any structural information, thus neglecting the part-based structure, which is crucial for many downstream applications, of the reconstructed shape. Moreover, the generated meshes usually suffer from large noises, unsmooth surfaces, and blurry textures, making it challenging to obtain satisfactory part segments using 3D segmentation techniques. In this paper, we present Part123, a novel framework for part-aware 3D reconstruction from a single-view image. We first use diffusion models to generate multiview-consistent images from a given image, and then leverage Segment Anything Model (SAM), which demonstrates powerful generalization ability on arbitrary objects, to generate multiview segmentation masks. To effectively incorporate 2D part-based information into 3D reconstruction and handle inconsistency, we introduce contrastive learning into a neural rendering framework to learn a part-aware feature space based on the multiview segmentation masks. A clustering-based algorithm is also developed to automatically derive 3D part segmentation results from the reconstructed models. Experiments show that our method can generate 3D models with high-quality segmented parts on various objects. Compared to existing unstructured reconstruction methods, the part-aware 3D models from our method benefit some important applications, including feature-preserving reconstruction, primitive fitting, and 3D shape editing.

Generalized category discovery (GCD) is a pragmatic but underexplored problem, which requires models to automatically cluster and discover novel categories by leveraging the labeled samples from old classes. The challenge is that unlabeled data contain both old and new classes. Early works leveraging pseudo-labeling with parametric classifiers handle old and new classes separately, which brings about imbalanced accuracy between them. Recent methods employing contrastive learning neglect potential positives and are decoupled from the clustering objective, leading to biased representations and sub-optimal results. To address these issues, we introduce a unified and unbiased prototype learning framework, namely ProtoGCD, wherein old and new classes are modeled with joint prototypes and unified learning objectives, {enabling unified modeling between old and new classes}. Specifically, we propose a dual-level adaptive pseudo-labeling mechanism to mitigate confirmation bias, together with two regularization terms to collectively help learn more suitable representations for GCD. Moreover, for practical considerations, we devise a criterion to estimate the number of new classes. Furthermore, we extend ProtoGCD to detect unseen outliers, achieving task-level unification. Comprehensive experiments show that ProtoGCD achieves state-of-the-art performance on both generic and fine-grained datasets. The code is available at https://github.com/mashijie1028/ProtoGCD.

Recent work has shown that depth estimation from a stereo pair of images can be formulated as a supervised learning task to be resolved with convolutional neural networks (CNNs). However, current architectures rely on patch-based Siamese networks, lacking the means to exploit context information for finding correspondence in illposed regions. To tackle this problem, we propose PSMNet, a pyramid stereo matching network consisting of two main modules: spatial pyramid pooling and 3D CNN. The spatial pyramid pooling module takes advantage of the capacity of global context information by aggregating context in different scales and locations to form a cost volume. The 3D CNN learns to regularize cost volume using stacked multiple hourglass networks in conjunction with intermediate supervision. The proposed approach was evaluated on several benchmark datasets. Our method ranked first in the KITTI 2012 and 2015 leaderboards before March 18, 2018. The codes of PSMNet are available at: https://github.com/JiaRenChang/PSMNet.

Graph pooling compresses graph information into a compact representation. State-of-the-art graph pooling methods follow a hierarchical approach, which reduces the graph size step-by-step. These methods must balance memory efficiency with preserving node information, depending on whether they use node dropping or node clustering. Additionally, fixed pooling ratios or numbers of pooling layers are predefined for all graphs, which prevents personalized pooling structures from being captured for each individual graph. In this work, inspired by bottom-up grammar induction, we propose an efficient graph parsing algorithm to infer the pooling structure, which then drives graph pooling. The resulting Graph Parsing Network (GPN) adaptively learns personalized pooling structure for each individual graph. GPN benefits from the discrete assignments generated by the graph parsing algorithm, allowing good memory efficiency while preserving node information intact. Experimental results on standard benchmarks demonstrate that GPN outperforms state-of-the-art graph pooling methods in graph classification tasks while being able to achieve competitive performance in node classification tasks. We also conduct a graph reconstruction task to show GPN's ability to preserve node information and measure both memory and time efficiency through relevant tests.

Pretraining a neural network on a large dataset is becoming a cornerstone in machine learning that is within the reach of only a few communities with large-resources. We aim at an ambitious goal of democratizing pretraining. Towards that goal, we train and release a single neural network that can predict high quality ImageNet parameters of other neural networks. By using predicted parameters for initialization we are able to boost training of diverse ImageNet models available in PyTorch. When transferred to other datasets, models initialized with predicted parameters also converge faster and reach competitive final performance.

We propose a lightweight CPU network based on the MKLDNN acceleration strategy, named PP-LCNet, which improves the performance of lightweight models on multiple tasks. This paper lists technologies which can improve network accuracy while the latency is almost constant. With these improvements, the accuracy of PP-LCNet can greatly surpass the previous network structure with the same inference time for classification. As shown in Figure 1, it outperforms the most state-of-the-art models. And for downstream tasks of computer vision, it also performs very well, such as object detection, semantic segmentation, etc. All our experiments are implemented based on PaddlePaddle. Code and pretrained models are available at PaddleClas.

It has been shown that a message passing neural networks (MPNNs), a popular family of neural networks for graph-structured data, are at most as expressive as the first-order Weisfeiler-Leman (1-WL) graph isomorphism test, which has motivated the development of more expressive architectures. In this work, we analyze if the limited expressiveness is actually a limiting factor for MPNNs and other WL-based models in standard graph datasets. Interestingly, we find that the expressiveness of WL is sufficient to identify almost all graphs in most datasets. Moreover, we find that the classification accuracy upper bounds are often close to 100\%. Furthermore, we find that simple WL-based neural networks and several MPNNs can be fitted to several datasets. In sum, we conclude that the performance of WL/MPNNs is not limited by their expressiveness in practice.

