NeurIPS 2023 论文列表

Learning curve extrapolation aims to predict model performance in later epochs of training, based on the performance in earlier epochs. In this work, we argue that, while the inherent uncertainty in the extrapolation of learning curves warrants a Bayesian approach, existing methods are (i) overly restrictive, and/or (ii) computationally expensive. We describe the first application of prior-data fitted neural networks (PFNs) in this context. A PFN is a transformer, pre-trained on data generated from a prior, to perform approximate Bayesian inference in a single forward pass. We propose LC-PFN, a PFN trained to extrapolate 10 million artificial right-censored learning curves generated from a parametric prior proposed in prior art using MCMC. We demonstrate that LC-PFN can approximate the posterior predictive distribution more accurately than MCMC, while being over 10 000 times faster. We also show that the same LC-PFN achieves competitive performance extrapolating a total of 20 000 real learning curves from four learning curve benchmarks (LCBench, NAS-Bench-201, Taskset, and PD1) that stem from training a wide range of model architectures (MLPs, CNNs, RNNs, and Transformers) on 53 different datasets with varying input modalities (tabular, image, text, and protein data). Finally, we investigate its potential in the context of model selection and find that a simple LC-PFN based predictive early stopping criterion obtains 2 - 6x speed-ups on 45 of these datasets, at virtually no overhead.

In this paper, we propose a novel and powerful method to harness Bayesian optimization for variational quantum eigensolvers (VQEs) - a hybrid quantum-classical protocol used to approximate the ground state of a quantum Hamiltonian. Specifically, we derive a *VQE-kernel* which incorporates important prior information about quantum circuits: the kernel feature map of the VQE-kernel exactly matches the known functional form of the VQE's objective function and thereby significantly reduces the posterior uncertainty. Moreover, we propose a novel acquisition function for Bayesian optimization called \emph{Expected Maximum Improvement over Confident Regions} (EMICoRe) which can actively exploit the inductive bias of the VQE-kernel by treating regions with low predictive uncertainty as indirectly "observed". As a result, observations at as few as three points in the search domain are sufficient to determine the complete objective function along an entire one-dimensional subspace of the optimization landscape. Our numerical experiments demonstrate that our approach improves over state-of-the-art baselines.

We introduce WordScape, a novel pipeline for the creation of cross-disciplinary, multilingual corpora comprising millions of pages with annotations for document layout detection. Relating visual and textual items on document pages has gained further significance with the advent of multimodal models. Various approaches proved effective for visual question answering or layout segmentation. However, the interplay of text, tables, and visuals remains challenging for a variety of document understanding tasks. In particular, many models fail to generalize well to diverse domains and new languages due to insufficient availability of training data. WordScape addresses these limitations. Our automatic annotation pipeline parses the Open XML structure of Word documents obtained from the web, jointly providing layout-annotated document images and their textual representations. In turn, WordScape offers unique properties as it (1) leverages the ubiquity of the Word file format on the internet, (2) is readily accessible through the Common Crawl web corpus, (3) is adaptive to domain-specific documents, and (4) offers culturally and linguistically diverse document pages with natural semantic structure and high-quality text. Together with the pipeline, we will additionally release 9.5M urls to word documents which can be processed using WordScape to create a dataset of over 40M pages. Finally, we investigate the quality of text and layout annotations extracted by WordScape, assess the impact on document understanding benchmarks, and demonstrate that manual labeling costs can be substantially reduced.

Deep reinforcement learning (DRL) has led to a wide range of advances in sequential decision-making tasks. However, the complexity of neural network policies makes it difficult to understand and deploy with limited computational resources. Currently, employing compact symbolic expressions as symbolic policies is a promising strategy to obtain simple and interpretable policies. Previous symbolic policy methods usually involve complex training processes and pre-trained neural network policies, which are inefficient and limit the application of symbolic policies. In this paper, we propose an efficient gradient-based learning method named Efficient Symbolic Policy Learning (ESPL) that learns the symbolic policy from scratch in an end-to-end way. We introduce a symbolic network as the search space and employ a path selector to find the compact symbolic policy. By doing so we represent the policy with a differentiable symbolic expression and train it in an off-policy manner which further improves the efficiency. In addition, in contrast with previous symbolic policies which only work in single-task RL because of complexity, we expand ESPL on meta-RL to generate symbolic policies for unseen tasks. Experimentally, we show that our approach generates symbolic policies with higher performance and greatly improves data efficiency for single-task RL. In meta-RL, we demonstrate that compared with neural network policies the proposed symbolic policy achieves higher performance and efficiency and shows the potential to be interpretable.

