NeurIPS 2023 论文列表

We tackle the problems of latent variables identification and "out-of-support'' image generation in representation learning. We show that both are possible for a class of decoders that we call additive, which are reminiscent of decoders used for object-centric representation learning (OCRL) and well suited for images that can be decomposed as a sum of object-specific images. We provide conditions under which exactly solving the reconstruction problem using an additive decoder is guaranteed to identify the blocks of latent variables up to permutation and block-wise invertible transformations. This guarantee relies only on very weak assumptions about the distribution of the latent factors, which might present statistical dependencies and have an almost arbitrarily shaped support. Our result provides a new setting where nonlinear independent component analysis (ICA) is possible and adds to our theoretical understanding of OCRL methods. We also show theoretically that additive decoders can generate novel images by recombining observed factors of variations in novel ways, an ability we refer to as Cartesian-product extrapolation. We show empirically that additivity is crucial for both identifiability and extrapolation on simulated data.

In this work we revisit the most fundamental building block in deep learning, the multi-layer perceptron (MLP), and study the limits of its performance on vision tasks. Empirical insights into MLPs are important for multiple reasons. (1) Given the recent narrative "less inductive bias is better", popularized due to transformers eclipsing convolutional models, it is natural to explore the limits of this hypothesis. To that end, MLPs offer an ideal test bed, as they lack any vision-specific inductive bias. (2) MLPs have almost exclusively been the main protagonist in the deep learning theory literature due to their mathematical simplicity, serving as a proxy to explain empirical phenomena observed for more complex architectures. Surprisingly, experimental datapoints for MLPs are very difficult to find in the literature, especially when coupled with large pre-training protocols. This discrepancy between practice and theory is worrying: \textit{Do MLPs reflect the empirical advances exhibited by practical models?} Or do theorists need to rethink the role of MLPs as a proxy? We provide insights into both these aspects. We show that the performance of MLPs drastically improves with scale (95% on CIFAR10, 82% on CIFAR100, 58% on ImageNet ReaL), highlighting that lack of inductive bias can indeed be compensated. We observe that MLPs mimic the behaviour of their modern counterparts faithfully, with some components in the learning setting however exhibiting stronger or unexpected behaviours. Due to their inherent computational efficiency, large pre-training experiments become more accessible for academic researchers. All of our experiments were run on a single GPU.

Deep Equilibrium Models (DEQs) and Neural Ordinary Differential Equations (Neural ODEs) are two branches of implicit models that have achieved remarkable success owing to their superior performance and low memory consumption. While both are implicit models, DEQs and Neural ODEs are derived from different mathematical formulations. Inspired by homotopy continuation, we establish a connection between these two models and illustrate that they are actually two sides of the same coin. Homotopy continuation is a classical method of solving nonlinear equations based on a corresponding ODE. Given this connection, we proposed a new implicit model called HomoODE that inherits the property of high accuracy from DEQs and the property of stability from Neural ODEs. Unlike DEQs, which explicitly solve an equilibrium-point-finding problem via Newton's methods in the forward pass, HomoODE solves the equilibrium-point-finding problem implicitly using a modified Neural ODE via homotopy continuation. Further, we developed an acceleration method for HomoODE with a shared learnable initial point. It is worth noting that our model also provides a better understanding of why Augmented Neural ODEs work as long as the augmented part is regarded as the equilibrium point to find. Comprehensive experiments with several image classification tasks demonstrate that HomoODE surpasses existing implicit models in terms of both accuracy and memory consumption.