Node classification is a classical graph machine learning task on which Graph Neural Networks (GNNs) have recently achieved strong results. However, it is often believed that standard GNNs only work well for homophilous graphs, i.e., graphs where edges tend to connect nodes of the same class. Graphs without this property are called heterophilous, and it is typically assumed that specialized methods are required to achieve strong performance on such graphs. In this work, we challenge this assumption. First, we show that the standard datasets used for evaluating heterophily-specific models have serious drawbacks, making results obtained by using them unreliable. The most significant of these drawbacks is the presence of a large number of duplicate nodes in the datasets Squirrel and Chameleon, which leads to train-test data leakage. We show that removing duplicate nodes strongly affects GNN performance on these datasets. Then, we propose a set of heterophilous graphs of varying properties that we believe can serve as a better benchmark for evaluating the performance of GNNs under heterophily. We show that standard GNNs achieve strong results on these heterophilous graphs, almost always outperforming specialized models. Our datasets and the code for reproducing our experiments are available at https://github.com/yandex-research/heterophilous-graphs

The heterogeneous network is a robust data abstraction that can model entities of different types interacting in various ways. Such heterogeneity brings rich semantic information but presents nontrivial challenges in aggregating the heterogeneous relationships between objects - especially those of higher-order indirect relations. Recent graph neural network approaches for representation learning on heterogeneous networks typically employ the attention mechanism, which is often only optimized for predictions based on direct links. Furthermore, even though most deep learning methods can aggregate higher-order information by building deeper models, such a scheme can diminish the degree of interpretability. To overcome these challenges, we explore an architecture - Layer-stacked ATTention Embedding (LATTE) - that automatically decomposes higher-order meta relations at each layer to extract the relevant heterogeneous neighborhood structures for each node. Additionally, by successively stacking layer representations, the learned node embedding offers a more interpretable aggregation scheme for nodes of different types at different neighborhood ranges. We conducted experiments on several benchmark heterogeneous network datasets. In both transductive and inductive node classification tasks, LATTE can achieve state-of-the-art performance compared to existing approaches, all while offering a lightweight model. With extensive experimental analyses and visualizations, the framework can demonstrate the ability to extract informative insights on heterogeneous networks.

In this paper, we introduce ProtoOcc, a novel 3D occupancy prediction model designed to predict the occupancy states and semantic classes of 3D voxels through a deep semantic understanding of scenes. ProtoOcc consists of two main components: the Dual Branch Encoder (DBE) and the Prototype Query Decoder (PQD). The DBE produces a new 3D voxel representation by combining 3D voxel and BEV representations across multiple scales through a dual branch structure. This design enhances both performance and computational efficiency by providing a large receptive field for the BEV representation while maintaining a smaller receptive field for the voxel representation. The PQD introduces Prototype Queries to accelerate the decoding process. Scene-Adaptive Prototypes are derived from the 3D voxel features of input sample, while Scene-Agnostic Prototypes are computed by applying Scene-Adaptive Prototypes to an Exponential Moving Average during the training phase. By using these prototype-based queries for decoding, we can directly predict 3D occupancy in a single step, eliminating the need for iterative Transformer decoding. Additionally, we propose the Robust Prototype Learning, which injects noise into prototype generation process and trains the model to denoise during the training phase. ProtoOcc achieves state-of-the-art performance with 45.02% mIoU on the Occ3D-nuScenes benchmark. For single-frame method, it reaches 39.56% mIoU with an inference speed of 12.83 FPS on an NVIDIA RTX 3090. Our code can be found at https://github.com/SPA-junghokim/ProtoOcc.

In this paper, we present an integral pre-training framework based on masked image modeling (MIM). We advocate for pre-training the backbone and neck jointly so that the transfer gap between MIM and downstream recognition tasks is minimal. We make two technical contributions. First, we unify the reconstruction and recognition necks by inserting a feature pyramid into the pre-training stage. Second, we complement mask image modeling (MIM) with masked feature modeling (MFM) that offers multi-stage supervision to the feature pyramid. The pre-trained models, termed integrally pre-trained transformer pyramid networks (iTPNs), serve as powerful foundation models for visual recognition. In particular, the base/large-level iTPN achieves an 86.2%/87.8% top-1 accuracy on ImageNet-1K, a 53.2%/55.6% box AP on COCO object detection with 1x training schedule using Mask-RCNN, and a 54.7%/57.7% mIoU on ADE20K semantic segmentation using UPerHead -- all these results set new records. Our work inspires the community to work on unifying upstream pre-training and downstream fine-tuning tasks. Code and the pre-trained models will be released at https://github.com/sunsmarterjie/iTPN.

Protein function prediction is a crucial task in bioinformatics, with significant implications for understanding biological processes and disease mechanisms. While the relationship between sequence and function has been extensively explored, translating protein structure to function continues to present substantial challenges. Various models, particularly, CNN and graph-based deep learning approaches that integrate structural and functional data, have been proposed to address these challenges. However, these methods often fall short in elucidating the functional significance of key residues essential for protein functionality, as they predominantly adopt a retrospective perspective, leading to suboptimal performance. Inspired by region proposal networks in computer vision, we introduce the Protein Region Proposal Network (ProteinRPN) for accurate protein function prediction. Specifically, the region proposal module component of ProteinRPN identifies potential functional regions (anchors) which are refined through the hierarchy-aware node drop pooling layer favoring nodes with defined secondary structures and spatial proximity. The representations of the predicted functional nodes are enriched using attention mechanisms and subsequently fed into a Graph Multiset Transformer, which is trained with supervised contrastive (SupCon) and InfoNCE losses on perturbed protein structures. Our model demonstrates significant improvements in predicting Gene Ontology (GO) terms, effectively localizing functional residues within protein structures. The proposed framework provides a robust, scalable solution for protein function annotation, advancing the understanding of protein structure-function relationships in computational biology.

