OpenRaiser/Intern-Atlas huggingface dataset:
Beyond Real-world Benchmark Datasets: An Empirical Study of Node Classification with GNNs
Venue: Conference NeurIPS 2022
Year: 2022

Graph Neural Networks (GNNs) have achieved great success on a node classification task. Despite the broad interest in developing and evaluating GNNs, they have been assessed with limited benchmark datasets. As a result, the existing evaluation of GNNs lacks fine-grained analysis from various characteristics of graphs. Motivated by this, we conduct extensive experiments with a synthetic graph generator that can generate graphs having controlled characteristics for fine-grained analysis. Our empirical studies clarify the strengths and weaknesses of GNNs from four major characteristics of real-world graphs with class labels of nodes, i.e., 1) class size distributions (balanced vs. imbalanced), 2) edge connection proportions between classes (homophilic vs. heterophilic), 3) attribute values (biased vs. random), and 4) graph sizes (small vs. large). In addition, to foster future research on GNNs, we publicly release our codebase that allows users to evaluate various GNNs with various graphs. We hope this work offers interesting insights for future research.
Doubly-Asynchronous Value Iteration: Making Value Iteration Asynchronous in Actions
Venue: Conference NeurIPS 2022
Year: 2022

Value iteration (VI) is a foundational dynamic programming method, important for learning and planning in optimal control and reinforcement learning. VI proceeds in batches, where the update to the value of each state must be completed before the next batch of updates can begin. Completing a single batch is prohibitively expensive if the state space is large, rendering VI impractical for many applications. Asynchronous VI helps to address the large state space problem by updating one state at a time, in-place and in an arbitrary order. However, Asynchronous VI still requires a maximization over the entire action space, making it impractical for domains with large action space. To address this issue, we propose doubly-asynchronous value iteration (DAVI), a new algorithm that generalizes the idea of asynchrony from states to states and actions. More concretely, DAVI maximizes over a sampled subset of actions that can be of any user-defined size. This simple approach of using sampling to reduce computation maintains similarly appealing theoretical properties to VI without the need to wait for a full sweep through the entire action space in each update. In this paper, we show DAVI converges to the optimal value function with probability one, converges at a near-geometric rate with probability 1-delta, and returns a near-optimal policy in computation time that nearly matches a previously established bound for VI. We also empirically demonstrate DAVI's effectiveness in several experiments.
NOMAD: Nonlinear Manifold Decoders for Operator Learning
Venue: Conference NeurIPS 2022
Year: 2022

Supervised learning in function spaces is an emerging area of machine learning research with applications to the prediction of complex physical systems such as fluid flows, solid mechanics, and climate modeling. By directly learning maps (operators) between infinite dimensional function spaces, these models are able to learn discretization invariant representations of target functions. A common approach is to represent such target functions as linear combinations of basis elements learned from data. However, there are simple scenarios where, even though the target functions form a low dimensional submanifold, a very large number of basis elements is needed for an accurate linear representation. Here we present NOMAD, a novel operator learning framework with a nonlinear decoder map capable of learning finite dimensional representations of nonlinear submanifolds in function spaces. We show this method is able to accurately learn low dimensional representations of solution manifolds to partial differential equations while outperforming linear models of larger size. Additionally, we compare to state-of-the-art operator learning methods on a complex fluid dynamics benchmark and achieve competitive performance with a significantly smaller model size and training cost.
A PAC-Bayesian Generalization Bound for Equivariant Networks
Venue: Conference NeurIPS 2022
Year: 2022

Equivariant networks capture the inductive bias about the symmetry of the learning task by building those symmetries into the model. In this paper, we study how equivariance relates to generalization error utilizing PAC Bayesian analysis for equivariant networks, where the transformation laws of feature spaces are determined by group representations. By using perturbation analysis of equivariant networks in Fourier domain for each layer, we derive norm-based PAC-Bayesian generalization bounds. The bound characterizes the impact of group size, and multiplicity and degree of irreducible representations on the generalization error and thereby provide a guideline for selecting them. In general, the bound indicates that using larger group size in the model improves the generalization error substantiated by extensive numerical experiments.
OmniVL: One Foundation Model for Image-Language and Video-Language Tasks
Venue: Conference NeurIPS 2022
Year: 2022