Learning binary classifiers from positive and unlabeled data (PUL) is vital in many real-world applications, especially when verifying negative examples is difficult. Despite the impressive empirical performance of recent PUL methods, challenges like accumulated errors and increased estimation bias persist due to the absence of negative labels. In this paper, we unveil an intriguing yet long-overlooked observation in PUL: \textit{resampling the positive data in each training iteration to ensure a balanced distribution between positive and unlabeled examples results in strong early-stage performance. Furthermore, predictive trends for positive and negative classes display distinctly different patterns.} Specifically, the scores (output probability) of unlabeled negative examples consistently decrease, while those of unlabeled positive examples show largely chaotic trends. Instead of focusing on classification within individual time frames, we innovatively adopt a holistic approach, interpreting the scores of each example as a temporal point process (TPP). This reformulates the core problem of PUL as recognizing trends in these scores. We then propose a novel TPP-inspired measure for trend detection and prove its asymptotic unbiasedness in predicting changes. Notably, our method accomplishes PUL without requiring additional parameter tuning or prior assumptions, offering an alternative perspective for tackling this problem. Extensive experiments verify the superiority of our method, particularly in a highly imbalanced real-world setting, where it achieves improvements of up to $11.3\%$ in key metrics.

Graph Neural Networks (GNNs) are often used for tasks involving the 3D geometry of a given graph, such as molecular dynamics simulation. While incorporating Euclidean distance into Message Passing Neural Networks (referred to as Vanilla DisGNN) is a straightforward way to learn the geometry, it has been demonstrated that Vanilla DisGNN is geometrically incomplete. In this work, we first construct families of novel and symmetric geometric graphs that Vanilla DisGNN cannot distinguish even when considering all-pair distances, which greatly expands the existing counterexample families. Our counterexamples show the inherent limitation of Vanilla DisGNN to capture symmetric geometric structures. We then propose $k$-DisGNNs, which can effectively exploit the rich geometry contained in the distance matrix. We demonstrate the high expressive power of $k$-DisGNNs from three perspectives: 1. They can learn high-order geometric information that cannot be captured by Vanilla DisGNN. 2. They can unify some existing well-designed geometric models. 3. They are universal function approximators from geometric graphs to scalars (when $k\geq 2$) and vectors (when $k\geq 3$). Most importantly, we establish a connection between geometric deep learning (GDL) and traditional graph representation learning (GRL), showing that those highly expressive GNN models originally designed for GRL can also be applied to GDL with impressive performance, and that existing complicated, equivariant models are not the only solution. Experiments verify our theory. Our $k$-DisGNNs achieve many new state-of-the-art results on MD17.

We explore the fundamental problem of sorting through the lens of learning-augmented algorithms, where algorithms can leverage possibly erroneous predictions to improve their efficiency. We consider two different settings: In the first setting, each item is provided a prediction of its position in the sorted list. In the second setting, we assume there is a ``quick-and-dirty'' way of comparing items, in addition to slow-and-exact comparisons. For both settings, we design new and simple algorithms using only $O(\sum_i \log \eta_i)$ exact comparisons, where $\eta_i$ is a suitably defined prediction error for the $i$th element. In particular, as the quality of predictions deteriorates, the number of comparisons degrades smoothly from $O(n)$ to $O(n\log n)$. We prove that this comparison complexity is theoretically optimal with respect to the examined error measures. An experimental evaluation against existing adaptive and non-adaptive sorting algorithms demonstrates the potential of applying learning-augmented algorithms in sorting tasks.

Practical tensor data is often along with time information. Most existing temporal decomposition approaches estimate a set of fixed factors for the objects in each tensor mode, and hence cannot capture the temporal evolution of the objects' representation. More important, we lack an effective approach to capture such evolution from streaming data, which is common in real-world applications. To address these issues, we propose Streaming Factor Trajectory Learning (SFTL) for temporal tensor decomposition. We use Gaussian processes (GPs) to model the trajectory of factors so as to flexibly estimate their temporal evolution. To address the computational challenges in handling streaming data, we convert the GPs into a state-space prior by constructing an equivalent stochastic differential equation (SDE). We develop an efficient online filtering algorithm to estimate a decoupled running posterior of the involved factor states upon receiving new data. The decoupled estimation enables us to conduct standard Rauch-Tung-Striebel smoothing to compute the full posterior of all the trajectories in parallel, without the need for revisiting any previous data. We have shown the advantage of SFTL in both synthetic tasks and real-world applications.