Polygonal meshes are ubiquitous, but have only played a relatively minor role in the deep learning revolution. State-of-the-art neural generative models for 3D shapes learn implicit functions and generate meshes via expensive iso-surfacing. We overcome these challenges by employing a classical spatial data structure from computer graphics, Binary Space Partitioning (BSP), to facilitate 3D learning. The core operation of BSP involves recursive subdivision of 3D space to obtain convex sets. By exploiting this property, we devise BSP-Net, a network that learns to represent a 3D shape via convex decomposition without supervision. The network is trained to reconstruct a shape using a set of convexes obtained from a BSP-tree built over a set of planes, where the planes and convexes are both defined by learned network weights. BSP-Net directly outputs polygonal meshes from the inferred convexes. The generated meshes are watertight, compact (i.e., low-poly), and well suited to represent sharp geometry. We show that the reconstruction quality by BSP-Net is competitive with those from state-of-the-art methods while using much fewer primitives. We also explore variations to BSP-Net including using a more generic decoder for reconstruction, more general primitives than planes, as well as training a generative model with variational auto-encoders. Code is available at https://github.com/czq142857/BSP-NET-original.

Text-to-image generation from large generative models like Stable Diffusion, DALLE-2, etc., have become a common base for various tasks due to their superior quality and extensive knowledge bases. As image composition and generation are creative processes the artists need control over various parts of the images being generated. We find that just adding details about parts in the base text prompt either leads to an entirely different image (e.g., missing/incorrect identity) or the extra part details simply being ignored. To mitigate these issues, we introduce PartCraft, which enables image generation based on fine-grained part-level details specified for objects in the base text prompt. This allows more control for artists and enables novel object compositions by combining distinctive object parts. PartCraft first localizes object parts by denoising the object region from a specific diffusion process. This enables each part token to be localized to the right object region. After obtaining part masks, we run a localized diffusion process in each of the part regions based on fine-grained part descriptions and combine them to produce the final image. All the stages of PartCraft are based on repurposing a pre-trained diffusion model, which enables it to generalize across various domains without training. We demonstrate the effectiveness of part-level control provided by PartCraft qualitatively through visual examples and quantitatively in comparison to the contemporary baselines.

It is natural to represent objects in terms of their parts. This has the potential to improve the performance of algorithms for object recognition and segmentation but can also help for downstream tasks like activity recognition. Research on part-based models, however, is hindered by the lack of datasets with per-pixel part annotations. This is partly due to the difficulty and high cost of annotating object parts so it has rarely been done except for humans (where there exists a big literature on part-based models). To help address this problem, we propose PartImageNet, a large, high-quality dataset with part segmentation annotations. It consists of 158 classes from ImageNet with approximately 24,000 images. PartImageNet is unique because it offers part-level annotations on a general set of classes including non-rigid, articulated objects, while having an order of magnitude larger size compared to existing part datasets (excluding datasets of humans). It can be utilized for many vision tasks including Object Segmentation, Semantic Part Segmentation, Few-shot Learning and Part Discovery. We conduct comprehensive experiments which study these tasks and set up a set of baselines. The dataset and scripts are released at https://github.com/TACJu/PartImageNet.

Graph neural networks achieve high accuracy in link prediction by jointly leveraging graph topology and node attributes. Topology, however, is represented indirectly; state-of-the-art methods based on subgraph classification label nodes with distance to the target link, so that, although topological information is present, it is tempered by pooling. This makes it challenging to leverage features like loops and motifs associated with network formation mechanisms. We propose a link prediction algorithm based on a new pooling scheme called WalkPool. WalkPool combines the expressivity of topological heuristics with the feature-learning ability of neural networks. It summarizes a putative link by random walk probabilities of adjacent paths. Instead of extracting transition probabilities from the original graph, it computes the transition matrix of a "predictive" latent graph by applying attention to learned features; this may be interpreted as feature-sensitive topology fingerprinting. WalkPool can leverage unsupervised node features or be combined with GNNs and trained end-to-end. It outperforms state-of-the-art methods on all common link prediction benchmarks, both homophilic and heterophilic, with and without node attributes. Applying WalkPool to a set of unsupervised GNNs significantly improves prediction accuracy, suggesting that it may be used as a general-purpose graph pooling scheme.

Compositional Pattern Producing Networks (CPPNs) are differentiable networks that independently map (x, y) pixel coordinates to (r, g, b) colour values. Recently, CPPNs have been used for creating interesting imagery for creative purposes, e.g., neural art. However their architecture biases generated images to be overly smooth, lacking high-frequency detail. In this work, we extend CPPNs to explicitly model the frequency information for each pixel output, capturing frequencies beyond the DC component. We show that our Fourier-CPPNs (F-CPPNs) provide improved visual detail for image synthesis.

