NeurIPS 2023 论文列表

We present a PTAS for learning random constant-depth networks. We show that for any fixed $\epsilon>0$ and depth $i$, there is a poly-time algorithm that for any distribution on $\sqrt{d} \cdot \mathbb{S}^{d-1}$ learns random Xavier networks of depth $i$, up to an additive error of $\epsilon$. The algorithm runs in time and sample complexity of $(\bar{d})^{\mathrm{poly}(\epsilon^{-1})}$, where $\bar d$ is the size of the network. For some cases of sigmoid and ReLU-like activations the bound can be improved to $(\bar{d})^{\mathrm{polylog}(\epsilon^{-1})}$, resulting in a quasi-poly-time algorithm for learning constant depth random networks.

Recent studies have shown that graph neural networks (GNNs) exhibit strong biases towards the node degree: they usually perform satisfactorily on high-degree nodes with rich neighbor information but struggle with low-degree nodes. Existing works tackle this problem by deriving either designated GNN architectures or training strategies specifically for low-degree nodes. Though effective, these approaches unintentionally create an artificial out-of-distribution scenario, where models mainly or even only observe low-degree nodes during the training, leading to a downgraded performance for high-degree nodes that GNNs originally perform well at. In light of this, we propose a test-time augmentation framework, namely GraphPatcher, to enhance test-time generalization of any GNNs on low-degree nodes. Specifically, GraphPatcher iteratively generates virtual nodes to patch artificially created low-degree nodes via corruptions, aiming at progressively reconstructing target GNN's predictions over a sequence of increasingly corrupted nodes. Through this scheme, GraphPatcher not only learns how to enhance low-degree nodes (when the neighborhoods are heavily corrupted) but also preserves the original superior performance of GNNs on high-degree nodes (when lightly corrupted). Additionally, GraphPatcher is model-agnostic and can also mitigate the degree bias for either self-supervised or supervised GNNs. Comprehensive experiments are conducted over seven benchmark datasets and GraphPatcher consistently enhances common GNNs' overall performance by up to 3.6% and low-degree performance by up to 6.5%, significantly outperforming state-of-the-art baselines. The source code is publicly available at https://github.com/jumxglhf/GraphPatcher.

The human visual system can effortlessly recognize an object under different extrinsic factors such as lighting, object poses, and background, yet current computer vision systems often struggle with these variations. An important step to understanding and improving artificial vision systems is to measure image similarity purely based on intrinsic object properties that define object identity. This problem has been studied in the computer vision literature as re-identification, though mostly restricted to specific object categories such as people and cars. We propose to extend it to general object categories, exploring an image similarity metric based on object intrinsics. To benchmark such measurements, we collect the Common paired objects Under differenT Extrinsics (CUTE) dataset of 18, 000 images of 180 objects under different extrinsic factors such as lighting, poses, and imaging conditions. While existing methods such as LPIPS and CLIP scores do not measure object intrinsics well, we find that combining deep features learned from contrastive self-supervised learning with foreground filtering is a simple yet effective approach to approximating the similarity. We conduct an extensive survey of pre-trained features and foreground extraction methods to arrive at a strong baseline that best measures intrinsic object-centric image similarity among current methods. Finally, we demonstrate that our approach can aid in downstream applications such as acting as an analog for human subjects and improving generalizable re-identification. Please see our project website at https://s-tian.github.io/projects/cute/ for visualizations of the data and demos of our metric.

Reinforcement Learning (RL) algorithms typically utilize learning and/or planning techniques to derive effective policies. The integration of both approaches has proven to be highly successful in addressing complex sequential decision-making challenges, as evidenced by algorithms such as AlphaZero and MuZero, which consolidate the planning process into a parametric search-policy. AIXI, the most potent theoretical universal agent, leverages planning through comprehensive search as its primary means to find an optimal policy. Here we define an alternative universal agent, which we call Self-AIXI, that on the contrary to AIXI, maximally exploits learning to obtain good policies. It does so by self-predicting its own stream of action data, which is generated, similarly to other TD(0) agents, by taking an action maximization step over the current on-policy (universal mixture-policy) Q-value estimates. We prove that Self-AIXI converges to AIXI, and inherits a series of properties like maximal Legg-Hutter intelligence and the self-optimizing property.