Pruning at initialization (PaI) aims to remove weights of neural networks before training in pursuit of training efficiency besides the inference. While off-the-shelf PaI methods manage to find trainable subnetworks that outperform random pruning, their performance in terms of both accuracy and computational reduction is far from satisfactory compared to post-training pruning and the understanding of PaI is missing. For instance, recent studies show that existing PaI methods only able to find good layerwise sparsities not weights, as the discovered subnetworks are surprisingly resilient against layerwise random mask shuffling and weight re-initialization. In this paper, we study PaI from a brand-new perspective -- the topology of subnetworks. In particular, we propose a principled framework for analyzing the performance of Pruning and Initialization (PaI) methods with two quantities, namely, the number of effective paths and effective nodes. These quantities allow for a more comprehensive understanding of PaI methods, giving us an accurate assessment of different subnetworks at initialization. We systematically analyze the behavior of various PaI methods through our framework and observe a guiding principle for constructing effective subnetworks: *at a specific sparsity, the top-performing subnetwork always presents a good balance between the number of effective nodes and the number of effective paths.* Inspired by this observation, we present a novel data-agnostic pruning method by solving a multi-objective optimization problem. By conducting extensive experiments across different architectures and datasets, our results demonstrate that our approach outperforms state-of-the-art PaI methods while it is able to discover subnetworks that have much lower inference FLOPs (up to 3.4$\times$). Code will be fully released.

We study the problem of sequential prediction in the stochastic setting with an adversary that is allowed to inject clean-label adversarial (or out-of-distribution) examples. Algorithms designed to handle purely stochastic data tend to fail in the presence of such adversarial examples, often leading to erroneous predictions. This is undesirable in many high-stakes applications such as medical recommendations, where abstaining from predictions on adversarial examples is preferable to misclassification. On the other hand, assuming fully adversarial data leads to very pessimistic bounds that are often vacuous in practice. To move away from these pessimistic guarantees, we propose a new model of sequential prediction that sits between the purely stochastic and fully adversarial settings by allowing the learner to abstain from making a prediction at no cost on adversarial examples, thereby asking the learner to make predictions with certainty. Assuming access to the marginal distribution on the non-adversarial examples, we design a learner whose error scales with the VC dimension (mirroring the stochastic setting) of the hypothesis class, as opposed to the Littlestone dimension which characterizes the fully adversarial setting. Furthermore, we design learners for VC dimension~1 classes and the class of axis-aligned rectangles, which work even in the absence of access to the marginal distribution. Our key technical contribution is a novel measure for quantifying uncertainty for learning VC classes, which may be of independent interest.

Large vision-language models (VLMs) such as GPT-4 have achieved unprecedented performance in response generation, especially with visual inputs, enabling more creative and adaptable interaction than large language models such as ChatGPT. Nonetheless, multimodal generation exacerbates safety concerns, since adversaries may successfully evade the entire system by subtly manipulating the most vulnerable modality (e.g., vision). To this end, we propose evaluating the robustness of open-source large VLMs in the most realistic and high-risk setting, where adversaries have only black-box system access and seek to deceive the model into returning the targeted responses. In particular, we first craft targeted adversarial examples against pretrained models such as CLIP and BLIP, and then transfer these adversarial examples to other VLMs such as MiniGPT-4, LLaVA, UniDiffuser, BLIP-2, and Img2Prompt. In addition, we observe that black-box queries on these VLMs can further improve the effectiveness of targeted evasion, resulting in a surprisingly high success rate for generating targeted responses. Our findings provide a quantitative understanding regarding the adversarial vulnerability of large VLMs and call for a more thorough examination of their potential security flaws before deployment in practice. Our project page: https://yunqing-me.github.io/AttackVLM/.

Conditional Neural Processes (CNPs) are a class of metalearning models popular for combining the runtime efficiency of amortized inference with reliable uncertainty quantification. Many relevant machine learning tasks, such as in spatio-temporal modeling, Bayesian Optimization and continuous control, inherently contain equivariances – for example to translation – which the model can exploit for maximal performance. However, prior attempts to include equivariances in CNPs do not scale effectively beyond two input dimensions. In this work, we propose Relational Conditional Neural Processes (RCNPs), an effective approach to incorporate equivariances into any neural process model. Our proposed method extends the applicability and impact of equivariant neural processes to higher dimensions. We empirically demonstrate the competitive performance of RCNPs on a large array of tasks naturally containing equivariances.

In reinforcement learning (RL), representation learning is a proven tool for complex image-based tasks, but is often overlooked for environments with low-level states, such as physical control problems. This paper introduces SALE, a novel approach for learning embeddings that model the nuanced interaction between state and action, enabling effective representation learning from low-level states. We extensively study the design space of these embeddings and highlight important design considerations. We integrate SALE and an adaptation of checkpoints for RL into TD3 to form the TD7 algorithm, which significantly outperforms existing continuous control algorithms. On OpenAI gym benchmark tasks, TD7 has an average performance gain of 276.7% and 50.7% over TD3 at 300k and 5M time steps, respectively, and works in both the online and offline settings.