The recently introduced panoptic segmentation task has renewed our community's interest in unifying the tasks of instance segmentation (for thing classes) and semantic segmentation (for stuff classes). However, current state-of-the-art methods for this joint task use separate and dissimilar networks for instance and semantic segmentation, without performing any shared computation. In this work, we aim to unify these methods at the architectural level, designing a single network for both tasks. Our approach is to endow Mask R-CNN, a popular instance segmentation method, with a semantic segmentation branch using a shared Feature Pyramid Network (FPN) backbone. Surprisingly, this simple baseline not only remains effective for instance segmentation, but also yields a lightweight, top-performing method for semantic segmentation. In this work, we perform a detailed study of this minimally extended version of Mask R-CNN with FPN, which we refer to as Panoptic FPN, and show it is a robust and accurate baseline for both tasks. Given its effectiveness and conceptual simplicity, we hope our method can serve as a strong baseline and aid future research in panoptic segmentation.

Large-language models (LLMs) have demonstrated powerful problem-solving capabilities, in particular when organized in multi-agent systems. However, the advent of such systems also raises several questions on the ability of a complex network of agents to effectively self-organize and collaborate. While measuring performance on standard reasoning benchmarks indicates how well multi-agent systems can solve reasoning tasks, it is unclear whether these systems are able to leverage their topology effectively. Here, we propose AgentsNet, a new benchmark for multi-agent reasoning. By drawing inspiration from classical problems in distributed systems and graph theory, AgentsNet measures the ability of multi-agent systems to collaboratively form strategies for problem-solving, self-organization, and effective communication given a network topology. We evaluate a variety of baseline methods on AgentsNet including homogeneous networks of agents which first have to agree on basic protocols for organization and communication. We find that some frontier LLMs are already demonstrating strong performance for small networks but begin to fall off once the size of the network scales. While existing multi-agent benchmarks cover at most 2-5 agents, AgentsNet is practically unlimited in size and can scale with new generations of LLMs. As such, we also probe frontier models in a setup with up to 100 agents.

We present ProtoViT, a method for interpretable image classification combining deep learning and case-based reasoning. This method classifies an image by comparing it to a set of learned prototypes, providing explanations of the form ``this looks like that.'' In our model, a prototype consists of parts, which can deform over irregular geometries to create a better comparison between images. Unlike existing models that rely on Convolutional Neural Network (CNN) backbones and spatially rigid prototypes, our model integrates Vision Transformer (ViT) backbones into prototype based models, while offering spatially deformed prototypes that not only accommodate geometric variations of objects but also provide coherent and clear prototypical feature representations with an adaptive number of prototypical parts. Our experiments show that our model can generally achieve higher performance than the existing prototype based models. Our comprehensive analyses ensure that the prototypes are consistent and the interpretations are faithful.

In this paper, we proposed a effective but extensible residual one-dimensional convolution neural network as base network, based on the this network, we proposed four subnets to explore the features of skeleton sequences from each aspect. Given a skeleton sequences, the spatial information are encoded into the skeleton joints coordinate in a frame and the temporal information are present by multiple frames. Limited by the skeleton sequence representations, two-dimensional convolution neural network cannot be used directly, we chose one-dimensional convolution layer as the basic layer. Each sub network could extract discriminative features from different aspects. Our first subnet is a two-stream network which could explore both temporal and spatial information. The second is a body-parted network, which could gain micro spatial features and macro temporal features. The third one is an attention network, the main contribution of which is to focus the key frames and feature channels which high related with the action classes in a skeleton sequence. One frame-difference network, as the last subnet, mainly processes the joints changes between the consecutive frames. Four subnets ensemble together by late fusion, the key problem of ensemble method is each subnet should have a certain performance and between the subnets, there are diversity existing. Each subnet shares a wellperformance basenet and differences between subnets guaranteed the diversity. Experimental results show that the ensemble network gets a state-of-the-art performance on three widely used datasets.

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

We address the challenging problem of semi-supervised learning in the context of multiple visual interpretations of the world by finding consensus in a graph of neural networks. Each graph node is a scene interpretation layer, while each edge is a deep net that transforms one layer at one node into another from a different node. During the supervised phase edge networks are trained independently. During the next unsupervised stage edge nets are trained on the pseudo-ground truth provided by consensus among multiple paths that reach the nets' start and end nodes. These paths act as ensemble teachers for any given edge and strong consensus is used for high-confidence supervisory signal. The unsupervised learning process is repeated over several generations, in which each edge becomes a "student" and also part of different ensemble "teachers" for training other students. By optimizing such consensus between different paths, the graph reaches consistency and robustness over multiple interpretations and generations, in the face of unknown labels. We give theoretical justifications of the proposed idea and validate it on a large dataset. We show how prediction of different representations such as depth, semantic segmentation, surface normals and pose from RGB input could be effectively learned through self-supervised consensus in our graph. We also compare to state-of-the-art methods for multi-task and semi-supervised learning and show superior performance.

Ear biometrics offer a stable and contactless modality for identity recognition, yet their effectiveness remains limited by the scarcity of annotated data and significant intra-class variability. Existing methods typically extract identity features from individual impressions in isolation, restricting their ability to capture consistent and discriminative representations. To overcome these limitations, a few-shot learning framework, ProtoN, is proposed to jointly process multiple impressions of an identity using a graph-based approach. Each impression is represented as a node in a class-specific graph, alongside a learnable prototype node that encodes identity-level information. This graph is processed by a Prototype Graph Neural Network (PGNN) layer, specifically designed to refine both impression and prototype representations through a dual-path message-passing mechanism. To further enhance discriminative power, the PGNN incorporates a cross-graph prototype alignment strategy that improves class separability by enforcing intra-class compactness while maintaining inter-class distinction. Additionally, a hybrid loss function is employed to balance episodic and global classification objectives, thereby improving the overall structure of the embedding space. Extensive experiments on five benchmark ear datasets demonstrate that ProtoN achieves state-of-the-art performance, with Rank-1 identification accuracy of up to 99.60% and an Equal Error Rate (EER) as low as 0.025, showing the effectiveness for few-shot ear recognition under limited data conditions.