Contrastive learning has recently emerged as a promising approach for learning data representations that discover and disentangle the explanatory factors of the data. Previous analyses of such approaches have largely focused on individual contrastive losses, such as noise-contrastive estimation (NCE) and InfoNCE, and rely on specific assumptions about the data generating process. This paper extends the theoretical guarantees for disentanglement to a broader family of contrastive methods, while also relaxing the assumptions about the data distribution. Specifically, we prove identifiability of the true latents for four contrastive losses studied in this paper, without imposing common independence assumptions. The theoretical findings are validated on several benchmark datasets. Finally, practical limitations of these methods are also investigated.

Curiosity has established itself as a powerful exploration strategy in deep reinforcement learning. Notably, leveraging expected future novelty as intrinsic motivation has been shown to efficiently generate exploratory trajectories, as well as a robust dynamics model. We consider the challenge of extracting goal-conditioned behavior from the products of such unsupervised exploration techniques, without any additional environment interaction. We find that conventional goal-conditioned reinforcement learning approaches for extracting a value function and policy fall short in this difficult offline setting. By analyzing the geometry of optimal goal-conditioned value functions, we relate this issue to a specific class of estimation artifacts in learned values. In order to mitigate their occurrence, we propose to combine model-based planning over learned value landscapes with a graph-based value aggregation scheme. We show how this combination can correct both local and global artifacts, obtaining significant improvements in zero-shot goal-reaching performance across diverse simulated environments.

Weakly-Supervised Concealed Object Segmentation (WSCOS) aims to segment objects well blended with surrounding environments using sparsely-annotated data for model training. It remains a challenging task since (1) it is hard to distinguish concealed objects from the background due to the intrinsic similarity and (2) the sparsely-annotated training data only provide weak supervision for model learning. In this paper, we propose a new WSCOS method to address these two challenges. To tackle the intrinsic similarity challenge, we design a multi-scale feature grouping module that first groups features at different granularities and then aggregates these grouping results. By grouping similar features together, it encourages segmentation coherence, helping obtain complete segmentation results for both single and multiple-object images. For the weak supervision challenge, we utilize the recently-proposed vision foundation model, ``Segment Anything Model (SAM)'', and use the provided sparse annotations as prompts to generate segmentation masks, which are used to train the model. To alleviate the impact of low-quality segmentation masks, we further propose a series of strategies, including multi-augmentation result ensemble, entropy-based pixel-level weighting, and entropy-based image-level selection. These strategies help provide more reliable supervision to train the segmentation model. We verify the effectiveness of our method on various WSCOS tasks, and experiments demonstrate that our method achieves state-of-the-art performance on these tasks.

The rapid advancement and widespread use of large language models (LLMs) have raised significant concerns regarding the potential leakage of personally identifiable information (PII). These models are often trained on vast quantities of web-collected data, which may inadvertently include sensitive personal data. This paper presents ProPILE, a novel probing tool designed to empower data subjects, or the owners of the PII, with awareness of potential PII leakage in LLM-based services. ProPILE lets data subjects formulate prompts based on their own PII to evaluate the level of privacy intrusion in LLMs. We demonstrate its application on the OPT-1.3B model trained on the publicly available Pile dataset. We show how hypothetical data subjects may assess the likelihood of their PII being included in the Pile dataset being revealed. ProPILE can also be leveraged by LLM service providers to effectively evaluate their own levels of PII leakage with more powerful prompts specifically tuned for their in-house models. This tool represents a pioneering step towards empowering the data subjects for their awareness and control over their own data on the web.

The use of machine learning models in high-stake applications (e.g., healthcare, lending, college admission) has raised growing concerns due to potential biases against protected social groups. Various fairness notions and methods have been proposed to mitigate such biases. In this work, we focus on Counterfactual Fairness (CF), a fairness notion that is dependent on an underlying causal graph and first proposed by Kusner $\textit{et al.}$; it requires that the outcome an individual perceives is the same in the real world as it would be in a "counterfactual" world, in which the individual belongs to another social group. Learning fair models satisfying CF can be challenging. It was shown in (Kusner $\textit{et al.}$) that a sufficient condition for satisfying CF is to $\textbf{not}$ use features that are descendants of sensitive attributes in the causal graph. This implies a simple method that learns CF models only using non-descendants of sensitive attributes while eliminating all descendants. Although several subsequent works proposed methods that use all features for training CF models, there is no theoretical guarantee that they can satisfy CF. In contrast, this work proposes a new algorithm that trains models using all the available features. We theoretically and empirically show that models trained with this method can satisfy CF.