In a backdoor attack, an adversary injects corrupted data into a model's training dataset in order to gain control over its predictions on images with a specific attacker-defined trigger. A typical corrupted training example requires altering both the image, by applying the trigger, and the label. Models trained on clean images, therefore, were considered safe from backdoor attacks. However, in some common machine learning scenarios, the training labels are provided by potentially malicious third-parties. This includes crowd-sourced annotation and knowledge distillation. We, hence, investigate a fundamental question: can we launch a successful backdoor attack by only corrupting labels? We introduce a novel approach to design label-only backdoor attacks, which we call FLIP, and demonstrate its strengths on three datasets (CIFAR-10, CIFAR-100, and Tiny-ImageNet) and four architectures (ResNet-32, ResNet-18, VGG-19, and Vision Transformer). With only 2% of CIFAR-10 labels corrupted, FLIP achieves a near-perfect attack success rate of 99.4% while suffering only a 1.8% drop in the clean test accuracy. Our approach builds upon the recent advances in trajectory matching, originally introduced for dataset distillation.

Multi-objective reinforcement learning (MORL) has been proposed to learn control policies over multiple competing objectives with each possible preference over returns. However, current MORL algorithms fail to account for distributional preferences over the multi-variate returns, which are particularly important in real-world scenarios such as autonomous driving. To address this issue, we extend the concept of Pareto-optimality in MORL into distributional Pareto-optimality, which captures the optimality of return distributions, rather than the expectations. Our proposed method, called Distributional Pareto-Optimal Multi-Objective Reinforcement Learning~(DPMORL), is capable of learning distributional Pareto-optimal policies that balance multiple objectives while considering the return uncertainty. We evaluated our method on several benchmark problems and demonstrated its effectiveness in discovering distributional Pareto-optimal policies and satisfying diverse distributional preferences compared to existing MORL methods.

Score distillation sampling (SDS) has shown great promise in text-to-3D generation by distilling pretrained large-scale text-to-image diffusion models, but suffers from over-saturation, over-smoothing, and low-diversity problems. In this work, we propose to model the 3D parameter as a random variable instead of a constant as in SDS and present *variational score distillation* (VSD), a principled particle-based variational framework to explain and address the aforementioned issues in text-to-3D generation. We show that SDS is a special case of VSD and leads to poor samples with both small and large CFG weights. In comparison, VSD works well with various CFG weights as ancestral sampling from diffusion models and simultaneously improves the diversity and sample quality with a common CFG weight (i.e., 7.5). We further present various improvements in the design space for text-to-3D such as distillation time schedule and density initialization, which are orthogonal to the distillation algorithm yet not well explored. Our overall approach, dubbed *ProlificDreamer*, can generate high rendering resolution (i.e., 512$\times$512) and high-fidelity NeRF with rich structure and complex effects (e.g., smoke and drops). Further, initialized from NeRF, meshes fine-tuned by VSD are meticulously detailed and photo-realistic.

Precise hardware performance models play a crucial role in code optimizations. They can assist compilers in making heuristic decisions or aid autotuners in identifying the optimal configuration for a given program. For example, the autotuner for XLA, a machine learning compiler, discovered 10–20\% speedup on state-of-the-art models serving substantial production traffic at Google. Although there exist a few datasets for program performance prediction, they target small sub-programs such as basic blocks or kernels. This paper introduces TpuGraphs, a performance prediction dataset on full tensor programs, represented as computational graphs, running on Tensor Processing Units (TPUs). Each graph in the dataset represents the main computation of a machine learning workload, e.g., a training epoch or an inference step. Each data sample contains a computational graph, a compilation configuration, and the execution time of the graph when compiled with the configuration. The graphs in the dataset are collected from open-source machine learning programs, featuring popular model architectures (e.g., ResNet, EfficientNet, Mask R-CNN, and Transformer). TpuGraphs provides 25x more graphs than the largest graph property prediction dataset (with comparable graph sizes), and 770x larger graphs on average compared to existing performance prediction datasets on machine learning programs. This graph-level prediction task on large graphs introduces new challenges in learning, ranging from scalability, training efficiency, to model quality.