Integrating a notion of symmetry into point cloud neural networks is a provably effective way to improve their generalization capability. Of particular interest are E(3) equivariant point cloud networks where Euclidean transformations applied to the inputs are preserved in the outputs. Recent efforts aim to extend networks that are E(3) equivariant, to accommodate inputs made of multiple parts, each of which exhibits local E(3) symmetry. In practical settings, however, the partitioning into individually transforming regions is unknown a priori. Errors in the partition prediction would unavoidably map to errors in respecting the true input symmetry. Past works have proposed different ways to predict the partition, which may exhibit uncontrolled errors in their ability to maintain equivariance to the actual partition. To this end, we introduce APEN: a general framework for constructing approximate piecewise-E(3) equivariant point networks. Our primary insight is that functions that are equivariant with respect to a finer partition will also maintain equivariance in relation to the true partition. Leveraging this observation, we propose a design where the equivariance approximation error at each layers can be bounded solely in terms of (i) uncertainty quantification of the partition prediction, and (ii) bounds on the probability of failing to suggest a proper subpartition of the ground truth one. We demonstrate the effectiveness of APEN using two data types exemplifying part-based symmetry: (i) real-world scans of room scenes containing multiple furniture-type objects; and, (ii) human motions, characterized by articulated parts exhibiting rigid movement. Our empirical results demonstrate the advantage of integrating piecewise E(3) symmetry into network design, showing a distinct improvement in generalization compared to prior works for both classification and segmentation tasks.

We introduce and train distributed neural architectures (DNA) in vision and language domains. DNAs are initialized with a proto-architecture that consists of (transformer, MLP, attention, etc.) modules and routers. Any token (or patch) can traverse any series of modules in any order. DNAs are a natural generalization of the sparse methods such as Mixture-of-Experts, Mixture-of-Depths, parameter sharing, etc. Computation and communication patterns of DNA modules are learnt end-to-end during training and depend on the content and context of each token (or patch). These patterns can be shaped by further requirements added to the optimization objective such as compute/memory efficiency or load balancing. We empirically show that (i) trained DNAs are competitive with the dense baselines in both domains and (ii) compute efficiency/parameter sharing can be learnt from data. Next, we analyze the emergent connectivity and computation patterns in the trained DNAs. We find that the paths that tokens take through the models are themselves distributed according to a power-law. We show that some paths (or, equivalently, groups of modules) show emergent specialization. Finally, we demonstrate that models learn to allocate compute and active parameters in an interpretable way.

Recent advances in 3D generation have transitioned from multi-view 2D rendering approaches to 3D-native latent diffusion frameworks that exploit geometric priors in ground truth data. Despite progress, three key limitations persist: (1) Single-latent representations fail to capture complex multi-part geometries, causing detail degradation; (2) Holistic latent coding neglects part independence and interrelationships critical for compositional design; (3) Global conditioning mechanisms lack fine-grained controllability. Inspired by human 3D design workflows, we propose CoPart - a part-aware diffusion framework that decomposes 3D objects into contextual part latents for coherent multi-part generation. This paradigm offers three advantages: i) Reduces encoding complexity through part decomposition; ii) Enables explicit part relationship modeling; iii) Supports part-level conditioning. We further develop a mutual guidance strategy to fine-tune pre-trained diffusion models for joint part latent denoising, ensuring both geometric coherence and foundation model priors. To enable large-scale training, we construct Partverse - a novel 3D part dataset derived from Objaverse through automated mesh segmentation and human-verified annotations. Extensive experiments demonstrate CoPart's superior capabilities in part-level editing, articulated object generation, and scene composition with unprecedented controllability.

The creation of 3D assets with explicit, editable part structures is crucial for advancing interactive applications, yet most generative methods produce only monolithic shapes, limiting their utility. We introduce OmniPart, a novel framework for part-aware 3D object generation designed to achieve high semantic decoupling among components while maintaining robust structural cohesion. OmniPart uniquely decouples this complex task into two synergistic stages: (1) an autoregressive structure planning module generates a controllable, variable-length sequence of 3D part bounding boxes, critically guided by flexible 2D part masks that allow for intuitive control over part decomposition without requiring direct correspondences or semantic labels; and (2) a spatially-conditioned rectified flow model, efficiently adapted from a pre-trained holistic 3D generator, synthesizes all 3D parts simultaneously and consistently within the planned layout. Our approach supports user-defined part granularity, precise localization, and enables diverse downstream applications. Extensive experiments demonstrate that OmniPart achieves state-of-the-art performance, paving the way for more interpretable, editable, and versatile 3D content.

One paradigm for learning from few labeled examples while making best use of a large amount of unlabeled data is unsupervised pretraining followed by supervised fine-tuning. Although this paradigm uses unlabeled data in a task-agnostic way, in contrast to common approaches to semi-supervised learning for computer vision, we show that it is surprisingly effective for semi-supervised learning on ImageNet. A key ingredient of our approach is the use of big (deep and wide) networks during pretraining and fine-tuning. We find that, the fewer the labels, the more this approach (task-agnostic use of unlabeled data) benefits from a bigger network. After fine-tuning, the big network can be further improved and distilled into a much smaller one with little loss in classification accuracy by using the unlabeled examples for a second time, but in a task-specific way. The proposed semi-supervised learning algorithm can be summarized in three steps: unsupervised pretraining of a big ResNet model using SimCLRv2, supervised fine-tuning on a few labeled examples, and distillation with unlabeled examples for refining and transferring the task-specific knowledge. This procedure achieves 73.9% ImageNet top-1 accuracy with just 1% of the labels (le13 labeled images per class) using ResNet-50, a 10times improvement in label efficiency over the previous state-of-the-art. With 10% of labels, ResNet-50 trained with our method achieves 77.5% top-1 accuracy, outperforming standard supervised training with all of the labels.

