It is common practice in deep learning to represent a measurement of the world on a discrete grid, e.g. a 2D grid of pixels. However, the underlying signal represented by these measurements is often continuous, e.g. the scene depicted in an image. A powerful continuous alternative is then to represent these measurements using an \textit{implicit neural representation}, a neural function trained to output the appropriate measurement value for any input spatial location. In this paper, we take this idea to its next level: what would it take to perform deep learning on these functions instead, treating them as data? In this context we refer to the data as \textit{functa}, and propose a framework for deep learning on functa. This view presents a number of challenges around efficient conversion from data to functa, compact representation of functa, and effectively solving downstream tasks on functa. We outline a recipe to overcome these challenges and apply it to a wide range of data modalities including images, 3D shapes, neural radiance fields (NeRF) and data on manifolds. We demonstrate that this approach has various compelling properties across data modalities, in particular on the canonical tasks of generative modeling, data imputation, novel view synthesis and classification.

Personalized federated learning is proposed to handle the data heterogeneity problem amongst clients by learning dedicated tailored local models for each user. However, existing works are often built in a centralized way, leading to high communication pressure and high vulnerability when a failure or an attack on the central server occurs. In this work, we propose a novel personalized federated learning framework in a decentralized (peer-to-peer) communication protocol named DisPFL, which employs personalized sparse masks to customize sparse local models on the edge. To further save the communication and computation cost, we propose a decentralized sparse training technique, which means that each local model in DisPFL only maintains a fixed number of active parameters throughout the whole local training and peer-to-peer communication process. Comprehensive experiments demonstrate that DisPFL significantly saves the communication bottleneck for the busiest node among all clients and, at the same time, achieves higher model accuracy with less computation cost and communication rounds. Furthermore, we demonstrate that our method can easily adapt to heterogeneous local clients with varying computation complexities and achieves better personalized performances.

The top-k classification accuracy is one of the core metrics in machine learning. Here, k is conventionally a positive integer, such as 1 or 5, leading to top-1 or top-5 training objectives. In this work, we relax this assumption and optimize the model for multiple k simultaneously instead of using a single k. Leveraging recent advances in differentiable sorting and ranking, we propose a family of differentiable top-k cross-entropy classification losses. This allows training while not only considering the top-1 prediction, but also, e.g., the top-2 and top-5 predictions. We evaluate the proposed losses for fine-tuning on state-of-the-art architectures, as well as for training from scratch. We find that relaxing k not only produces better top-5 accuracies, but also leads to top-1 accuracy improvements. When fine-tuning publicly available ImageNet models, we achieve a new state-of-the-art for these models.

Quantized neural networks typically require smaller memory footprints and lower computation complexity, which is crucial for efficient deployment. However, quantization inevitably leads to a distribution divergence from the original network, which generally degrades the performance. To tackle this issue, massive efforts have been made, but most existing approaches lack statistical considerations and depend on several manual configurations. In this paper, we present an adaptive-mapping quantization method to learn an optimal latent sub-distribution that is inherent within models and smoothly approximated with a concrete Gaussian Mixture (GM). In particular, the network weights are projected in compliance with the GM-approximated sub-distribution. This sub-distribution evolves along with the weight update in a co-tuning schema guided by the direct task-objective optimization. Sufficient experiments on image classification and object detection over various modern architectures demonstrate the effectiveness, generalization property, and transferability of the proposed method. Besides, an efficient deployment flow for the mobile CPU is developed, achieving up to 7.46$\times$ inference acceleration on an octa-core ARM CPU. Our codes have been publicly released at https://github.com/RunpeiDong/DGMS.

We hypothesize that due to the greedy nature of learning in multi-modal deep neural networks, these models tend to rely on just one modality while under-fitting the other modalities. Such behavior is counter-intuitive and hurts the models' generalization, as we observe empirically. To estimate the model's dependence on each modality, we compute the gain on the accuracy when the model has access to it in addition to another modality. We refer to this gain as the conditional utilization rate. In the experiments, we consistently observe an imbalance in conditional utilization rates between modalities, across multiple tasks and architectures. Since conditional utilization rate cannot be computed efficiently during training, we introduce a proxy for it based on the pace at which the model learns from each modality, which we refer to as the conditional learning speed. We propose an algorithm to balance the conditional learning speeds between modalities during training and demonstrate that it indeed addresses the issue of greedy learning. The proposed algorithm improves the model's generalization on three datasets: Colored MNIST, ModelNet40, and NVIDIA Dynamic Hand Gesture.

