NeurIPS 2023 Papers

Automated creation of synthetic traffic scenarios is a key part of scaling the safety validation of autonomous vehicles (AVs). In this paper, we propose Scenario Diffusion, a novel diffusion-based architecture for generating traffic scenarios that enables controllable scenario generation. We combine latent diffusion, object detection and trajectory regression to generate distributions of synthetic agent poses, orientations and trajectories simultaneously. This distribution is conditioned on the map and sets of tokens describing the desired scenario to provide additional control over the generated scenario. We show that our approach has sufficient expressive capacity to model diverse traffic patterns and generalizes to different geographical regions.

Neural ordinary differential equations (neural ODEs) are a popular family of continuous-depth deep learning models. In this work, we consider a large family of parameterized ODEs with continuous-in-time parameters, which include time-dependent neural ODEs. We derive a generalization bound for this class by a Lipschitz-based argument. By leveraging the analogy between neural ODEs and deep residual networks, our approach yields in particular a generalization bound for a class of deep residual networks. The bound involves the magnitude of the difference between successive weight matrices. We illustrate numerically how this quantity affects the generalization capability of neural networks.

A promising technique for exploration is to maximize the entropy of visited state distribution, i.e., state entropy, by encouraging uniform coverage of visited state space. While it has been effective for an unsupervised setup, it tends to struggle in a supervised setup with a task reward, where an agent prefers to visit high-value states to exploit the task reward. Such a preference can cause an imbalance between the distributions of high-value states and low-value states, which biases exploration towards low-value state regions as a result of the state entropy increasing when the distribution becomes more uniform. This issue is exacerbated when high-value states are narrowly distributed within the state space, making it difficult for the agent to complete the tasks. In this paper, we present a novel exploration technique that maximizes the value-conditional state entropy, which separately estimates the state entropies that are conditioned on the value estimates of each state, then maximizes their average. By only considering the visited states with similar value estimates for computing the intrinsic bonus, our method prevents the distribution of low-value states from affecting exploration around high-value states, and vice versa. We demonstrate that the proposed alternative to the state entropy baseline significantly accelerates various reinforcement learning algorithms across a variety of tasks within MiniGrid, DeepMind Control Suite, and Meta-World benchmarks. Source code is available at https://sites.google.com/view/rl-vcse.

One of the major open problems in machine learning is to characterize generalization in the overparameterized regime, where most traditional generalization bounds become inconsistent even for overparameterized linear regression. In many scenarios, this failure can be attributed to obscuring the crucial interplay between the training algorithm and the underlying data distribution. This paper demonstrate that the generalization behavior of overparameterized model should be analyzed in a both data-relevant and algorithm-relevant manner. To make a formal characterization, We introduce a notion called data-algorithm compatibility, which considers the generalization behavior of the entire data-dependent training trajectory, instead of traditional last-iterate analysis. We validate our claim by studying the setting of solving overparameterized linear regression with gradient descent. Specifically, we perform a data-dependent trajectory analysis and derive a sufficient condition for compatibility in such a setting. Our theoretical results demonstrate that if we take early stopping iterates into consideration, generalization can hold with significantly weaker restrictions on the problem instance than the previous last-iterate analysis.

We present a method that reconstructs and animates a 3D head avatar from a single-view portrait image. Existing methods either involve time-consuming optimization for a specific person with multiple images, or they struggle to synthesize intricate appearance details beyond the facial region. To address these limitations, we propose a framework that not only generalizes to unseen identities based on a single-view image without requiring person-specific optimization, but also captures characteristic details within and beyond the face area (e.g. hairstyle, accessories, etc.). At the core of our method are three branches that produce three tri-planes representing the coarse 3D geometry, detailed appearance of a source image, as well as the expression of a target image. By applying volumetric rendering to the combination of the three tri-planes followed by a super-resolution module, our method yields a high fidelity image of the desired identity, expression and pose. Once trained, our model enables efficient 3D head avatar reconstruction and animation via a single forward pass through a network. Experiments show that the proposed approach generalizes well to unseen validation datasets, surpassing SOTA baseline methods by a large margin on head avatar reconstruction and animation.