We introduce SPAFormer, an innovative model designed to overcome the combinatorial explosion challenge in the 3D Part Assembly (3D-PA) task. This task requires accurate prediction of each part's poses in sequential steps. As the number of parts increases, the possible assembly combinations increase exponentially, leading to a combinatorial explosion that severely hinders the efficacy of 3D-PA. SPAFormer addresses this problem by leveraging weak constraints from assembly sequences, effectively reducing the solution space's complexity. Since the sequence of parts conveys construction rules similar to sentences structured through words, our model explores both parallel and autoregressive generation. We further strengthen SPAFormer through knowledge enhancement strategies that utilize the attributes of parts and their sequence information, enabling it to capture the inherent assembly pattern and relationships among sequentially ordered parts. We also construct a more challenging benchmark named PartNet-Assembly covering 21 varied categories to more comprehensively validate the effectiveness of SPAFormer. Extensive experiments demonstrate the superior generalization capabilities of SPAFormer, particularly with multi-tasking and in scenarios requiring long-horizon assembly. Code is available at https://github.com/xuboshen/SPAFormer.

Conditional computing processes an input using only part of the neural network's computational units. Learning to execute parts of a deep convolutional network by routing individual samples has several advantages: Reducing the computational burden is an obvious advantage. Furthermore, if similar classes are routed to the same path, that part of the network learns to discriminate between finer differences and better classification accuracies can be attained with fewer parameters. Recently, several papers have exploited this idea to take a particular child of a node in a tree-shaped network or to skip parts of a network. In this work, we follow a Trellis-based approach for generating specific execution paths in a deep convolutional neural network. We have designed routing mechanisms that use differentiable information gain-based cost functions to determine which subset of features in a convolutional layer will be executed. We call our method Conditional Information Gain Trellis (CIGT). We show that our conditional execution mechanism achieves comparable or better model performance compared to unconditional baselines, using only a fraction of the computational resources.

Training multiple tasks jointly in one deep network yields reduced latency during inference and better performance over the single-task counterpart by sharing certain layers of a network. However, over-sharing a network could erroneously enforce over-generalization, causing negative knowledge transfer across tasks. Prior works rely on human intuition or pre-computed task relatedness scores for ad hoc branching structures. They provide sub-optimal end results and often require huge efforts for the trial-and-error process. In this work, we present an automated multi-task learning algorithm that learns where to share or branch within a network, designing an effective network topology that is directly optimized for multiple objectives across tasks. Specifically, we propose a novel tree-structured design space that casts a tree branching operation as a gumbel-softmax sampling procedure. This enables differentiable network splitting that is end-to-end trainable. We validate the proposed method on controlled synthetic data, CelebA, and Taskonomy.

Weight-sharing supernet has become a vital component for performance estimation in the state-of-the-art (SOTA) neural architecture search (NAS) frameworks. Although supernet can directly generate different subnetworks without retraining, there is no guarantee for the quality of these subnetworks because of weight sharing. In NLP tasks such as machine translation and pre-trained language modeling, we observe that given the same model architecture, there is a large performance gap between supernet and training from scratch. Hence, supernet cannot be directly used and retraining is necessary after finding the optimal architectures. In this work, we propose mixture-of-supernets, a generalized supernet formulation where mixture-of-experts (MoE) is adopted to enhance the expressive power of the supernet model, with negligible training overhead. In this way, different subnetworks do not share the model weights directly, but through an architecture-based routing mechanism. As a result, model weights of different subnetworks are customized towards their specific architectures and the weight generation is learned by gradient descent. Compared to existing weight-sharing supernet for NLP, our method can minimize the retraining time, greatly improving training efficiency. In addition, the proposed method achieves the SOTA performance in NAS for building fast machine translation models, yielding better latency-BLEU tradeoff compared to HAT, state-of-the-art NAS for MT. We also achieve the SOTA performance in NAS for building memory-efficient task-agnostic BERT models, outperforming NAS-BERT and AutoDistil in various model sizes.

Meta-learning usually refers to a learning algorithm that learns from other learning algorithms. The problem of uncertainty in the predictions of neural networks shows that the world is only partially predictable and a learned neural network cannot generalize to its ever-changing surrounding environments. Therefore, the question is how a predictive model can represent multiple predictions simultaneously. We aim to provide a fundamental understanding of learning to learn in the contents of Decentralized Neural Networks (Decentralized NNs) and we believe this is one of the most important questions and prerequisites to building an autonomous intelligence machine. To this end, we shall demonstrate several pieces of evidence for tackling the problems above with Meta Learning in Decentralized NNs. In particular, we will present three different approaches to building such a decentralized learning system: (1) learning from many replica neural networks, (2) building the hierarchy of neural networks for different functions, and (3) leveraging different modality experts to learn cross-modal representations.

