Bayesian inference in deep neural networks is challenging due to the high-dimensional, strongly multi-modal parameter posterior density landscape. Markov chain Monte Carlo approaches asymptotically recover the true posterior but are considered prohibitively expensive for large modern architectures. Local methods, which have emerged as a popular alternative, focus on specific parameter regions that can be approximated by functions with tractable integrals. While these often yield satisfactory empirical results, they fail, by definition, to account for the multi-modality of the parameter posterior. In this work, we argue that the dilemma between exact-but-unaffordable and cheap-but-inexact approaches can be mitigated by exploiting symmetries in the posterior landscape. Such symmetries, induced by neuron interchangeability and certain activation functions, manifest in different parameter values leading to the same functional output value. We show theoretically that the posterior predictive density in Bayesian neural networks can be restricted to a symmetry-free parameter reference set. By further deriving an upper bound on the number of Monte Carlo chains required to capture the functional diversity, we propose a straightforward approach for feasible Bayesian inference. Our experiments suggest that efficient sampling is indeed possible, opening up a promising path to accurate uncertainty quantification in deep learning.
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Towards More Suitable Personalization in Federated Learning via Decentralized Partial Model Training
Personalized federated learning (PFL) aims to produce the greatest personalized model for each client to face an insurmountable problem--data heterogeneity in real FL systems. However, almost all existing works have to face large communication burdens and the risk of disruption if the central server fails. Only limited efforts have been used in a decentralized way but still suffers from inferior representation ability due to sharing the full model with its neighbors. Therefore, in this paper, we propose a personalized FL framework with a decentralized partial model training called DFedAlt. It personalizes the "right" components in the modern deep models by alternately updating the shared and personal parameters to train partially personalized models in a peer-to-peer manner. To further promote the shared parameters aggregation process, we propose DFedSalt integrating the local Sharpness Aware Minimization (SAM) optimizer to update the shared parameters. It adds proper perturbation in the direction of the gradient to overcome the shared model inconsistency across clients. Theoretically, we provide convergence analysis of both algorithms in the general non-convex setting for decentralized partial model training in PFL. Our experiments on several real-world data with various data partition settings demonstrate that (i) decentralized training is more suitable for partial personalization, which results in state-of-the-art (SOTA) accuracy compared with the SOTA PFL baselines; (ii) the shared parameters with proper perturbation make partial personalized FL more suitable for decentralized training, where DFedSalt achieves most competitive performance.
Wasserstein Gaussianization and Efficient Variational Bayes for Robust Bayesian Synthetic Likelihood
The Bayesian Synthetic Likelihood (BSL) method is a widely-used tool for likelihood-free Bayesian inference. This method assumes that some summary statistics are normally distributed, which can be incorrect in many applications. We propose a transformation, called the Wasserstein Gaussianization transformation, that uses a Wasserstein gradient flow to approximately transform the distribution of the summary statistics into a Gaussian distribution. BSL also implicitly requires compatibility between simulated summary statistics under the working model and the observed summary statistics. A robust BSL variant which achieves this has been developed in the recent literature. We combine the Wasserstein Gaussianization transformation with robust BSL, and an efficient Variational Bayes procedure for posterior approximation, to develop a highly efficient and reliable approximate Bayesian inference method for likelihood-free problems.
Reasoning system dynamics is one of the most important analytical approaches for many scientific studies. With the initial state of a system as input, the recent graph neural networks (GNNs)-based methods are capable of predicting the future state distant in time with high accuracy. Although these methods have diverse designs in modeling the coordinates and interacting forces of the system, we show that they actually share a common paradigm that learns the integration of the velocity over the interval between the initial and terminal coordinates. However, their integrand is constant w.r.t. time. Inspired by this observation, we propose a new approach to predict the integration based on several velocity estimations with Newton-Cotes formulas and prove its effectiveness theoretically. Extensive experiments on several benchmarks empirically demonstrate consistent and significant improvement compared with the state-of-the-art methods.
Estimating the rigid transformation between two LiDAR scans through putative 3D correspondences is a typical point cloud registration paradigm. Current 3D feature matching approaches commonly lead to numerous outlier correspondences, making outlier-robust registration techniques indispensable. Many recent studies have adopted the branch and bound (BnB) optimization framework to solve the correspondence-based point cloud registration problem globally and deterministically. Nonetheless, BnB-based methods are time-consuming to search the entire 6-dimensional parameter space, since their computational complexity is exponential to the dimension of the solution domain. In order to enhance algorithm efficiency, existing works attempt to decouple the 6 degrees of freedom (DOF) original problem into two 3-DOF sub-problems, thereby reducing the dimension of the parameter space. In contrast, our proposed approach introduces a novel pose decoupling strategy based on residual projections, effectively decomposing the raw problem into three 2-DOF rotation search sub-problems. Subsequently, we employ a novel BnB-based search method to solve these sub-problems, achieving efficient and deterministic registration. Furthermore, our method can be adapted to address the challenging problem of simultaneous pose and correspondence registration (SPCR). Through extensive experiments conducted on synthetic and real-world datasets, we demonstrate that our proposed method outperforms state-of-the-art methods in terms of efficiency, while simultaneously ensuring robustness.