Pruning large neural networks to create high-quality, independently trainable sparse masks, which can maintain similar performance to their dense counterparts, is very desirable due to the reduced space and time complexity. As research effort is focused on increasingly sophisticated pruning methods that leads to sparse subnetworks trainable from the scratch, we argue for an orthogonal, under-explored theme: improving training techniques for pruned sub-networks, i.e. sparse training. Apart from the popular belief that only the quality of sparse masks matters for sparse training, in this paper we demonstrate an alternative opportunity: one can carefully customize the sparse training techniques to deviate from the default dense network training protocols, consisting of introducing ``ghost" neurons and skip connections at the early stage of training, and strategically modifying the initialization as well as labels. Our new sparse training recipe is generally applicable to improving training from scratch with various sparse masks. By adopting our newly curated techniques, we demonstrate significant performance gains across various popular datasets (CIFAR-10, CIFAR-100, TinyImageNet), architectures (ResNet-18/32/104, Vgg16, MobileNet), and sparse mask options (lottery ticket, SNIP/GRASP, SynFlow, or even randomly pruning), compared to the default training protocols, especially at high sparsity levels. Codes will be publicly available.

We study the problem of learning from positive and unlabeled (PU) data in the federated setting, where each client only labels a little part of their dataset due to the limitation of resources and time. Different from the settings in traditional PU learning where the negative class consists of a single class, the negative samples which cannot be identified by a client in the federated setting may come from multiple classes which are unknown to the client. Therefore, existing PU learning methods can be hardly applied in this situation. To address this problem, we propose a novel framework, namely Federated learning with Positive and Unlabeled data (FedPU), to minimize the expected risk of multiple negative classes by leveraging the labeled data in other clients. We theoretically analyze the generalization bound of the proposed FedPU. Empirical experiments show that the FedPU can achieve much better performance than conventional supervised and semi-supervised federated learning methods.

A fundamental problem in drug discovery is to design molecules that bind to specific proteins. To tackle this problem using machine learning methods, here we propose a novel and effective framework, known as GraphBP, to generate 3D molecules that bind to given proteins by placing atoms of specific types and locations to the given binding site one by one. In particular, at each step, we first employ a 3D graph neural network to obtain geometry-aware and chemically informative representations from the intermediate contextual information. Such context includes the given binding site and atoms placed in the previous steps. Second, to preserve the desirable equivariance property, we select a local reference atom according to the designed auxiliary classifiers and then construct a local spherical coordinate system. Finally, to place a new atom, we generate its atom type and relative location w.r.t. the constructed local coordinate system via a flow model. We also consider generating the variables of interest sequentially to capture the underlying dependencies among them. Experiments demonstrate that our GraphBP is effective to generate 3D molecules with binding ability to target protein binding sites. Our implementation is available at https://github.com/divelab/GraphBP.

People usually believe that network pruning not only reduces the computational cost of deep networks, but also prevents overfitting by decreasing model capacity. However, our work surprisingly discovers that network pruning sometimes even aggravates overfitting. We report an unexpected sparse double descent phenomenon that, as we increase model sparsity via network pruning, test performance first gets worse (due to overfitting), then gets better (due to relieved overfitting), and gets worse at last (due to forgetting useful information). While recent studies focused on the deep double descent with respect to model overparameterization, they failed to recognize that sparsity may also cause double descent. In this paper, we have three main contributions. First, we report the novel sparse double descent phenomenon through extensive experiments. Second, for this phenomenon, we propose a novel learning distance interpretation that the curve of l2 learning distance of sparse models (from initialized parameters to final parameters) may correlate with the sparse double descent curve well and reflect generalization better than minima flatness. Third, in the context of sparse double descent, a winning ticket in the lottery ticket hypothesis surprisingly may not always win.

In this paper, we propose a Collaboration of Experts (CoE) framework to assemble the expertise of multiple networks towards a common goal. Each expert is an individual network with expertise on a unique portion of the dataset, contributing to the collective capacity. Given a sample, delegator selects an expert and simultaneously outputs a rough prediction to trigger potential early termination. For each model in CoE, we propose a novel training algorithm with two major components: weight generation module (WGM) and label generation module (LGM). It fulfills the co-adaptation of experts and delegator. WGM partitions the training data into portions based on delegator via solving a balanced transportation problem, then impels each expert to focus on one portion by reweighting the losses. LGM generates the label to constitute the loss of delegator for expert selection. CoE achieves the state-of-the-art performance on ImageNet, 80.7% top-1 accuracy with 194M FLOPs. Combined with PWLU and CondConv, CoE further boosts the accuracy to 80.0% with only 100M FLOPs for the first time. Furthermore, experiment results on the translation task also demonstrate the strong generalizability of CoE. CoE is hardware-friendly, yielding a 3~6x acceleration compared with existing conditional computation approaches.