Feature bagging is a well-established ensembling method which aims to reduce prediction variance by combining predictions of many estimators trained on subsets or projections of features. Here, we develop a theory of feature-bagging in noisy least-squares ridge ensembles and simplify the resulting learning curves in the special case of equicorrelated data. Using analytical learning curves, we demonstrate that subsampling shifts the double-descent peak of a linear predictor. This leads us to introduce heterogeneous feature ensembling, with estimators built on varying numbers of feature dimensions, as a computationally efficient method to mitigate double-descent. Then, we compare the performance of a feature-subsampling ensemble to a single linear predictor, describing a trade-off between noise amplification due to subsampling and noise reduction due to ensembling. Our qualitative insights carry over to linear classifiers applied to image classification tasks with realistic datasets constructed using a state-of-the-art deep learning feature map.

Data pruning, which aims to downsize a large training set into a small informative subset, is crucial for reducing the enormous computational costs of modern deep learning. Though large-scale data collections invariably contain annotation noise and numerous robust learning methods have been developed, data pruning for the noise-robust learning scenario has received little attention. With state-of-the-art Re-labeling methods that self-correct erroneous labels while training, it is challenging to identify which subset induces the most accurate re-labeling of erroneous labels in the entire training set. In this paper, we formalize the problem of data pruning with re-labeling. We first show that the likelihood of a training example being correctly re-labeled is proportional to the prediction confidence of its neighborhood in the subset. Therefore, we propose a novel data pruning algorithm, Prune4Rel, that finds a subset maximizing the total neighborhood confidence of all training examples, thereby maximizing the re-labeling accuracy and generalization performance. Extensive experiments on four real and one synthetic noisy datasets show that Prune4Rel outperforms the baselines with Re-labeling models by up to 9.1% as well as those with a standard model by up to 21.6%.

As graph neural networks (GNNs) struggle with large-scale graphs due to high computational demands, data distillation for graph data promises to alleviate this issue by distilling a large real graph into a smaller distilled graph while maintaining comparable prediction performance for GNNs trained on both graphs. However, we observe that GNNs trained on distilled graphs may exhibit more severe group fairness problems than those trained on real graphs. Motivated by this observation, we propose \textit{fair graph distillation} (\Algnameabbr), an approach for generating small distilled \textit{fair and informative} graphs based on the graph distillation method. The challenge lies in the deficiency of sensitive attributes for nodes in the distilled graph, making most debiasing methods (e.g., regularization and adversarial debiasing) intractable for distilled graphs. We develop a simple yet effective bias metric, called coherence, for distilled graphs. Based on the proposed coherence metric, we introduce a framework for fair graph distillation using a bi-level optimization algorithm. Extensive experiments demonstrate that the proposed algorithm can achieve better prediction performance-fairness trade-offs across various datasets and GNN architectures.

The past decade has witnessed the flourishing of a new profession as media content creators, who rely on revenue streams from online content recommendation platforms. The reward mechanism employed by these platforms creates a competitive environment among creators which affects their production choices and, consequently, content distribution and system welfare. It is thus crucial to design the platform's reward mechanism in order to steer the creators' competition towards a desirable welfare outcome in the long run. This work makes two major contributions in this regard: first, we uncover a fundamental limit about a class of widely adopted mechanisms, coined \emph{Merit-based Monotone Mechanisms}, by showing that they inevitably lead to a constant fraction loss of the optimal welfare. To circumvent this limitation, we introduce \emph{Backward Rewarding Mechanisms} (BRMs) and show that the competition game resultant from BRMs possesses a potential game structure. BRMs thus naturally induce strategic creators' collective behaviors towards optimizing the potential function, which can be designed to match any given welfare metric. In addition, the class of BRM can be parameterized so that it allows the platform to directly optimize welfare within the feasible mechanism space even when the welfare metric is not explicitly defined.

This paper addresses the challenge of representing high-fidelity volumetric videos with low storage cost. Some recent feature grid-based methods have shown superior performance of fast learning implicit neural representations from input 2D images. However, such explicit representations easily lead to large model sizes when modeling dynamic scenes. To solve this problem, our key idea is reducing the spatial and temporal redundancy of feature grids, which intrinsically exist due to the self-similarity of scenes. To this end, we propose a novel neural representation, named dynamic codebook, which first merges similar features for the model compression and then compensates for the potential decline in rendering quality by a set of dynamic codes. Experiments on the NHR and DyNeRF datasets demonstrate that the proposed approach achieves state-of-the-art rendering quality, while being able to achieve more storage efficiency. The source code is available at https://github.com/zju3dv/compact_vv.