Passive acoustic monitoring (PAM) is crucial for bioacoustic research, enabling non-invasive species tracking and biodiversity monitoring. Citizen science platforms like Xeno-Canto provide large annotated datasets from focal recordings, where the target species is intentionally recorded. However, PAM requires monitoring in passive soundscapes, creating a domain shift between focal and passive recordings, which challenges deep learning models trained on focal recordings. To address this, we leverage supervised contrastive learning to improve domain generalization in bird sound classification, enforcing domain invariance across same-class examples from different domains. We also propose ProtoCLR (Prototypical Contrastive Learning of Representations), which reduces the computational complexity of the SupCon loss by comparing examples to class prototypes instead of pairwise comparisons. Additionally, we present a new few-shot classification evaluation based on BIRB, a large-scale bird sound benchmark to evaluate bioacoustic pre-trained models.

We propose a novel framework for few-shot learning by leveraging large-scale vision-language models such as CLIP. Motivated by unimodal prototypical networks for few-shot learning, we introduce Proto-CLIP which utilizes image prototypes and text prototypes for few-shot learning. Specifically, Proto-CLIP adapts the image and text encoder embeddings from CLIP in a joint fashion using few-shot examples. The embeddings from the two encoders are used to compute the respective prototypes of image classes for classification. During adaptation, we propose aligning the image and text prototypes of the corresponding classes. Such alignment is beneficial for few-shot classification due to the reinforced contributions from both types of prototypes. Proto-CLIP has both training-free and fine-tuned variants. We demonstrate the effectiveness of our method by conducting experiments on benchmark datasets for few-shot learning, as well as in the real world for robot perception. The project page is available at https://irvlutd.github.io/Proto-CLIP

Graph neural networks (GNNs) have shown great prowess in learning representations suitable for numerous graph-based machine learning tasks. When applied to semi-supervised node classification, GNNs are widely believed to work well due to the homophily assumption ("like attracts like"), and fail to generalize to heterophilous graphs where dissimilar nodes connect. Recent works design new architectures to overcome such heterophily-related limitations, citing poor baseline performance and new architecture improvements on a few heterophilous graph benchmark datasets as evidence for this notion. In our experiments, we empirically find that standard graph convolutional networks (GCNs) can actually achieve better performance than such carefully designed methods on some commonly used heterophilous graphs. This motivates us to reconsider whether homophily is truly necessary for good GNN performance. We find that this claim is not quite true, and in fact, GCNs can achieve strong performance on heterophilous graphs under certain conditions. Our work carefully characterizes these conditions, and provides supporting theoretical understanding and empirical observations. Finally, we examine existing heterophilous graphs benchmarks and reconcile how the GCN (under)performs on them based on this understanding.

We introduce a new neural architecture to learn the conditional probability of an output sequence with elements that are discrete tokens corresponding to positions in an input sequence. Such problems cannot be trivially addressed by existent approaches such as sequence-to-sequence and Neural Turing Machines, because the number of target classes in each step of the output depends on the length of the input, which is variable. Problems such as sorting variable sized sequences, and various combinatorial optimization problems belong to this class. Our model solves the problem of variable size output dictionaries using a recently proposed mechanism of neural attention. It differs from the previous attention attempts in that, instead of using attention to blend hidden units of an encoder to a context vector at each decoder step, it uses attention as a pointer to select a member of the input sequence as the output. We call this architecture a Pointer Net (Ptr-Net). We show Ptr-Nets can be used to learn approximate solutions to three challenging geometric problems -- finding planar convex hulls, computing Delaunay triangulations, and the planar Travelling Salesman Problem -- using training examples alone. Ptr-Nets not only improve over sequence-to-sequence with input attention, but also allow us to generalize to variable size output dictionaries. We show that the learnt models generalize beyond the maximum lengths they were trained on. We hope our results on these tasks will encourage a broader exploration of neural learning for discrete problems.

Artificial intelligence (AI) has undergone a renaissance recently, making major progress in key domains such as vision, language, control, and decision-making. This has been due, in part, to cheap data and cheap compute resources, which have fit the natural strengths of deep learning. However, many defining characteristics of human intelligence, which developed under much different pressures, remain out of reach for current approaches. In particular, generalizing beyond one's experiences--a hallmark of human intelligence from infancy--remains a formidable challenge for modern AI. The following is part position paper, part review, and part unification. We argue that combinatorial generalization must be a top priority for AI to achieve human-like abilities, and that structured representations and computations are key to realizing this objective. Just as biology uses nature and nurture cooperatively, we reject the false choice between "hand-engineering" and "end-to-end" learning, and instead advocate for an approach which benefits from their complementary strengths. We explore how using relational inductive biases within deep learning architectures can facilitate learning about entities, relations, and rules for composing them. We present a new building block for the AI toolkit with a strong relational inductive bias--the graph network--which generalizes and extends various approaches for neural networks that operate on graphs, and provides a straightforward interface for manipulating structured knowledge and producing structured behaviors. We discuss how graph networks can support relational reasoning and combinatorial generalization, laying the foundation for more sophisticated, interpretable, and flexible patterns of reasoning. As a companion to this paper, we have released an open-source software library for building graph networks, with demonstrations of how to use them in practice.

As the size of deep learning models continues to grow, finding optimal models under memory and computation constraints becomes increasingly more important. Although usually the architecture and constituent building blocks of neural networks allow them to be used in a modular way, their training process is not aware of this modularity. Consequently, conventional neural network training lacks the flexibility to adapt the computational load of the model during inference. This paper proposes SortedNet, a generalized and scalable solution to harness the inherent modularity of deep neural networks across various dimensions for efficient dynamic inference. Our training considers a nested architecture for the sub-models with shared parameters and trains them together with the main model in a sorted and probabilistic manner. This sorted training of sub-networks enables us to scale the number of sub-networks to hundreds using a single round of training. We utilize a novel updating scheme during training that combines random sampling of sub-networks with gradient accumulation to improve training efficiency. Furthermore, the sorted nature of our training leads to a search-free sub-network selection at inference time; and the nested architecture of the resulting sub-networks leads to minimal storage requirement and efficient switching between sub-networks at inference. Our general dynamic training approach is demonstrated across various architectures and tasks, including large language models and pre-trained vision models. Experimental results show the efficacy of the proposed approach in achieving efficient sub-networks while outperforming state-of-the-art dynamic training approaches. Our findings demonstrate the feasibility of training up to 160 different sub-models simultaneously, showcasing the extensive scalability of our proposed method while maintaining 96% of the model performance.

