NeurIPS 2022 论文列表

While other areas of machine learning have seen more and more automation, designing a high-performing recommender system still requires a high level of human effort. Furthermore, recent work has shown that modern recommender system algorithms do not always improve over well-tuned baselines. A natural follow-up question is, "how do we choose the right algorithm for a new dataset and performance metric?" In this work, we start by giving the first large-scale study of recommender system approaches by comparing 24 algorithms and 100 sets of hyperparameters across 85 datasets and 315 metrics. We find that the best algorithms and hyperparameters are highly dependent on the dataset and performance metric. However, there is also a strong correlation between the performance of each algorithm and various meta-features of the datasets. Motivated by these findings, we create RecZilla, a meta-learning approach to recommender systems that uses a model to predict the best algorithm and hyperparameters for new, unseen datasets. By using far more meta-training data than prior work, RecZilla is able to substantially reduce the level of human involvement when faced with a new recommender system application. We not only release our code and pretrained RecZilla models, but also all of our raw experimental results, so that practitioners can train a RecZilla model for their desired performance metric: https://github.com/naszilla/reczilla.

Deep neural networks are powerful tools to model observations over time with non-linear patterns. Despite the widespread use of neural networks in such settings, most theoretical developments of deep neural networks are under the assumption of independent observations, and theoretical results for temporally dependent observations are scarce. To bridge this gap, we study theoretical properties of deep neural networks on modeling non-linear time series data. Specifically, non-asymptotic bounds for prediction error of (sparse) feed-forward neural network with ReLU activation function is established under mixing-type assumptions. These assumptions are mild such that they include a wide range of time series models including auto-regressive models. Compared to independent observations, established convergence rates have additional logarithmic factors to compensate for additional complexity due to dependence among data points. The theoretical results are supported via various numerical simulation settings as well as an application to a macroeconomic data set.

Deep classifiers are known to rely on spurious features — patterns which are correlated with the target on the training data but not inherently relevant to the learning problem, such as the image backgrounds when classifying the foregrounds. In this paper we evaluate the amount of information about the core (non-spurious) features that can be decoded from the representations learned by standard empirical risk minimization (ERM) and specialized group robustness training. Following recent work on Deep Feature Reweighting (DFR), we evaluate the feature representations by re-training the last layer of the model on a held-out set where the spurious correlation is broken. On multiple vision and NLP problems, we show that the features learned by simple ERM are highly competitive with the features learned by specialized group robustness methods targeted at reducing the effect of spurious correlations. Moreover, we show that the quality of learned feature representations is greatly affected by the design decisions beyond the training method, such as the model architecture and pre-training strategy. On the other hand, we find that strong regularization is not necessary for learning high-quality feature representations. Finally, using insights from our analysis, we significantly improve upon the best results reported in the literature on the popular Waterbirds, CelebA hair color prediction and WILDS-FMOW problems, achieving 97\%, 92\% and 50\% worst-group accuracies, respectively.

In machine teaching, a concept is represented by (and inferred from) a small number of labeled examples. Various teaching models in the literature cast the interaction between teacher and learner in a way to obtain a small complexity (in terms of the number of examples required for teaching a concept) while obeying certain constraints that are meant to prevent unfair collusion between teacher and learner. In recent years, one major research goal has been to show interesting relationships between teaching complexity and the VC-dimension (VCD). So far, the only interesting relationship known from batch teaching settings is an upper bound quadratic in the VCD, on a parameter called recursive teaching dimension. The only known upper bound on teaching complexity that is linear in VCD was obtained in a model of teaching with sequences rather than batches. This paper is the first to provide an upper bound of VCD on a batch teaching complexity parameter. This parameter, called STDmin, is introduced here as a model of teaching that intuitively incorporates a notion of ``importance'' of an example for a concept. In designing the STDmin teaching model, we argue that the standard notion of collusion-freeness from the literature may be inadequate for certain applications; we hence propose three desirable properties of teaching complexity and demonstrate that they are satisfied by STDmin.