This paper presents OmniVL, a new foundation model to support both image-language and video-language tasks using one universal architecture. It adopts a unified transformer-based visual encoder for both image and video inputs, and thus can perform joint image-language and video-language pretraining. We demonstrate, for the first time, such a paradigm benefits both image and video tasks, as opposed to the conventional one-directional transfer (e.g., use image-language to help video-language). To this end, we propose a decoupled joint pretraining of image-language and video-language to effectively decompose the vision-language modeling into spatial and temporal dimensions and obtain performance boost on both image and video tasks. Moreover, we introduce a novel unified vision-language contrastive (UniVLC) loss to leverage image-text, video-text, image-label (e.g., image classification), video-label (e.g., video action recognition) data together, so that both supervised and noisily supervised pretraining data are utilized as much as possible. Without incurring extra task-specific adaptors, OmniVL can simultaneously support visual only tasks (e.g., image classification, video action recognition), cross-modal alignment tasks (e.g., image/video-text retrieval), and multi-modal understanding and generation tasks (e.g., image/video question answering, captioning). We evaluate OmniVL on a wide range of downstream tasks and achieve state-of-the-art or competitive results with similar model size and data scale.
(Optimal) Online Bipartite Matching with Degree Information
Venue: Conference NeurIPS 2022
Year: 2022

We propose a model for online graph problems where algorithms are given access to an oracle that predicts (e.g., based on modeling assumptions or on past data) the degrees of nodes in the graph. Within this model, we study the classic problem of online bipartite matching, and a natural greedy matching algorithm called MinPredictedDegree, which uses predictions of the degrees of offline nodes. For the bipartite version of a stochastic graph model due to Chung, Lu, and Vu where the expected values of the offline degrees are known and used as predictions, we show that MinPredictedDegree stochastically dominates any other online algorithm, i.e., it is optimal for graphs drawn from this model. Since the "symmetric" version of the model, where all online nodes are identical, is a special case of the well-studied "known i.i.d. model", it follows that the competitive ratio of MinPredictedDegree on such inputs is at least 0.7299. For the special case of graphs with power law degree distributions, we show that MinPredictedDegree frequently produces matchings almost as large as the true maximum matching on such graphs. We complement these results with an extensive empirical evaluation showing that MinPredictedDegree compares favorably to state-of-the-art online algorithms for online matching.
Fairness in Federated Learning via Core-Stability
Venue: Conference NeurIPS 2022
Year: 2022

Federated learning provides an effective paradigm to jointly optimize a model benefited from rich distributed data while protecting data privacy. Nonetheless, the heterogeneity nature of distributed data makes it challenging to define and ensure fairness among local agents. For instance, it is intuitively "unfair" for agents with data of high quality to sacrifice their performance due to other agents with low quality data. Currently popular egalitarian and weighted equity-based fairness measures suffer from the aforementioned pitfall. In this work, we aim to formally represent this problem and address these fairness issues using concepts from co-operative game theory and social choice theory. We model the task of learning a shared predictor in the federated setting as a fair public decision making problem, and then define the notion of core-stable fairness: Given $N$ agents, there is no subset of agents $S$ that can benefit significantly by forming a coalition among themselves based on their utilities $U_N$ and $U_S$ (i.e., $\frac{|S|}{N} U_S \geq U_N$). Core-stable predictors are robust to low quality local data from some agents, and additionally they satisfy Proportionality and Pareto-optimality, two well sought-after fairness and efficiency notions within social choice. We then propose an efficient federated learning protocol CoreFed to optimize a core stable predictor. CoreFed determines a core-stable predictor when the loss functions of the agents are convex. CoreFed also determines approximate core-stable predictors when the loss functions are not convex, like smooth neural networks. We further show the existence of core-stable predictors in more general settings using Kakutani's fixed point theorem. Finally, we empirically validate our analysis on two real-world datasets, and we show that CoreFed achieves higher core-stability fairness than FedAvg while having similar accuracy.
CoNSoLe: Convex Neural Symbolic Learning
Venue: Conference NeurIPS 2022
Year: 2022

Learning the underlying equation from data is a fundamental problem in many disciplines. Recent advances rely on Neural Networks (NNs) but do not provide theoretical guarantees in obtaining the exact equations owing to the non-convexity of NNs. In this paper, we propose Convex Neural Symbolic Learning (CoNSoLe) to seek convexity under mild conditions. The main idea is to decompose the recovering process into two steps and convexify each step. In the first step of searching for right symbols, we convexify the deep Q-learning. The key is to maintain double convexity for both the negative Q-function and the negative reward function in each iteration, leading to provable convexity of the negative optimal Q function to learn the true symbol connections. Conditioned on the exact searching result, we construct a Locally Convex equation Learner (LoCaL) neural network to convexify the estimation of symbol coefficients. With such a design, we quantify a large region with strict convexity in the loss surface of LoCaL for commonly used physical functions. Finally, we demonstrate the superior performance of the CoNSoLe framework over the state-of-the-art on a diverse set of datasets.
DPM-Solver: A Fast ODE Solver for Diffusion Probabilistic Model Sampling in Around 10 Steps
Venue: Conference NeurIPS 2022
Year: 2022