Graph Structure Learning (GSL) has recently garnered considerable attention due to its ability to optimize both the parameters of Graph Neural Networks (GNNs) and the computation graph structure simultaneously. Despite the proliferation of GSL methods developed in recent years, there is no standard experimental setting or fair comparison for performance evaluation, which creates a great obstacle to understanding the progress in this field. To fill this gap, we systematically analyze the performance of GSL in different scenarios and develop a comprehensive Graph Structure Learning Benchmark (GSLB) curated from 20 diverse graph datasets and 16 distinct GSL algorithms. Specifically, GSLB systematically investigates the characteristics of GSL in terms of three dimensions: effectiveness, robustness, and complexity. We comprehensively evaluate state-of-the-art GSL algorithms in node- and graph-level tasks, and analyze their performance in robust learning and model complexity. Further, to facilitate reproducible research, we have developed an easy-to-use library for training, evaluating, and visualizing different GSL methods. Empirical results of our extensive experiments demonstrate the ability of GSL and reveal its potential benefits on various downstream tasks, offering insights and opportunities for future research. The code of GSLB is available at: https://github.com/GSL-Benchmark/GSLB.

Most text-driven human motion generation methods employ sequential modeling approaches, e.g., transformer, to extract sentence-level text representations automatically and implicitly for human motion synthesis. However, these compact text representations may overemphasize the action names at the expense of other important properties and lack fine-grained details to guide the synthesis of subtly distinct motion. In this paper, we propose hierarchical semantic graphs for fine-grained control over motion generation. Specifically, we disentangle motion descriptions into hierarchical semantic graphs including three levels of motions, actions, and specifics. Such global-to-local structures facilitate a comprehensive understanding of motion description and fine-grained control of motion generation. Correspondingly, to leverage the coarse-to-fine topology of hierarchical semantic graphs, we decompose the text-to-motion diffusion process into three semantic levels, which correspond to capturing the overall motion, local actions, and action specifics. Extensive experiments on two benchmark human motion datasets, including HumanML3D and KIT, with superior performances, justify the efficacy of our method. More encouragingly, by modifying the edge weights of hierarchical semantic graphs, our method can continuously refine the generated motion, which may have a far-reaching impact on the community. Code and pre-trained weights are available at https://github.com/jpthu17/GraphMotion.

In this paper, we contribute to solving a threefold problem: outlier rejection, true model reasoning and parameter estimation with a unified optimization modeling. To this end, we first pose this task as a sparse subspace recovering problem, to search a maximum of independent bases under an over-embedded data space. Then we convert the objective into a continuous optimization paradigm that estimates sparse solutions for both bases and errors. Wherein a fast and robust solver is proposed to accurately estimate the sparse subspace parameters and error entries, which is implemented by a proximal approximation method under the alternating optimization framework with the ``optimal'' sub-gradient descent. Extensive experiments regarding known and unknown model fitting on synthetic and challenging real datasets have demonstrated the superiority of our method against the state-of-the-art. We also apply our method to multi-class multi-model fitting and loop closure detection, and achieve promising results both in accuracy and efficiency. Code is released at: https://github.com/StaRainJ/DSP.

Deep neural networks are widely known for their remarkable effectiveness across various tasks, with the consensus that deeper networks implicitly learn more complex data representations. This paper shows that sufficiently deep networks trained for supervised image classification split into two distinct parts that contribute to the resulting data representations differently. The initial layers create linearly-separable representations, while the subsequent layers, which we refer to as \textit{the tunnel}, compress these representations and have a minimal impact on the overall performance. We explore the tunnel's behavior through comprehensive empirical studies, highlighting that it emerges early in the training process. Its depth depends on the relation between the network's capacity and task complexity. Furthermore, we show that the tunnel degrades out-of-distribution generalization and discuss its implications for continual learning.

We establish stability of random forests under the mild condition that the squared response ($Y^2$) does not have a heavy tail. In particular, our analysis holds for the practical version of random forests that is implemented in popular packages like \texttt{randomForest} in \texttt{R}. Empirical results show that stability may persist even beyond our assumption and hold for heavy-tailed $Y^2$. Using the stability property, we prove a non-asymptotic lower bound for the coverage probability of prediction intervals constructed from the out-of-bag error of random forests. With another mild condition that is typically satisfied when $Y$ is continuous, we also establish a complementary upper bound, which can be similarly established for the jackknife prediction interval constructed from an arbitrary stable algorithm. We also discuss the asymptotic coverage probability under assumptions weaker than those considered in previous literature. Our work implies that random forests, with its stability property, is an effective machine learning method that can provide not only satisfactory point prediction but also justified interval prediction at almost no extra computational cost.