Text-to-image generation and image captioning are recently emerged as a new experimental paradigm to assess machine intelligence. They predict continuous quantity accompanied by their sampling techniques in the generation, making evaluation complicated and intractable to get marginal distributions. Based on a recent trend that multimodal generative evaluations exploit a vison-and-language pre-trained model, we propose the negative Gaussian cross-mutual information using the CLIP features as a unified metric, coined by Mutual Information Divergence (MID). To validate, we extensively compare it with competing metrics using carefully-generated or human-annotated judgments in text-to-image generation and image captioning tasks. The proposed MID significantly outperforms the competitive methods by having consistency across benchmarks, sample parsimony, and robustness toward the exploited CLIP model. We look forward to seeing the underrepresented implications of the Gaussian cross-mutual information in multimodal representation learning and future works based on this novel proposition.

Learning image representations using synthetic data allows training neural networks without some of the concerns associated with real images, such as privacy and bias. Existing work focuses on a handful of curated generative processes which require expert knowledge to design, making it hard to scale up. To overcome this, we propose training with a large dataset of twenty-one thousand programs, each one generating a diverse set of synthetic images. These programs are short code snippets, which are easy to modify and fast to execute using OpenGL. The proposed dataset can be used for both supervised and unsupervised representation learning, and reduces the gap between pre-training with real and procedurally generated images by 38%.

A fundamental ability of an intelligent web-based agent is seeking out and acquiring new information. Internet search engines reliably find the correct vicinity but the top results may be a few links away from the desired target. A complementary approach is navigation via hyperlinks, employing a policy that comprehends local content and selects a link that moves it closer to the target. In this paper, we show that behavioral cloning of randomly sampled trajectories is sufficient to learn an effective link selection policy. We demonstrate the approach on a graph version of Wikipedia with 38M nodes and 387M edges. The model is able to efficiently navigate between nodes 5 and 20 steps apart 96% and 92% of the time, respectively. We then use the resulting embeddings and policy in downstream fact verification and question answering tasks where, in combination with basic TF-IDF search and ranking methods, they are competitive results to the state-of-the-art methods.

Personalized Federated Learning faces many challenges such as expensive communication costs, training-time adversarial attacks, and performance unfairness across devices. Recent developments witness a trade-off between a reference model and local models to achieve personalization. We follow the avenue and propose a personalized FL method towards the three goals. When it is time to communicate, our method projects local models into a shared-and-fixed low-dimensional random subspace and uses infimal convolution to control the deviation between the reference model and projected local models. We theoretically show our method converges for smooth objectives with square regularizers and the convergence dependence on the projection dimension is mild. We also illustrate the benefits of robustness and fairness on a class of linear problems. Finally, we conduct a large number of experiments to show the empirical superiority of our method over several state-of-the-art methods on the three aspects.

Machine Learning (ML) research has focused on maximizing the accuracy of predictive tasks. ML models, however, are increasingly more complex, resource intensive, and costlier to deploy in resource-constrained environments. These issues are exacerbated for prediction tasks with sequential classification on progressively transitioned stages with “happens-before” relation between them.We argue that it is possible to “unfold” a monolithic single multi-class classifier, typically trained for all stages using all data, into a series of single-stage classifiers. Each single- stage classifier can be cascaded gradually from cheaper to more expensive binary classifiers that are trained using only the necessary data modalities or features required for that stage. UnfoldML is a cost-aware and uncertainty-based dynamic 2D prediction pipeline for multi-stage classification that enables (1) navigation of the accuracy/cost tradeoff space, (2) reducing the spatio-temporal cost of inference by orders of magnitude, and (3) early prediction on proceeding stages. UnfoldML achieves orders of magnitude better cost in clinical settings, while detecting multi- stage disease development in real time. It achieves within 0.1% accuracy from the highest-performing multi-class baseline, while saving close to 20X on spatio- temporal cost of inference and earlier (3.5hrs) disease onset prediction. We also show that UnfoldML generalizes to image classification, where it can predict different level of labels (from coarse to fine) given different level of abstractions of a image, saving close to 5X cost with as little as 0.4% accuracy reduction.

How many degrees of freedom are there in a dataset consisting of $M$ samples embedded in $\mathbb{R}^D$? This number, formally known as \textsl{intrinsic dimensionality}, can be estimated using nearest neighbor statistics. However, nearest neighbor statistics do not scale to large datasets as their complexity scales quadratically in $M$, $\mathcal{O}(M^2)$. Additionally, methods based on nearest neighbor statistics perform poorly on datasets embedded in high dimensions where $D\gg 1$. In this paper, we propose a novel method to estimate the intrinsic dimensionality using Normalizing Flows that scale to large datasets and high dimensions. The method is based on some simple back-of-the-envelope calculations predicting how the singular values of the flow's Jacobian change when inflating the dataset with different noise magnitudes. Singular values associated with directions normal to the manifold evolve differently than singular values associated with directions tangent to the manifold. We test our method on various datasets, including 64x64 RGB images, where we achieve state-of-the-art results.