The ability of graph neural networks (GNNs) to count certain graph substructures, especially cycles, is important for the success of GNNs on a wide range of tasks. It has been recently used as a popular metric for evaluating the expressive power of GNNs. Many of the proposed GNN models with provable cycle counting power are based on subgraph GNNs, i.e., extracting a bag of subgraphs from the input graph, generating representations for each subgraph, and using them to augment the representation of the input graph. However, those methods require heavy preprocessing, and suffer from high time and memory costs. In this paper, we overcome the aforementioned limitations of subgraph GNNs by proposing a novel class of GNNs---$d$-Distance-Restricted FWL(2) GNNs, or $d$-DRFWL(2) GNNs, based on the well-known FWL(2) algorithm. As a heuristic method for graph isomorphism testing, FWL(2) colors all node pairs in a graph and performs message passing among those node pairs. In order to balance the expressive power and complexity, $d$-DRFWL(2) GNNs simplify FWL(2) by restricting the range of message passing to node pairs whose mutual distances are at most $d$. This way, $d$-DRFWL(2) GNNs exploit graph sparsity while avoiding the expensive subgraph extraction operations in subgraph GNNs, making both the time and space complexity lower. We theoretically investigate both the discriminative power and the cycle counting power of $d$-DRFWL(2) GNNs. Our most important finding is that $d$-DRFWL(2) GNNs have provably strong cycle counting power even with $d=2$: they can count all 3, 4, 5, 6-cycles. Since 6-cycles (e.g., benzene rings) are ubiquitous in organic molecules, being able to detect and count them is crucial for achieving robust and generalizable performance on molecular tasks. Experiments on both synthetic datasets and molecular datasets verify our theory. To the best of our knowledge, 2-DRFWL(2) GNN is the most efficient GNN model to date (both theoretically and empirically) that can count up to 6-cycles.

With growing concerns regarding privacy in machine learning models, regulations have committed to granting individuals the right to be forgotten while mandating companies to develop non-discriminatory machine learning systems, thereby fueling the study of the machine unlearning problem. Our attention is directed toward a practical unlearning scenario, i.e., recommendation unlearning. As the state-of-the-art framework, i.e., RecEraser, naturally achieves full unlearning completeness, our objective is to enhance it in terms of model utility and unlearning efficiency. In this paper, we rethink RecEraser from an ensemble-based perspective and focus on its three potential losses, i.e., redundancy, relevance, and combination. Under the theoretical guidance of the above three losses, we propose a new framework named UltraRE, which simplifies and powers RecEraser for recommendation tasks. Specifically, for redundancy loss, we incorporate transport weights in the clustering algorithm to optimize the equilibrium between collaboration and balance while enhancing efficiency; for relevance loss, we ensure that sub-models reach convergence on their respective group data; for combination loss, we simplify the combination estimator without compromising its efficacy. Extensive experiments on three real-world datasets demonstrate the effectiveness of UltraRE.

Unsupervised multi-object segmentation has shown impressive results on images by utilizing powerful semantics learned from self-supervised pretraining. An additional modality such as depth or motion is often used to facilitate the segmentation in video sequences. However, the performance improvements observed in synthetic sequences, which rely on the robustness of an additional cue, do not translate to more challenging real-world scenarios. In this paper, we propose the first fully unsupervised method for segmenting multiple objects in real-world sequences. Our object-centric learning framework spatially binds objects to slots on each frame and then relates these slots across frames. From these temporally-aware slots, the training objective is to reconstruct the middle frame in a high-level semantic feature space. We propose a masking strategy by dropping a significant portion of tokens in the feature space for efficiency and regularization. Additionally, we address over-clustering by merging slots based on similarity. Our method can successfully segment multiple instances of complex and high-variety classes in YouTube videos.

