NeurIPS 2023 Papers

Standard diffusion models involve an image transform -- adding Gaussian noise -- and an image restoration operator that inverts this degradation. We observe that the generative behavior of diffusion models is not strongly dependent on the choice of image degradation, and in fact, an entire family of generative models can be constructed by varying this choice. Even when using completely deterministic degradations (e.g., blur, masking, and more), the training and test-time update rules that underlie diffusion models can be easily generalized to create generative models. The success of these fully deterministic models calls into question the community's understanding of diffusion models, which relies on noise in either gradient Langevin dynamics or variational inference and paves the way for generalized diffusion models that invert arbitrary processes.

We present DreamWaltz, a novel framework for generating and animating complex 3D avatars given text guidance and parametric human body prior. While recent methods have shown encouraging results for text-to-3D generation of common objects, creating high-quality and animatable 3D avatars remains challenging. To create high-quality 3D avatars, DreamWaltz proposes 3D-consistent occlusion-aware Score Distillation Sampling (SDS) to optimize implicit neural representations with canonical poses. It provides view-aligned supervision via 3D-aware skeleton conditioning which enables complex avatar generation without artifacts and multiple faces. For animation, our method learns an animatable 3D avatar representation from abundant image priors of diffusion model conditioned on various poses, which could animate complex non-rigged avatars given arbitrary poses without retraining. Extensive evaluations demonstrate that DreamWaltz is an effective and robust approach for creating 3D avatars that can take on complex shapes and appearances as well as novel poses for animation. The proposed framework further enables the creation of complex scenes with diverse compositions, including avatar-avatar, avatar-object and avatar-scene interactions. See https://dreamwaltz3d.github.io/ for more vivid 3D avatar and animation results.

We propose a novel methodology that systematically analyzes ordinary differential equation (ODE) models for first-order optimization methods by converting the task of proving convergence rates into verifying the positive semidefiniteness of specific Hilbert-Schmidt integral operators. Our approach is based on the performance estimation problems (PEP) introduced by Drori and Teboulle. Unlike previous works on PEP, which rely on finite-dimensional linear algebra, we use tools from functional analysis. Using the proposed method, we establish convergence rates of various accelerated gradient flow models, some of which are new. As an immediate consequence of our framework, we show a correspondence between minimizing function values and minimizing gradient norms.

This paper studies two fundamental problems in regularized Graphon Mean-Field Games (GMFGs). First, we establish the existence of a Nash Equilibrium (NE) of any $\lambda$-regularized GMFG (for $\lambda\geq 0$). This result relies on weaker conditions than previous works analyzing both unregularized GMFGs ($\lambda=0$) and $\lambda$-regularized MFGs, which are special cases of GMFGs. Second, we propose provably efficient algorithms to learn the NE in weakly monotone GMFGs, motivated by Lasry and Lions (2007). Previous literature either only analyzed continuous-time algorithms or required extra conditions to analyze discrete-time algorithms. In contrast, we design a discrete-time algorithm and derive its convergence rate solely under weakly monotone conditions. Furthermore, we develop and analyze the action-value function estimation procedure during the online learning process, which is absent from algorithms for monotone GMFGs. This serves as a sub-module in our optimization algorithm. The efficiency of the designed algorithm is corroborated by empirical evaluations.

Deep learning methods have achieved state-of-the-art performance in most modeling tasks involving images, text and audio, however, they typically underperform tree-based methods on tabular data. In this paper, we hypothesize that a significant contributor to this performance gap is the interaction between irregular target functions resulting from the heterogeneous nature of tabular feature spaces, and the well-known tendency of neural networks to learn smooth functions. Utilizing tools from spectral analysis, we show that functions described by tabular datasets often have high irregularity, and that they can be smoothed by transformations such as scaling and ranking in order to improve performance. However, because these transformations tend to lose information or negatively impact the loss landscape during optimization, they need to be rigorously fine-tuned for each feature to achieve performance gains. To address these problems, we propose introducing frequency reduction as an inductive bias. We realize this bias as a neural network layer that promotes learning low-frequency representations of the input features, allowing the network to operate in a space where the target function is more regular. Our proposed method introduces less computational complexity than a fully connected layer, while significantly improving neural network performance, and speeding up its convergence on 14 tabular datasets.