Solving the quantum many-body Schrödinger equation is a fundamental and challenging problem in the fields of quantum physics, quantum chemistry, and material sciences. One of the common computational approaches to this problem is Quantum Variational Monte Carlo (QVMC), in which ground-state solutions are obtained by minimizing the energy of the system within a restricted family of parameterized wave functions. Deep learning methods partially address the limitations of traditional QVMC by representing a rich family of wave functions in terms of neural networks. However, the optimization objective in QVMC remains notoriously hard to minimize and requires second-order optimization methods such as natural gradient. In this paper, we first reformulate energy functional minimization in the space of Born distributions corresponding to particle-permutation (anti-)symmetric wave functions, rather than the space of wave functions. We then interpret QVMC as the Fisher--Rao gradient flow in this distributional space, followed by a projection step onto the variational manifold. This perspective provides us with a principled framework to derive new QMC algorithms, by endowing the distributional space with better metrics, and following the projected gradient flow induced by those metrics. More specifically, we propose "Wasserstein Quantum Monte Carlo" (WQMC), which uses the gradient flow induced by the Wasserstein metric, rather than the Fisher--Rao metric, and corresponds to *transporting* the probability mass, rather than *teleporting* it. We demonstrate empirically that the dynamics of WQMC results in faster convergence to the ground state of molecular systems.

Modern reinforcement learning (RL) has shown empirical success in various real world settings with complex models and large state-action spaces. The existing analytical results, however, typically focus on settings with a small number of state-actions or simple models such as linearly modeled state-action value functions. To derive RL policies that efficiently handle large state-action spaces with more general value functions, some recent works have considered nonlinear function approximation using kernel ridge regression. We propose $\pi$-KRVI, an optimistic modification of least-squares value iteration, when the action-value function is represented by an RKHS. We prove the first order-optimal regret guarantees under a general setting. Our results show a significant polynomial in the number of episodes improvement over the state of the art. In particular, with highly non-smooth kernels (such as Neural Tangent kernel or some Matérn kernels) the existing results lead to trivial (superlinear in the number of episodes) regret bounds. We show a sublinear regret bound that is order optimal in the cases where a lower bound on regret is known (which includes the kernels mentioned above).

We present a novel framework to overcome the limitations of equivariant architectures in learning functions with group symmetries. In contrary to equivariant architectures, we use an arbitrary base model such as an MLP or a transformer and symmetrize it to be equivariant to the given group by employing a small equivariant network that parameterizes the probabilistic distribution underlying the symmetrization. The distribution is end-to-end trained with the base model which can maximize performance while reducing sample complexity of symmetrization. We show that this approach ensures not only equivariance to given group but also universal approximation capability in expectation. We implement our method on various base models, including patch-based transformers that can be initialized from pretrained vision transformers, and test them for a wide range of symmetry groups including permutation and Euclidean groups and their combinations. Empirical tests show competitive results against tailored equivariant architectures, suggesting the potential for learning equivariant functions for diverse groups using a non-equivariant universal base architecture. We further show evidence of enhanced learning in symmetric modalities, like graphs, when pretrained from non-symmetric modalities, like vision. Code is available at https://github.com/jw9730/lps.