Explicit finite-sample statistical guarantees on model performance are an important ingredient in responsible machine learning. Previous work has focused mainly on bounding either the expected loss of a predictor or the probability that an individual prediction will incur a loss value in a specified range. However, for many high-stakes applications it is crucial to understand and control the \textit{dispersion} of a loss distribution, or the extent to which different members of a population experience unequal effects of algorithmic decisions. We initiate the study of distribution-free control of statistical dispersion measures with societal implications and propose a simple yet flexible framework that allows us to handle a much richer class of statistical functionals beyond previous work. Our methods are verified through experiments in toxic comment detection, medical imaging, and film recommendation.

Dynamically grouping sensory information into structured entities is essential for understanding the world of combinatorial nature. However, the grouping ability and therefore combinatorial generalization are still challenging artificial neural networks. Inspired by the evidence that successful grouping is indicated by neuronal coherence in the human brain, we introduce GUST (Grouping Unsupervisely by Spike Timing network), an iterative network architecture with biological constraints to bias the network towards a dynamical state of neuronal coherence that softly reflects the grouping information in the temporal structure of its spiking activity. We evaluate and analyze the model on synthetic datasets. Interestingly, the segregation ability is directly learned from superimposed stimuli with a succinct unsupervised objective. Two learning stages are present, from coarsely perceiving global features to additionally capturing local features. Further, the learned symbol-like building blocks can be systematically composed to represent novel scenes in a bio-plausible manner.

Chaotic systems make long-horizon forecasts difficult because small perturbations in initial conditions cause trajectories to diverge at an exponential rate. In this setting, neural operators trained to minimize squared error losses, while capable of accurate short-term forecasts, often fail to reproduce statistical or structural properties of the dynamics over longer time horizons and can yield degenerate results. In this paper, we propose an alternative framework designed to preserve invariant measures of chaotic attractors that characterize the time-invariant statistical properties of the dynamics. Specifically, in the multi-environment setting (where each sample trajectory is governed by slightly different dynamics), we consider two novel approaches to training with noisy data. First, we propose a loss based on the optimal transport distance between the observed dynamics and the neural operator outputs. This approach requires expert knowledge of the underlying physics to determine what statistical features should be included in the optimal transport loss. Second, we show that a contrastive learning framework, which does not require any specialized prior knowledge, can preserve statistical properties of the dynamics nearly as well as the optimal transport approach. On a variety of chaotic systems, our method is shown empirically to preserve invariant measures of chaotic attractors.

Training on large-scale datasets can boost the performance of video instance segmentation while the annotated datasets for VIS are hard to scale up due to the high labor cost. What we possess are numerous isolated filed-specific datasets, thus, it is appealing to jointly train models across the aggregation of datasets to enhance data volume and diversity. However, due to the heterogeneity in category space, as mask precision increase with the data volume, simply utilizing multiple datasets will dilute the attention of models on different taxonomy. Thus, increasing the data scale and enriching taxonomy space while improving classification precision is important. In this work, we analyze that providing extra taxonomy information can help models concentrate on specific taxonomy, and propose our model named Taxonomy-aware Multi-dataset Joint Training for Video Instance Segmentation (TMT-VIS) to address this vital challenge. Specifically, we design a two-stage taxonomy aggregation module that first compiles taxonomy information from input videos and then aggregates these taxonomy priors into instance queries before the transformer decoder. We conduct extensive experimental evaluations on four popular and challenging benchmarks, including YouTube-VIS 2019, YouTube-VIS 2021, OVIS, and UVO. Our model shows significant improvement over the baseline solutions, and sets new state-of-the-art records on all these benchmarks. These appealing and encouraging results demonstrate the effectiveness and generality of our proposed approach. The code and trained models will be publicly available.