In recent years, deep generative models have attracted increasing interest due to their capacity to model complex distributions. Among those models, variational autoencoders have gained popularity as they have proven both to be computationally efficient and yield impressive results in multiple fields. Following this breakthrough, extensive research has been done in order to improve the original publication, resulting in a variety of different VAE models in response to different tasks. In this paper we present \textbf{Pythae}, a versatile \textit{open-source} Python library providing both a \textit{unified implementation} and a dedicated framework allowing \textit{straightforward}, \emph{reproducible} and \textit{reliable} use of generative autoencoder models. We then propose to use this library to perform a case study benchmark where we present and compare 19 generative autoencoder models representative of some of the main improvements on downstream tasks such as image reconstruction, generation, classification, clustering and interpolation. The open-source library can be found at \url{https://github.com/clementchadebec/benchmark_VAE}.

The number of states in a dynamic process is exponential in the number of objects, making reinforcement learning (RL) difficult in complex, multi-object domains. For agents to scale to the real world, they will need to react to and reason about unseen combinations of objects. We argue that the ability to recognize and use local factorization in transition dynamics is a key element in unlocking the power of multi-object reasoning. To this end, we show that (1) known local structure in the environment transitions is sufficient for an exponential reduction in the sample complexity of training a dynamics model, and (2) a locally factored dynamics model provably generalizes out-of-distribution to unseen states and actions. Knowing the local structure also allows us to predict which unseen states and actions this dynamics model will generalize to. We propose to leverage these observations in a novel Model-based Counterfactual Data Augmentation (MoCoDA) framework. MoCoDA applies a learned locally factored dynamics model to an augmented distribution of states and actions to generate counterfactual transitions for RL. MoCoDA works with a broader set of local structures than prior work and allows for direct control over the augmented training distribution. We show that MoCoDA enables RL agents to learn policies that generalize to unseen states and actions. We use MoCoDA to train an offline RL agent to solve an out-of-distribution robotics manipulation task on which standard offline RL algorithms fail.

Molecular conformer generation is a fundamental task in computational chemistry. Several machine learning approaches have been developed, but none have outperformed state-of-the-art cheminformatics methods. We propose torsional diffusion, a novel diffusion framework that operates on the space of torsion angles via a diffusion process on the hypertorus and an extrinsic-to-intrinsic score model. On a standard benchmark of drug-like molecules, torsional diffusion generates superior conformer ensembles compared to machine learning and cheminformatics methods in terms of both RMSD and chemical properties, and is orders of magnitude faster than previous diffusion-based models. Moreover, our model provides exact likelihoods, which we employ to build the first generalizable Boltzmann generator. Code is available at https://github.com/gcorso/torsional-diffusion.

Vision Transformers (ViTs) yield impressive performance across various vision tasks. However, heavy computation and memory footprint make them inaccessible for edge devices. Previous works apply importance criteria determined independently by each individual component to prune ViTs. Considering that heterogeneous components in ViTs play distinct roles, these approaches lead to suboptimal performance. In this paper, we introduce joint importance, which integrates essential structural-aware interactions between components for the first time, to perform collaborative pruning. Based on the theoretical analysis, we construct a Taylor-based approximation to evaluate the joint importance. This guides pruning toward a more balanced reduction across all components. To further reduce the algorithm complexity, we incorporate the interactions into the optimization function under some mild assumptions. Moreover, the proposed method can be seamlessly applied to various tasks including object detection. Extensive experiments demonstrate the effectiveness of our method. Notably, the proposed approach outperforms the existing state-of-the-art approaches on ImageNet, increasing accuracy by 0.7% over the DeiT-Base baseline while saving 50% FLOPs. On COCO, we are the first to show that 70% FLOPs of FasterRCNN with ViT backbone can be removed with only 0.3% mAP drop. The code is available at https://github.com/hikvision-research/SAViT.