Detecting out-of-distribution (OOD) examples is crucial to guarantee the reliability and safety of deep neural networks in real-world settings. In this paper, we offer an innovative perspective on quantifying the disparities between in-distribution (ID) and OOD data---analyzing the uncertainty that arises when models attempt to explain their predictive decisions. This perspective is motivated by our observation that gradient-based attribution methods encounter challenges in assigning feature importance to OOD data, thereby yielding divergent explanation patterns. Consequently, we investigate how attribution gradients lead to uncertain explanation outcomes and introduce two forms of abnormalities for OOD detection: the zero-deflation abnormality and the channel-wise average abnormality. We then propose GAIA, a simple and effective approach that incorporates Gradient Abnormality Inspection and Aggregation. The effectiveness of GAIA is validated on both commonly utilized (CIFAR) and large-scale (ImageNet-1k) benchmarks. Specifically, GAIA reduces the average FPR95 by 23.10% on CIFAR10 and by 45.41% on CIFAR100 compared to advanced post-hoc methods.

The rapid scaling of language models is motivating research using low-bitwidth quantization. In this work, we propose a novel binarization technique for Transformers applied to machine translation (BMT), the first of its kind. We identify and address the problem of inflated dot-product variance when using one-bit weights and activations. Specifically, BMT leverages additional LayerNorms and residual connections to improve binarization quality. Experiments on the WMT dataset show that a one-bit weight-only Transformer can achieve the same quality as a float one, while being 16$\times$ smaller in size. One-bit activations incur varying degrees of quality drop, but mitigated by the proposed architectural changes. We further conduct a scaling law study using production-scale translation datasets, which shows that one-bit weight Transformers scale and generalize well in both in-domain and out-of-domain settings. Implementation in JAX/Flax will be open sourced.

Bilevel optimization has become a powerful tool in a wide variety of machine learning problems. However, the current nonconvex bilevel optimization considers an offline dataset and static functions, which may not work well in emerging online applications with streaming data and time-varying functions. In this work, we study online bilevel optimization (OBO) where the functions can be time-varying and the agent continuously updates the decisions with online streaming data. To deal with the function variations and the unavailability of the true hypergradients in OBO, we propose a single-loop online bilevel optimizer with window averaging (SOBOW), which updates the outer-level decision based on a window average of the most recent hypergradient estimations stored in the memory. Compared to existing algorithms, SOBOW is computationally efficient and does not need to know previous functions. To handle the unique technical difficulties rooted in single-loop update and function variations for OBO, we develop a novel analytical technique that disentangles the complex couplings between decision variables, and carefully controls the hypergradient estimation error. We show that SOBOW can achieve a sublinear bilevel local regret under mild conditions. Extensive experiments across multiple domains corroborate the effectiveness of SOBOW.

Recently, numerous studies have demonstrated the effectiveness of contrastive learning (CL), which learns feature representations by pulling in positive samples while pushing away negative samples. Many successes of CL lie in that there exists semantic consistency between data augmentations of the same instance. In multi-view scenarios, however, CL might cause representation degeneration when the collected multiple views inherently have inconsistent semantic information or their representations subsequently do not capture sufficient discriminative information. To address this issue, we propose a novel framework called SEM: SElf-weighted Multi-view contrastive learning with reconstruction regularization. Specifically, SEM is a general framework where we propose to first measure the discrepancy between pairwise representations and then minimize the corresponding self-weighted contrastive loss, and thus making SEM adaptively strengthen the useful pairwise views and also weaken the unreliable pairwise views. Meanwhile, we impose a self-supervised reconstruction term to regularize the hidden features of encoders, to assist CL in accessing sufficient discriminative information of data. Experiments on public multi-view datasets verified that SEM can mitigate representation degeneration in existing CL methods and help them achieve significant performance improvements. Ablation studies also demonstrated the effectiveness of SEM with different options of weighting strategies and reconstruction terms.

Interacting particle systems have proven highly successful in various machine learning tasks, including approximate Bayesian inference and neural network optimization. However, the analysis of these systems often relies on the simplifying assumption of the \emph{mean-field} limit, where particle numbers approach infinity and infinitesimal step sizes are used. In practice, discrete time steps, finite particle numbers, and complex integration schemes are employed, creating a theoretical gap between continuous-time and discrete-time processes. In this paper, we present a novel framework that establishes a precise connection between these discrete-time schemes and their corresponding mean-field limits in terms of convergence properties and asymptotic behavior. By adopting a dynamical system perspective, our framework seamlessly integrates various numerical schemes that are typically analyzed independently. For example, our framework provides a unified treatment of optimizing an infinite-width two-layer neural network and sampling via Stein Variational Gradient descent, which were previously studied in isolation.