Federated learning (FL) typically faces data heterogeneity, i.e., distribution shifting among clients. Sharing clients' information has shown great potentiality in mitigating data heterogeneity, yet incurs a dilemma in preserving privacy and promoting model performance. To alleviate the dilemma, we raise a fundamental question: Is it possible to share partial features in the data to tackle data heterogeneity? In this work, we give an affirmative answer to this question by proposing a novel approach called **Fed**erated **Fe**ature **d**istillation (FedFed). Specifically, FedFed partitions data into performance-sensitive features (i.e., greatly contributing to model performance) and performance-robust features (i.e., limitedly contributing to model performance). The performance-sensitive features are globally shared to mitigate data heterogeneity, while the performance-robust features are kept locally. FedFed enables clients to train models over local and shared data. Comprehensive experiments demonstrate the efficacy of FedFed in promoting model performance.

Deep reinforcement learning (RL) is notoriously impractical to deploy due to sample inefficiency. Meta-RL directly addresses this sample inefficiency by learning to perform few-shot learning when a distribution of related tasks is available for meta-training. While many specialized meta-RL methods have been proposed, recent work suggests that end-to-end learning in conjunction with an off-the-shelf sequential model, such as a recurrent network, is a surprisingly strong baseline. However, such claims have been controversial due to limited supporting evidence, particularly in the face of prior work establishing precisely the opposite. In this paper, we conduct an empirical investigation. While we likewise find that a recurrent network can achieve strong performance, we demonstrate that the use of hypernetworks is crucial to maximizing their potential. Surprisingly, when combined with hypernetworks, the recurrent baselines that are far simpler than existing specialized methods actually achieve the strongest performance of all methods evaluated. We provide code at https://github.com/jacooba/hyper.

We introduce the Blackwell discount factor for Markov Decision Processes (MDPs). Classical objectives for MDPs include discounted, average, and Blackwell optimality. Many existing approaches to computing average-optimal policies solve for discount-optimal policies with a discount factor close to $1$, but they only work under strong or hard-to-verify assumptions on the MDP structure such as unichain or ergodicity. We are the first to highlight the shortcomings of the classical definition of Blackwell optimality, which does not lead to simple algorithms for computing Blackwell-optimal policies and overlooks the pathological behaviors of optimal policies as regards the discount factors. To resolve this issue, in this paper, we show that when the discount factor is larger than the Blackwell discount factor $\gamma_{\sf bw}$, all discount-optimal policies become Blackwell- and average-optimal, and we derive a general upper bound on $\gamma_{\sf bw}$. Our upper bound on $\gamma_{\sf bw}$, parametrized by the bit-size of the rewards and transition probabilities of the MDP instance, provides the first reduction from average and Blackwell optimality to discounted optimality, without any assumptions, along with new polynomial-time algorithms. Our work brings new ideas from polynomials and algebraic numbers to the analysis of MDPs. Our results also apply to robust MDPs, enabling the first algorithms to compute robust Blackwell-optimal policies.

We provide several new results on the sample complexity of vector-valued linear predictors (parameterized by a matrix), and more generally neural networks. Focusing on size-independent bounds, where only the Frobenius norm distance of the parameters from some fixed reference matrix $W_0$ is controlled, we show that the sample complexity behavior can be surprisingly different than what we may expect considering the well-studied setting of scalar-valued linear predictors. This also leads to new sample complexity bounds for feed-forward neural networks, tackling some open questions in the literature, and establishing a new convex linear prediction problem that is provably learnable without uniform convergence.

Existing deep learning models for hyperspectral image (HSI) reconstruction achieve good performance but require powerful hardwares with enormous memory and computational resources. Consequently, these methods can hardly be deployed on resource-limited mobile devices. In this paper, we propose a novel method, Binarized Spectral-Redistribution Network (BiSRNet), for efficient and practical HSI restoration from compressed measurement in snapshot compressive imaging (SCI) systems. Firstly, we redesign a compact and easy-to-deploy base model to be binarized. Then we present the basic unit, Binarized Spectral-Redistribution Convolution (BiSR-Conv). BiSR-Conv can adaptively redistribute the HSI representations before binarizing activation and uses a scalable hyperbolic tangent function to closer approximate the Sign function in backpropagation. Based on our BiSR-Conv, we customize four binarized convolutional modules to address the dimension mismatch and propagate full-precision information throughout the whole network. Finally, our BiSRNet is derived by using the proposed techniques to binarize the base model. Comprehensive quantitative and qualitative experiments manifest that our proposed BiSRNet outperforms state-of-the-art binarization algorithms. Code and models are publicly available at https://github.com/caiyuanhao1998/BiSCI