Previous work has shown that DNNs with large depth $L$ and $L_{2}$-regularization are biased towards learning low-dimensional representations of the inputs, which can be interpreted as minimizing a notion of rank $R^{(0)}(f)$ of the learned function $f$, conjectured to be the Bottleneck rank. We compute finite depth corrections to this result, revealing a measure $R^{(1)}$ of regularity which bounds the pseudo-determinant of the Jacobian $\left\|Jf(x)\right\|\_\+$ and is subadditive under composition and addition. This formalizes a balance between learning low-dimensional representations and minimizing complexity/irregularity in the feature maps, allowing the network to learn the `right' inner dimension. Finally, we prove the conjectured bottleneck structure in the learned features as $L\to\infty$: for large depths, almost all hidden representations are approximately $R^{(0)}(f)$-dimensional, and almost all weight matrices $W_{\ell}$ have $R^{(0)}(f)$ singular values close to 1 while the others are $O(L^{-\frac{1}{2}})$. Interestingly, the use of large learning rates is required to guarantee an order $O(L)$ NTK which in turns guarantees infinite depth convergence of the representations of almost all layers.

The ability to create high-quality 3D faces from a single image has become increasingly important with wide applications in video conferencing, AR/VR, and advanced video editing in movie industries. In this paper, we propose Face Diffusion NeRF (FaceDNeRF), a new generative method to reconstruct high-quality Face NeRFs from single images, complete with semantic editing and relighting capabilities. FaceDNeRF utilizes high-resolution 3D GAN inversion and expertly trained 2D latent-diffusion model, allowing users to manipulate and construct Face NeRFs in zero-shot learning without the need for explicit 3D data. With carefully designed illumination and identity preserving loss, as well as multi-modal pre-training, FaceDNeRF offers users unparalleled control over the editing process enabling them to create and edit face NeRFs using just single-view images, text prompts, and explicit target lighting. The advanced features of FaceDNeRF have been designed to produce more impressive results than existing 2D editing approaches that rely on 2D segmentation maps for editable attributes. Experiments show that our FaceDNeRF achieves exceptionally realistic results and unprecedented flexibility in editing compared with state-of-the-art 3D face reconstruction and editing methods. Our code will be available at https://github.com/BillyXYB/FaceDNeRF.

Gradual Domain Adaptation (GDA), in which the learner is provided with additional intermediate domains, has been theoretically and empirically studied in many contexts. Despite its vital role in security-critical scenarios, the adversarial robustness of the GDA model remains unexplored. In this paper, we adopt the effective gradual self-training method and replace vanilla self-training with adversarial self-training (AST). AST first predicts labels on the unlabeled data and then adversarially trains the model on the pseudo-labeled distribution. Intriguingly, we find that gradual AST improves not only adversarial accuracy but also clean accuracy on the target domain. We reveal that this is because adversarial training (AT) performs better than standard training when the pseudo-labels contain a portion of incorrect labels. Accordingly, we first present the generalization error bounds for gradual AST in a multiclass classification setting. We then use the optimal value of the Subset Sum Problem to bridge the standard error on a real distribution and the adversarial error on a pseudo-labeled distribution. The result indicates that AT may obtain a tighter bound than standard training on data with incorrect pseudo-labels. We further present an example of a conditional Gaussian distribution to provide more insights into why gradual AST can improve the clean accuracy for GDA.