Partial label learning (PLL), which refers to the classification task where each training instance is ambiguously annotated with a set of candidate labels, has been recently studied in deep learning paradigm. Despite advances in recent deep PLL literature, existing methods (e.g., methods based on self-training or contrastive learning) are confronted with either ineffectiveness or inefficiency. In this paper, we revisit a simple idea namely consistency regularization, which has been shown effective in traditional PLL literature, to guide the training of deep models. Towards this goal, a new regularized training framework, which performs supervised learning on non-candidate labels and employs consistency regularization on candidate labels, is proposed for PLL. We instantiate the regularization term by matching the outputs of multiple augmentations of an instance to a conformal label distribution, which can be adaptively inferred by the closed-form solution. Experiments on benchmark datasets demonstrate the superiority of the proposed method compared with other state-of-the-art methods.

In modern classification tasks, the number of labels is getting larger and larger, as is the size of the datasets encountered in practice. As the number of classes increases, class ambiguity and class imbalance become more and more problematic to achieve high top-1 accuracy. Meanwhile, Top-K metrics (metrics allowing K guesses) have become popular, especially for performance reporting. Yet, proposing top-K losses tailored for deep learning remains a challenge, both theoretically and practically.In this paper we introduce a stochastic top-K hinge loss inspired by recent developments on top-K calibrated losses.Our proposal is based on the smoothing of the top-K operator building on the flexible "perturbed optimizer" framework. We show that our loss function performs very well in the case of balanced datasets, while benefiting from a significantly lower computational time than the state-of-the-art top-K loss function. In addition, we propose a simple variant of our loss for the imbalanced case. Experiments on a heavy-tailed dataset show that our loss function significantly outperforms other baseline loss functions.

Tensorial Convolutional Neural Networks (TCNNs) have attracted much research attention for their power in reducing model parameters or enhancing the generalization ability. However, exploration of TCNNs is hindered even from weight initialization methods. To be specific, general initialization methods, such as Xavier or Kaiming initialization, usually fail to generate appropriate weights for TCNNs. Meanwhile, although there are ad-hoc approaches for specific architectures (e.g., Tensor Ring Nets), they are not applicable to TCNNs with other tensor decomposition methods (e.g., CP or Tucker decomposition). To address this problem, we propose a universal weight initialization paradigm, which generalizes Xavier and Kaiming methods and can be widely applicable to arbitrary TCNNs. Specifically, we first present the Reproducing Transformation to convert the backward process in TCNNs to an equivalent convolution process. Then, based on the convolution operators in the forward and backward processes, we build a unified paradigm to control the variance of features and gradients in TCNNs. Thus, we can derive fan-in and fan-out initialization for various TCNNs. We demonstrate that our paradigm can stabilize the training of TCNNs, leading to faster convergence and better results.

Few-shot classification (FSC) requires training models using a few (typically one to five) data points per class. Meta-learning has proven to be able to learn a parametrized model for FSC by training on various other classification tasks. In this work, we propose PLATINUM (semi-suPervised modeL Agnostic meTa learnIng usiNg sUbmodular Mutual information ), a novel semi-supervised model agnostic meta learning framework that uses the submodular mutual in- formation (SMI) functions to boost the perfor- mance of FSC. PLATINUM leverages unlabeled data in the inner and outer loop using SMI func- tions during meta-training and obtains richer meta- learned parameterizations. We study the per- formance of PLATINUM in two scenarios - 1) where the unlabeled data points belong to the same set of classes as the labeled set of a cer- tain episode, and 2) where there exist out-of- distribution classes that do not belong to the la- beled set. We evaluate our method on various settings on the miniImageNet, tieredImageNet and CIFAR-FS datasets. Our experiments show that PLATINUM outperforms MAML and semi- supervised approaches like pseduo-labeling for semi-supervised FSC, especially for small ratio of labeled to unlabeled samples.

Hidden Networks (Ramanujan et al., 2020) showed the possibility of finding accurate subnetworks within a randomly weighted neural network by training a connectivity mask, referred to as supermask. We show that the supermask stops improving even though gradients are not zero, thus underutilizing backpropagated information. To address this we propose a method that extends Hidden Networks by training an overlay of multiple hierarchical supermasks—a multicoated supermask. This method shows that using multiple supermasks for a single task achieves higher accuracy without additional training cost. Experiments on CIFAR-10 and ImageNet show that Multicoated Supermasks enhance the tradeoff between accuracy and model size. A ResNet-101 using a 7-coated supermask outperforms its Hidden Networks counterpart by 4%, matching the accuracy of a dense ResNet-50 while being an order of magnitude smaller.