Federated Learning (FL) has emerged as an effective learning paradigm for distributed computation owing to its strong potential in capturing underlying data statistics while preserving data privacy. However, in cases of practical data heterogeneity among FL clients, existing FL frameworks still exhibit deficiency in capturing the overall feature properties of local client data that exhibit disparate distributions. In response, generative adversarial networks (GANs) have recently been exploited in FL to address data heterogeneity since GANs can be integrated for data regeneration without exposing original raw data. Despite some successes, existing GAN-related FL frameworks often incur heavy communication cost and also elicit other privacy concerns, which limit their applications in real scenarios. To this end, this work proposes a novel FL framework that requires only partial GAN model sharing. Named as PS-FedGAN, this new framework enhances the GAN releasing and training mechanism to address heterogeneous data distributions across clients and to strengthen privacy preservation at reduced communication cost, especially over wireless networks. Our analysis demonstrates the convergence and privacy benefits of the proposed PS-FEdGAN framework. Through experimental results based on several well-known benchmark datasets, our proposed PS-FedGAN shows great promise to tackle FL under non-IID client data distributions, while securing data privacy and lowering communication overhead.
Learning multi-agent dynamics is a core AI problem with broad applications in robotics and autonomous driving. While most existing works focus on deterministic prediction, producing probabilistic forecasts to quantify uncertainty and assess risks is critical for downstream decision-making tasks such as motion planning and collision avoidance. Multi-agent dynamics often contains internal symmetry. By leveraging symmetry, specifically rotation equivariance, we can improve not only the prediction accuracy but also uncertainty calibration. We introduce Energy Score, a proper scoring rule, to evaluate probabilistic predictions. We propose a novel deep dynamics model, Probabilistic Equivariant Continuous COnvolution (PECCO) for probabilistic prediction of multi-agent trajectories. PECCO extends equivariant continuous convolution to model the joint velocity distribution of multiple agents. It uses dynamics integration to propagate the uncertainty from velocity to position. On both synthetic and real-world datasets, PECCO shows significant improvements in accuracy and calibration compared to non-equivariant baselines.
Residual networks (ResNets) have displayed impressive results in pattern recognition and, recently, have garnered considerable theoretical interest due to a perceived link with neural ordinary differential equations (neural ODEs). This link relies on the convergence of network weights to a smooth function as the number of layers increases. We investigate the properties of weights trained by stochastic gradient descent and their scaling with network depth through detailed numerical experiments. We observe the existence of scaling regimes markedly different from those assumed in neural ODE literature. Depending on certain features of the network architecture, such as the smoothness of the activation function, one may obtain an alternative ODE limit, a stochastic differential equation or neither of these. These findings cast doubts on the validity of the neural ODE model as an adequate asymptotic description of deep ResNets and point to an alternative class of differential equations as a better description of the deep network limit.
The Bayesian paradigm has the potential to solve core issues of deep neural networks such as poor calibration and data inefficiency. Alas, scaling Bayesian inference to large weight spaces often requires restrictive approximations. In this work, we show that it suffices to perform inference over a small subset of model weights in order to obtain accurate predictive posteriors. The other weights are kept as point estimates. This subnetwork inference framework enables us to use expressive, otherwise intractable, posterior approximations over such subsets. In particular, we implement subnetwork linearized Laplace: We first obtain a MAP estimate of all weights and then infer a full-covariance Gaussian posterior over a subnetwork. We propose a subnetwork selection strategy that aims to maximally preserve the model's predictive uncertainty. Empirically, our approach is effective compared to ensembles and less expressive posterior approximations over full networks.
The growing energy and performance costs of deep learning have driven the community to reduce the size of neural networks by selectively pruning components. Similarly to their biological counterparts, sparse networks generalize just as well, if not better than, the original dense networks. Sparsity can reduce the memory footprint of regular networks to fit mobile devices, as well as shorten training time for ever growing networks. In this paper, we survey prior work on sparsity in deep learning and provide an extensive tutorial of sparsification for both inference and training. We describe approaches to remove and add elements of neural networks, different training strategies to achieve model sparsity, and mechanisms to exploit sparsity in practice. Our work distills ideas from more than 300 research papers and provides guidance to practitioners who wish to utilize sparsity today, as well as to researchers whose goal is to push the frontier forward. We include the necessary background on mathematical methods in sparsification, describe phenomena such as early structure adaptation, the intricate relations between sparsity and the training process, and show techniques for achieving acceleration on real hardware. We also define a metric of pruned parameter efficiency that could serve as a baseline for comparison of different sparse networks. We close by speculating on how sparsity can improve future workloads and outline major open problems in the field.
We propose a Bayesian convolutional neural network built upon Bayes by Backprop and elaborate how this known method can serve as the fundamental construct of our novel, reliable variational inference method for convolutional neural networks. First, we show how Bayes by Backprop can be applied to convolutional layers where weights in filters have probability distributions instead of point-estimates; and second, how our proposed framework leads with various network architectures to performances comparable to convolutional neural networks with point-estimates weights. In the past, Bayes by Backprop has been successfully utilised in feedforward and recurrent neural networks, but not in convolutional ones. This work symbolises the extension of the group of Bayesian neural networks which encompasses all three aforementioned types of network architectures now.
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