Articulated object manipulation is a fundamental yet challenging task in robotics. Due to significant geometric and semantic variations across object categories, previous manipulation models struggle to generalize to novel categories. Few-shot learning is a promising solution for alleviating this issue by allowing robots to perform a few interactions with unseen objects. However, extant approaches often necessitate costly and inefficient test-time interactions with each unseen instance. Recognizing this limitation, we observe that despite their distinct shapes, different categories often share similar local geometries essential for manipulation, such as pullable handles and graspable edges - a factor typically underutilized in previous few-shot learning works. To harness this commonality, we introduce 'Where2Explore', an affordance learning framework that effectively explores novel categories with minimal interactions on a limited number of instances. Our framework explicitly estimates the geometric similarity across different categories, identifying local areas that differ from shapes in the training categories for efficient exploration while concurrently transferring affordance knowledge to similar parts of the objects. Extensive experiments in simulated and real-world environments demonstrate our framework's capacity for efficient few-shot exploration and generalization.

This paper outlines an end-to-end optimized lossy image compression framework using diffusion generative models. The approach relies on the transform coding paradigm, where an image is mapped into a latent space for entropy coding and, from there, mapped back to the data space for reconstruction. In contrast to VAE-based neural compression, where the (mean) decoder is a deterministic neural network, our decoder is a conditional diffusion model. Our approach thus introduces an additional "content" latent variable on which the reverse diffusion process is conditioned and uses this variable to store information about the image. The remaining ``texture'' variables characterizing the diffusion process are synthesized at decoding time. We show that the model's performance can be tuned toward perceptual metrics of interest. Our extensive experiments involving multiple datasets and image quality assessment metrics show that our approach yields stronger reported FID scores than the GAN-based model, while also yielding competitive performance with VAE-based models in several distortion metrics. Furthermore, training the diffusion with $\mathcal{X}$-parameterization enables high-quality reconstructions in only a handful of decoding steps, greatly affecting the model's practicality. Our code is available at: https://github.com/buggyyang/CDC_compression

Recent advances in large language models (LLMs) and the intensifying popularity of ChatGPT-like applications have blurred the boundary of high-quality text generation between humans and machines. However, in addition to the anticipated revolutionary changes to our technology and society, the difficulty of distinguishing LLM-generated texts (AI-text) from human-generated texts poses new challenges of misuse and fairness, such as fake content generation, plagiarism, and false accusations of innocent writers. While existing works show that current AI-text detectors are not robust to LLM-based paraphrasing, this paper aims to bridge this gap by proposing a new framework called RADAR, which jointly trains a $\underline{r}$obust $\underline{A}$I-text $\underline{d}$etector via $\underline{a}$dversarial lea$\underline{r}$ning. RADAR is based on adversarial training of a paraphraser and a detector. The paraphraser's goal is to generate realistic content to evade AI-text detection. RADAR uses the feedback from the detector to update the paraphraser, and vice versa. Evaluated with 8 different LLMs (Pythia, Dolly 2.0, Palmyra, Camel, GPT-J, Dolly 1.0, LLaMA, and Vicuna) across 4 datasets, experimental results show that RADAR significantly outperforms existing AI-text detection methods, especially when paraphrasing is in place. We also identify the strong transferability of RADAR from instruction-tuned LLMs to other LLMs, and evaluate the improved capability of RADAR via GPT-3.5-Turbo.

Temporal hypergraphs provide a powerful paradigm for modeling time-dependent, higher-order interactions in complex systems. Representation learning for hypergraphs is essential for extracting patterns of the higher-order interactions that are critically important in real-world problems in social network analysis, neuroscience, finance, etc. However, existing methods are typically designed only for specific tasks or static hypergraphs. We present CAT-Walk, an inductive method that learns the underlying dynamic laws that govern the temporal and structural processes underlying a temporal hypergraph. CAT-Walk introduces a temporal, higher-order walk on hypergraphs, SetWalk, that extracts higher-order causal patterns. CAT-Walk uses a novel adaptive and permutation invariant pooling strategy, SetMixer, along with a set-based anonymization process that hides the identity of hyperedges. Finally, we present a simple yet effective neural network model to encode hyperedges. Our evaluation on 10 hypergraph benchmark datasets shows that CAT-Walk attains outstanding performance on temporal hyperedge prediction benchmarks in both inductive and transductive settings. It also shows competitive performance with state-of-the-art methods for node classification. (https://github.com/ubc-systopia/CATWalk)