Diffusion probabilistic models (DPMs) are emerging powerful generative models. Despite their high-quality generation performance, DPMs still suffer from their slow sampling as they generally need hundreds or thousands of sequential function evaluations (steps) of large neural networks to draw a sample. Sampling from DPMs can be viewed alternatively as solving the corresponding diffusion ordinary differential equations (ODEs). In this work, we propose an exact formulation of the solution of diffusion ODEs. The formulation analytically computes the linear part of the solution, rather than leaving all terms to black-box ODE solvers as adopted in previous works. By applying change-of-variable, the solution can be equivalently simplified to an exponentially weighted integral of the neural network. Based on our formulation, we propose DPM-Solver, a fast dedicated high-order solver for diffusion ODEs with the convergence order guarantee. DPM-Solver is suitable for both discrete-time and continuous-time DPMs without any further training. Experimental results show that DPM-Solver can generate high-quality samples in only 10 to 20 function evaluations on various datasets. We achieve 4.70 FID in 10 function evaluations and 2.87 FID in 20 function evaluations on the CIFAR10 dataset, and a $4\sim 16\times$ speedup compared with previous state-of-the-art training-free samplers on various datasets.
Attracting and Dispersing: A Simple Approach for Source-free Domain Adaptation
Venue: Conference NeurIPS 2022
Year: 2022

We propose a simple but effective source-free domain adaptation (SFDA) method. Treating SFDA as an unsupervised clustering problem and following the intuition that local neighbors in feature space should have more similar predictions than other features, we propose to optimize an objective of prediction consistency. This objective encourages local neighborhood features in feature space to have similar predictions while features farther away in feature space have dissimilar predictions, leading to efficient feature clustering and cluster assignment simultaneously. For efficient training, we seek to optimize an upper-bound of the objective resulting in two simple terms. Furthermore, we relate popular existing methods in domain adaptation, source-free domain adaptation and contrastive learning via the perspective of discriminability and diversity. The experimental results prove the superiority of our method, and our method can be adopted as a simple but strong baseline for future research in SFDA. Our method can be also adapted to source-free open-set and partial-set DA which further shows the generalization ability of our method. Code is available in https://github.com/Albert0147/AaD_SFDA.
SCINet: Time Series Modeling and Forecasting with Sample Convolution and Interaction
Venue: Conference NeurIPS 2022
Year: 2022

One unique property of time series is that the temporal relations are largely preserved after downsampling into two sub-sequences. By taking advantage of this property, we propose a novel neural network architecture that conducts sample convolution and interaction for temporal modeling and forecasting, named SCINet. Specifically, SCINet is a recursive downsample-convolve-interact architecture. In each layer, we use multiple convolutional filters to extract distinct yet valuable temporal features from the downsampled sub-sequences or features. By combining these rich features aggregated from multiple resolutions, SCINet effectively models time series with complex temporal dynamics. Experimental results show that SCINet achieves significant forecasting accuracy improvements over both existing convolutional models and Transformer-based solutions across various real-world time series forecasting datasets. Our codes and data are available at https://github.com/cure-lab/SCINet.
Subspace Recovery from Heterogeneous Data with Non-isotropic Noise
Venue: Conference NeurIPS 2022
Year: 2022

Recovering linear subspaces from data is a fundamental and important task in statistics and machine learning. Motivated by heterogeneity in Federated Learning settings, we study a basic formulation of this problem: the principal component analysis (PCA), with a focus on dealing with irregular noise. Our data come from $n$ users with user $i$ contributing data samples from a $d$-dimensional distribution with mean $μ_i$. Our goal is to recover the linear subspace shared by $μ_1,\ldots,μ_n$ using the data points from all users, where every data point from user $i$ is formed by adding an independent mean-zero noise vector to $μ_i$. If we only have one data point from every user, subspace recovery is information-theoretically impossible when the covariance matrices of the noise vectors can be non-spherical, necessitating additional restrictive assumptions in previous work. We avoid these assumptions by leveraging at least two data points from each user, which allows us to design an efficiently-computable estimator under non-spherical and user-dependent noise. We prove an upper bound for the estimation error of our estimator in general scenarios where the number of data points and amount of noise can vary across users, and prove an information-theoretic error lower bound that not only matches the upper bound up to a constant factor, but also holds even for spherical Gaussian noise. This implies that our estimator does not introduce additional estimation error (up to a constant factor) due to irregularity in the noise. We show additional results for a linear regression problem in a similar setup.
Lifelong Neural Predictive Coding: Learning Cumulatively Online without Forgetting
Venue: Conference NeurIPS 2022
Year: 2022