In this paper we study two-player bilinear zero-sum games with constrained strategy spaces. An instance of natural occurrences of such constraints is when mixed strategies are used, which correspond to a probability simplex constraint. We propose and analyze the alternating mirror descent algorithm, in which each player takes turns to take action following the mirror descent algorithm for constrained optimization. We interpret alternating mirror descent as an alternating discretization of a skew-gradient flow in the dual space, and use tools from convex optimization and modified energy function to establish an $O(K^{-2/3})$ bound on its average regret after $K$ iterations. This quantitatively verifies the algorithm's better behavior than the simultaneous version of mirror descent algorithm, which is known to diverge and yields an $O(K^{-1/2})$ average regret bound. In the special case of an unconstrained setting, our results recover the behavior of alternating gradient descent algorithm for zero-sum games which was studied in (Bailey et al., COLT 2020).

Despite the empirical success of deep meta-learning, theoretical understanding of overparameterized meta-learning is still limited. This paper studies the generalization of a widely used meta-learning approach, Model-Agnostic Meta-Learning (MAML), which aims to find a good initialization for fast adaptation to new tasks. Under a mixed linear regression model, we analyze the generalization properties of MAML trained with SGD in the overparameterized regime. We provide both upper and lower bounds for the excess risk of MAML, which captures how SGD dynamics affect these generalization bounds. With such sharp characterizations, we further explore how various learning parameters impact the generalization capability of overparameterized MAML, including explicitly identifying typical data and task distributions that can achieve diminishing generalization error with overparameterization, and characterizing the impact of adaptation learning rate on both excess risk and the early stopping time. Our theoretical findings are further validated by experiments.

Numerous subgraph-enhanced graph neural networks (GNNs) have emerged recently, provably boosting the expressive power of standard (message-passing) GNNs. However, there is a limited understanding of how these approaches relate to each other and to the Weisfeiler-Leman hierarchy. Moreover, current approaches either use all subgraphs of a given size, sample them uniformly at random, or use hand-crafted heuristics instead of learning to select subgraphs in a data-driven manner. Here, we offer a unified way to study such architectures by introducing a theoretical framework and extending the known expressivity results of subgraph-enhanced GNNs. Concretely, we show that increasing subgraph size always increases the expressive power and develop a better understanding of their limitations by relating them to the established $k\mathsf{\text{-}WL}$ hierarchy. In addition, we explore different approaches for learning to sample subgraphs using recent methods for backpropagating through complex discrete probability distributions. Empirically, we study the predictive performance of different subgraph-enhanced GNNs, showing that our data-driven architectures increase prediction accuracy on standard benchmark datasets compared to non-data-driven subgraph-enhanced graph neural networks while reducing computation time.

We focus on causal discovery in the presence of measurement error in linear systems where the mixing matrix, i.e., the matrix indicating the independent exogenous noise terms pertaining to the observed variables, is identified up to permutation and scaling of the columns. We demonstrate a somewhat surprising connection between this problem and causal discovery in the presence of unobserved parentless causes, in the sense that there is a mapping, given by the mixing matrix, between the underlying models to be inferred in these problems. Consequently, any identifiability result based on the mixing matrix for one model translates to an identifiability result for the other model. We characterize to what extent the causal models can be identified under a two-part faithfulness assumption. Under only the first part of the assumption (corresponding to the conventional definition of faithfulness), the structure can be learned up to the causal ordering among an ordered grouping of the variables but not all the edges across the groups can be identified. We further show that if both parts of the faithfulness assumption are imposed, the structure can be learned up to a more refined ordered grouping. As a result of this refinement, for the latent variable model with unobserved parentless causes, the structure can be identified. Based on our theoretical results, we propose causal structure learning methods for both models, and evaluate their performance on synthetic data.

We study two basic statistical tasks in non-interactive local differential privacy (LDP): *learning* and *refutation*: learning requires finding a concept that best fits an unknown target function (from labelled samples drawn from a distribution), whereas refutation requires distinguishing between data distributions that are well-correlated with some concept in the class, versus distributions where the labels are random. Our main result is a complete characterization of the sample complexity of agnostic PAC learning for non-interactive LDP protocols. We show that the optimal sample complexity for any concept class is captured by the approximate $\gamma_2$ norm of a natural matrix associated with the class. Combined with previous work, this gives an *equivalence* between agnostic learning and refutation in the agnostic setting.