In visual-based Reinforcement Learning (RL), agents often struggle to generalize well to environmental variations in the state space that were not observed during training. The variations can arise in both task-irrelevant features, such as background noise, and task-relevant features, such as robot configurations, that are related to the optimal decisions. To achieve generalization in both situations, agents are required to accurately understand the impact of changed features on the decisions, i.e., establishing the true associations between changed features and decisions in the policy model. However, due to the inherent correlations among features in the state space, the associations between features and decisions become entangled, making it difficult for the policy to distinguish them. To this end, we propose Saliency-Guided Features Decorrelation (SGFD) to eliminate these correlations through sample reweighting. Concretely, SGFD consists of two core techniques: Random Fourier Functions (RFF) and the saliency map. RFF is utilized to estimate the complex non-linear correlations in high-dimensional images, while the saliency map is designed to identify the changed features. Under the guidance of the saliency map, SGFD employs sample reweighting to minimize the estimated correlations related to changed features, thereby achieving decorrelation in visual RL tasks. Our experimental results demonstrate that SGFD can generalize well on a wide range of test environments and significantly outperforms state-of-the-art methods in handling both task-irrelevant variations and task-relevant variations.

Text-to-video is a rapidly growing research area that aims to generate a semantic, identical, and temporal coherence sequence of frames that accurately align with the input text prompt. This study focuses on zero-shot text-to-video generation considering the data- and cost-efficient. To generate a semantic-coherent video, exhibiting a rich portrayal of temporal semantics such as the whole process of flower blooming rather than a set of ``moving images'', we propose a novel Free-Bloom pipeline that harnesses large language models (LLMs) as the director to generate a semantic-coherence prompt sequence, while pre-trained latent diffusion models (LDMs) as the animator to generate the high fidelity frames. Furthermore, to ensure temporal and identical coherence while maintaining semantic coherence, we propose a series of annotative modifications to adapting LDMs in the reverse process, including joint noise sampling, step-aware attention shift, and dual-path interpolation. Without any video data and training requirements, Free-Bloom generates vivid and high-quality videos, awe-inspiring in generating complex scenes with semantic meaningful frame sequences. In addition, Free-Bloom is naturally compatible with LDMs-based extensions.

Given $n$ observations from two balanced classes, consider the task of labeling an additional $m$ inputs that are known to all belong to \emph{one} of the two classes. Special cases of this problem are well-known: with complete knowledge of class distributions ($n=\infty$) the problem is solved optimally by the likelihood-ratio test; when $m=1$ it corresponds to binary classification; and when $m\approx n$ it is equivalent to two-sample testing. The intermediate settings occur in the field of likelihood-free inference, where labeled samples are obtained by running forward simulations and the unlabeled sample is collected experimentally. In recent work it was discovered that there is a fundamental trade-off between $m$ and $n$: increasing the data sample $m$ reduces the amount $n$ of training/simulation data needed. In this work we (a) introduce a generalization where unlabeled samples come from a mixture of the two classes -- a case often encountered in practice; (b) study the minimax sample complexity for non-parametric classes of densities under \textit{maximum mean discrepancy} (MMD) separation; and (c) investigate the empirical performance of kernels parameterized by neural networks on two tasks: detection of the Higgs boson and detection of planted DDPM generated images amidst CIFAR-10 images. For both problems we confirm the existence of the theoretically predicted asymmetric $m$ vs $n$ trade-off.