Intrigued by the claims of emergent reasoning capabilities in LLMs trained on general web corpora, in this paper, we set out to investigate their planning capabilities. We aim to evaluate (1) the effectiveness of LLMs in generating plans autonomously in commonsense planning tasks and (2) the potential of LLMs as a source of heuristic guidance for other agents (AI planners) in their planning tasks. We conduct a systematic study by generating a suite of instances on domains similar to the ones employed in the International Planning Competition and evaluate LLMs in two distinct modes: autonomous and heuristic. Our findings reveal that LLMs’ ability to generate executable plans autonomously is rather limited, with the best model (GPT-4) having an average success rate of ~12% across the domains. However, the results in the heuristic mode show more promise. In the heuristic mode, we demonstrate that LLM-generated plans can improve the search process for underlying sound planners and additionally show that external verifiers can help provide feedback on the generated plans and back-prompt the LLM for better plan generation.

EXplainable AI (XAI) is an essential topic to improve human understanding of deep neural networks (DNNs) given their black-box internals. For computer vision tasks, mainstream pixel-based XAI methods explain DNN decisions by identifying important pixels, and emerging concept-based XAI explore forming explanations with concepts (e.g., a head in an image). However, pixels are generally hard to interpret and sensitive to the imprecision of XAI methods, whereas “concepts” in prior works require human annotation or are limited to pre-defined concept sets. On the other hand, driven by large-scale pre-training, Segment Anything Model (SAM) has been demonstrated as a powerful and promotable framework for performing precise and comprehensive instance segmentation, enabling automatic preparation of concept sets from a given image. This paper for the first time explores using SAM to augment concept-based XAI. We offer an effective and flexible concept-based explanation method, namely Explain Any Concept (EAC), which explains DNN decisions with any concept. While SAM is highly effective and offers an “out-of-the-box” instance segmentation, it is costly when being integrated into defacto XAI pipelines. We thus propose a lightweight per-input equivalent (PIE) scheme, enabling efficient explanation with a surrogate model. Our evaluation over two popular datasets (ImageNet and COCO) illustrate the highly encouraging performance of EAC over commonly-used XAI methods.

We consider the problem of variational Bayesian inference in a latent variable model where a (possibly complex) observed stochastic process is governed by the unobserved solution of a latent stochastic differential equation (SDE). Motivated by the challenges that arise when trying to learn a latent SDE in $\mathbb{R}^n$ from large-scale data, such as efficient gradient computation, we take a step back and study a specific subclass instead. In our case, the SDE evolves inside a homogeneous latent space and is induced by stochastic dynamics of the corresponding (matrix) Lie group. In the context of learning problems, SDEs on the $n$-dimensional unit sphere are arguably the most relevant incarnation of this setup. For variational inference, the sphere not only facilitates using a uniform prior on the initial state of the SDE, but we also obtain a particularly simple and intuitive expression for the KL divergence between the approximate posterior and prior process in the evidence lower bound. We provide empirical evidence that a latent SDE of the proposed type can be learned efficiently by means of an existing one-step geometric Euler-Maruyama scheme. Despite restricting ourselves to a less diverse class of SDEs, we achieve competitive or even state-of-the-art performance on a collection of time series interpolation and classification benchmarks.

The adversarial vulnerability of deep neural networks (DNNs) has drawn great attention due to the security risk of applying these models in real-world applications. Based on transferability of adversarial examples, an increasing number of transfer-based methods have been developed to fool black-box DNN models whose architecture and parameters are inaccessible. Although tremendous effort has been exerted, there still lacks a standardized benchmark that could be taken advantage of to compare these methods systematically, fairly, and practically. Our investigation shows that the evaluation of some methods needs to be more reasonable and more thorough to verify their effectiveness, to avoid, for example, unfair comparison and insufficient consideration of possible substitute/victim models. Therefore, we establish a transfer-based attack benchmark (TA-Bench) which implements 30+ methods. In this paper, we evaluate and compare them comprehensively on 10 popular substitute/victim models on ImageNet. New insights about the effectiveness of these methods are gained and guidelines for future evaluations are provided.