Unsupervised 3D instance segmentation aims to segment objects from a 3D point cloud without any annotations. Existing methods face the challenge of either too loose or too tight clustering, leading to under-segmentation or over-segmentation. To address this issue, we propose Part2Object, hierarchical clustering with object guidance. Part2Object employs multi-layer clustering from points to object parts and objects, allowing objects to manifest at any layer. Additionally, it extracts and utilizes 3D objectness priors from temporally consecutive 2D RGB frames to guide the clustering process. Moreover, we propose Hi-Mask3D to support hierarchical 3D object part and instance segmentation. By training Hi-Mask3D on the objects and object parts extracted from Part2Object, we achieve consistent and superior performance compared to state-of-the-art models in various settings, including unsupervised instance segmentation, data-efficient fine-tuning, and cross-dataset generalization. Code is release at https://github.com/ChengShiest/Part2Object

Message Passing Neural Networks (MPNNs) are instances of Graph Neural Networks that leverage the graph to send messages over the edges. This inductive bias leads to a phenomenon known as over-squashing, where a node feature is insensitive to information contained at distant nodes. Despite recent methods introduced to mitigate this issue, an understanding of the causes for over-squashing and of possible solutions are lacking. In this theoretical work, we prove that: (i) Neural network width can mitigate over-squashing, but at the cost of making the whole network more sensitive; (ii) Conversely, depth cannot help mitigate over-squashing: increasing the number of layers leads to over-squashing being dominated by vanishing gradients; (iii) The graph topology plays the greatest role, since over-squashing occurs between nodes at high commute (access) time. Our analysis provides a unified framework to study different recent methods introduced to cope with over-squashing and serves as a justification for a class of methods that fall under graph rewiring.

A neural network with the widely-used ReLU activation has been shown to partition the sample space into many convex polytopes for prediction. However, the parameterized way a neural network and other machine learning models use to partition the space has imperfections, e.g., the compromised interpretability for complex models, the inflexibility in decision boundary construction due to the generic character of the model, and the risk of being trapped into shortcut solutions. In contrast, although the non-parameterized models can adorably avoid or downplay these issues, they are usually insufficiently powerful either due to over-simplification or the failure to accommodate the manifold structures of data. In this context, we first propose a new type of machine learning models referred to as Manifoldron that directly derives decision boundaries from data and partitions the space via manifold structure discovery. Then, we systematically analyze the key characteristics of the Manifoldron such as manifold characterization capability and its link to neural networks. The experimental results on 4 synthetic examples, 20 public benchmark datasets, and 1 real-world application demonstrate that the proposed Manifoldron performs competitively compared to the mainstream machine learning models. We have shared our code in https://github.com/wdayang/Manifoldron for free download and evaluation.

We present Jet-Nemotron, a new family of hybrid-architecture language models, which matches or exceeds the accuracy of leading full-attention models while significantly improving generation throughput. Jet-Nemotron is developed using Post Neural Architecture Search (PostNAS), a novel neural architecture exploration pipeline that enables efficient model design. Unlike prior approaches, PostNAS begins with a pre-trained full-attention model and freezes its MLP weights, allowing efficient exploration of attention block designs. The pipeline includes four key components: (1) learning optimal full-attention layer placement and elimination, (2) linear attention block selection, (3) designing new attention blocks, and (4) performing hardware-aware hyperparameter search. Our Jet-Nemotron-2B model achieves comparable or superior accuracy to Qwen3, Qwen2.5, Gemma3, and Llama3.2 across a comprehensive suite of benchmarks while delivering up to 53.6x generation throughput speedup and 6.1x prefilling speedup. It also achieves higher accuracy on MMLU and MMLU-Pro than recent advanced MoE full-attention models, such as DeepSeek-V3-Small and Moonlight, despite their larger scale with 15B total and 2.2B activated parameters.

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.

Transformers have been widely applied in text classification. Unfortunately, real-world data contain anomalies and noisy labels that cause challenges for state-of-art Transformers. This paper proposes Protoformer, a novel self-learning framework for Transformers that can leverage problematic samples for text classification. Protoformer features a selection mechanism for embedding samples that allows us to efficiently extract and utilize anomalies prototypes and difficult class prototypes. We demonstrated such capabilities on datasets with diverse textual structures (e.g., Twitter, IMDB, ArXiv). We also applied the framework to several models. The results indicate that Protoformer can improve current Transformers in various empirical settings.

Inspired by the Many-Worlds Interpretation (MWI), this work introduces a novel neural network architecture that splits the same input signal into parallel branches at each layer, utilizing a Hyper Rectified Activation, referred to as ANDHRA. The branched layers do not merge and form separate network paths, leading to multiple network heads for output prediction. For a network with a branching factor of 2 at three levels, the total number of heads is 2^3 = 8 . The individual heads are jointly trained by combining their respective loss values. However, the proposed architecture requires additional parameters and memory during training due to the additional branches. During inference, the experimental results on CIFAR-10/100 demonstrate that there exists one individual head that outperforms the baseline accuracy, achieving statistically significant improvement with equal parameters and computational cost.