In lifelong learning systems based on artificial neural networks, one of the biggest obstacles is the inability to retain old knowledge as new information is encountered. This phenomenon is known as catastrophic forgetting. In this paper, we propose a new kind of connectionist architecture, the Sequential Neural Coding Network, that is robust to forgetting when learning from streams of data points and, unlike networks of today, does not learn via the popular back-propagation of errors. Grounded in the neurocognitive theory of predictive processing, our model adapts synapses in a biologically-plausible fashion while another neural system learns to direct and control this cortex-like structure, mimicking some of the task-executive control functionality of the basal ganglia. In our experiments, we demonstrate that our self-organizing system experiences significantly less forgetting compared to standard neural models, outperforming a swath of previously proposed methods, including rehearsal/data buffer-based methods, on both standard (SplitMNIST, Split Fashion MNIST, etc.) and custom benchmarks even though it is trained in a stream-like fashion. Our work offers evidence that emulating mechanisms in real neuronal systems, e.g., local learning, lateral competition, can yield new directions and possibilities for tackling the grand challenge of lifelong machine learning.
Align then Fusion: Generalized Large-scale Multi-view Clustering with Anchor Matching Correspondences
Venue: Conference NeurIPS 2022
Year: 2022

Multi-view anchor graph clustering selects representative anchors to avoid full pair-wise similarities and therefore reduce the complexity of graph methods. Although widely applied in large-scale applications, existing approaches do not pay sufficient attention to establishing correct correspondences between the anchor sets across views. To be specific, anchor graphs obtained from different views are not aligned column-wisely. Such an \textbf{A}nchor-\textbf{U}naligned \textbf{P}roblem (AUP) would cause inaccurate graph fusion and degrade the clustering performance. Under multi-view scenarios, generating correct correspondences could be extremely difficult since anchors are not consistent in feature dimensions. To solve this challenging issue, we propose the first study of the generalized and flexible anchor graph fusion framework termed \textbf{F}ast \textbf{M}ulti-\textbf{V}iew \textbf{A}nchor-\textbf{C}orrespondence \textbf{C}lustering (FMVACC). Specifically, we show how to find anchor correspondence with both feature and structure information, after which anchor graph fusion is performed column-wisely. Moreover, we theoretically show the connection between FMVACC and existing multi-view late fusion \cite{liu2018late} and partial view-aligned clustering \cite{huang2020partially}, which further demonstrates our generality. Extensive experiments on seven benchmark datasets demonstrate the effectiveness and efficiency of our proposed method. Moreover, the proposed alignment module also shows significant performance improvement applying to existing multi-view anchor graph competitors indicating the importance of anchor alignment. Our code is available at \url{https://github.com/wangsiwei2010/NeurIPS22-FMVACC}.
On Privacy and Personalization in Cross-Silo Federated Learning
Venue: Conference NeurIPS 2022
Year: 2022

While the application of differential privacy (DP) has been well-studied in cross-device federated learning (FL), there is a lack of work considering DP and its implications for cross-silo FL, a setting characterized by a limited number of clients each containing many data subjects. In cross-silo FL, usual notions of client-level DP are less suitable as real-world privacy regulations typically concern the in-silo data subjects rather than the silos themselves. In this work, we instead consider an alternative notion of silo-specific sample-level DP, where silos set their own privacy targets for their local examples. Under this setting, we reconsider the roles of personalization in federated learning. In particular, we show that mean-regularized multi-task learning (MR-MTL), a simple personalization framework, is a strong baseline for cross-silo FL: under stronger privacy requirements, silos are incentivized to federate more with each other to mitigate DP noise, resulting in consistent improvements relative to standard baseline methods. We provide an empirical study of competing methods as well as a theoretical characterization of MR-MTL for mean estimation, highlighting the interplay between privacy and cross-silo data heterogeneity. Our work serves to establish baselines for private cross-silo FL as well as identify key directions of future work in this area.
🏘️ ProcTHOR: Large-Scale Embodied AI Using Procedural Generation
Venue: Conference NeurIPS 2022
Year: 2022

Massive datasets and high-capacity models have driven many recent advancements in computer vision and natural language understanding. This work presents a platform to enable similar success stories in Embodied AI. We propose ProcTHOR, a framework for procedural generation of Embodied AI environments. ProcTHOR enables us to sample arbitrarily large datasets of diverse, interactive, customizable, and performant virtual environments to train and evaluate embodied agents across navigation, interaction, and manipulation tasks. We demonstrate the power and potential of ProcTHOR via a sample of 10,000 generated houses and a simple neural model. Models trained using only RGB images on ProcTHOR, with no explicit mapping and no human task supervision produce state-of-the-art results across 6 embodied AI benchmarks for navigation, rearrangement, and arm manipulation, including the presently running Habitat 2022, AI2-THOR Rearrangement 2022, and RoboTHOR challenges. We also demonstrate strong 0-shot results on these benchmarks, via pre-training on ProcTHOR with no fine-tuning on the downstream benchmark, often beating previous state-of-the-art systems that access the downstream training data.