One of the most impactful findings in computational neuroscience over the past decade is that the object recognition accuracy of deep neural networks (DNNs) correlates with their ability to predict neural responses to natural images in the inferotemporal (IT) cortex. This discovery supported the long-held theory that object recognition is a core objective of the visual cortex, and suggested that more accurate DNNs would serve as better models of IT neuron responses to images. Since then, deep learning has undergone a revolution of scale: billion parameter-scale DNNs trained on billions of images are rivaling or outperforming humans at visual tasks including object recognition. Have today's DNNs become more accurate at predicting IT neuron responses to images as they have grown more accurate at object recognition? Surprisingly, across three independent experiments, we find that this is not the case. DNNs have become progressively worse models of IT as their accuracy has increased on ImageNet. To understand why DNNs experience this trade-off and evaluate if they are still an appropriate paradigm for modeling the visual system, we turn to recordings of IT that capture spatially resolved maps of neuronal activity elicited by natural images. These neuronal activity maps reveal that DNNs trained on ImageNet learn to rely on different visual features than those encoded by IT and that this problem worsens as their accuracy increases. We successfully resolved this issue with the neural harmonizer, a plug-and-play training routine for DNNs that aligns their learned representations with humans. Our results suggest that harmonized DNNs break the trade-off between ImageNet accuracy and neural prediction accuracy that assails current DNNs and offer a path to more accurate models of biological vision. Our work indicates that the standard approach for modeling IT with task-optimized DNNs needs revision, and other biological constraints, including human psychophysics data, are needed to accurately reverse-engineer the visual cortex.

Drawbacks of ignoring the causal mechanisms when performing imitation learning have recently been acknowledged. Several approaches both to assess the feasibility of imitation and to circumvent causal confounding and causal misspecifications have been proposed in the literature. However, the potential benefits of the incorporation of additional information about the underlying causal structure are left unexplored. An example of such overlooked information is context-specific independence (CSI), i.e., independence that holds only in certain contexts. We consider the problem of causal imitation learning when CSI relations are known. We prove that the decision problem pertaining to the feasibility of imitation in this setting is NP-hard. Further, we provide a necessary graphical criterion for imitation learning under CSI and show that under a structural assumption, this criterion is also sufficient. Finally, we propose a sound algorithmic approach for causal imitation learning which takes both CSI relations and data into account.

We provide theoretical bounds on the forgetting quantity in the continual learning setting for linear tasks, where each round of learning corresponds to projecting onto a linear subspace. For a cyclic task ordering on $T$ tasks repeated $m$ times each, we prove the best known upper bound of $O(T^2/m)$ on the forgetting. Notably, our bound holds uniformly over all choices of tasks and is independent of the ambient dimension. Our main technical contribution is a characterization of the union of all numerical ranges of products of $T$ (real or complex) projections as a sinusoidal spiral, which may be of independent interest.

Many real-world domains require safe decision making in uncertain environments. In this work, we introduce a deep reinforcement learning framework for approaching this important problem. We consider a distribution over transition models, and apply a risk-averse perspective towards model uncertainty through the use of coherent distortion risk measures. We provide robustness guarantees for this framework by showing it is equivalent to a specific class of distributionally robust safe reinforcement learning problems. Unlike existing approaches to robustness in deep reinforcement learning, however, our formulation does not involve minimax optimization. This leads to an efficient, model-free implementation of our approach that only requires standard data collection from a single training environment. In experiments on continuous control tasks with safety constraints, we demonstrate that our framework produces robust performance and safety at deployment time across a range of perturbed test environments.

AI alignment refers to models acting towards human-intended goals, preferences, or ethical principles. Analyzing the similarity between models and humans can be a proxy measure for ensuring AI safety. In this paper, we focus on the models' visual perception alignment with humans, further referred to as AI-human visual alignment. Specifically, we propose a new dataset for measuring AI-human visual alignment in terms of image classification. In order to evaluate AI-human visual alignment, a dataset should encompass samples with various scenarios and have gold human perception labels. Our dataset consists of three groups of samples, namely Must-Act (i.e., Must-Classify), Must-Abstain, and Uncertain, based on the quantity and clarity of visual information in an image and further divided into eight categories. All samples have a gold human perception label; even Uncertain (e.g., severely blurry) sample labels were obtained via crowd-sourcing. The validity of our dataset is verified by sampling theory, statistical theories related to survey design, and experts in the related fields. Using our dataset, we analyze the visual alignment and reliability of five popular visual perception models and seven abstention methods. Our code and data is available at https://github.com/jiyounglee-0523/VisAlign.