We introduce the task of open-vocabulary 3D instance segmentation. Current approaches for 3D instance segmentation can typically only recognize object categories from a pre-defined closed set of classes that are annotated in the training datasets. This results in important limitations for real-world applications where one might need to perform tasks guided by novel, open-vocabulary queries related to a wide variety of objects. Recently, open-vocabulary 3D scene understanding methods have emerged to address this problem by learning queryable features for each point in the scene. While such a representation can be directly employed to perform semantic segmentation, existing methods cannot separate multiple object instances. In this work, we address this limitation, and propose OpenMask3D, which is a zero-shot approach for open-vocabulary 3D instance segmentation. Guided by predicted class-agnostic 3D instance masks, our model aggregates per-mask features via multi-view fusion of CLIP-based image embeddings. Experiments and ablation studies on ScanNet200 and Replica show that OpenMask3D outperforms other open-vocabulary methods, especially on the long-tail distribution. Qualitative experiments further showcase OpenMask3D’s ability to segment object properties based on free-form queries describing geometry, affordances, and materials.

Rapidly increasing quality of AI-generated content makes it difficult to distinguish between human and AI-generated texts, which may lead to undesirable consequences for society. Therefore, it becomes increasingly important to study the properties of human texts that are invariant over text domains and various proficiency of human writers, can be easily calculated for any language, and can robustly separate natural and AI-generated texts regardless of the generation model and sampling method. In this work, we propose such an invariant of human texts, namely the intrinsic dimensionality of the manifold underlying the set of embeddings of a given text sample. We show that the average intrinsic dimensionality of fluent texts in natural language is hovering around the value $9$ for several alphabet-based languages and around $7$ for Chinese, while the average intrinsic dimensionality of AI-generated texts for each language is $\approx 1.5$ lower, with a clear statistical separation between human-generated and AI-generated distributions. This property allows us to build a score-based artificial text detector. The proposed detector's accuracy is stable over text domains, generator models, and human writer proficiency levels, outperforming SOTA detectors in model-agnostic and cross-domain scenarios by a significant margin.

Individual preference (IP) stability, introduced by Ahmadi et al. (ICML 2022), is a natural clustering objective inspired by stability and fairness constraints. A clustering is $\alpha$-IP stable if the average distance of every data point to its own cluster is at most $\alpha$ times the average distance to any other cluster. Unfortunately, determining if a dataset admits a $1$-IP stable clustering is NP-Hard. Moreover, before this work, it was unknown if an $o(n)$-IP stable clustering always exists, as the prior state of the art only guaranteed an $O(n)$-IP stable clustering. We close this gap in understanding and show that an $O(1)$-IP stable clustering always exists for general metrics, and we give an efficient algorithm which outputs such a clustering. We also introduce generalizations of IP stability beyond average distance and give efficient near optimal algorithms in the cases where we consider the maximum and minimum distances within and between clusters.

Knowledge distillation (KD) has proven to be a highly effective approach for enhancing model performance through a teacher-student training scheme. However, most existing distillation methods are designed under the assumption that the teacher and student models belong to the same model family, particularly the hint-based approaches. By using centered kernel alignment (CKA) to compare the learned features between heterogeneous teacher and student models, we observe significant feature divergence. This divergence illustrates the ineffectiveness of previous hint-based methods in cross-architecture distillation. To tackle the challenge in distilling heterogeneous models, we propose a simple yet effective one-for-all KD framework called OFA-KD, which significantly improves the distillation performance between heterogeneous architectures. Specifically, we project intermediate features into an aligned latent space such as the logits space, where architecture-specific information is discarded. Additionally, we introduce an adaptive target enhancement scheme to prevent the student from being disturbed by irrelevant information. Extensive experiments with various architectures, including CNN, Transformer, and MLP, demonstrate the superiority of our OFA-KD framework in enabling distillation between heterogeneous architectures. Specifically, when equipped with our OFA-KD, the student models achieve notable performance improvements, with a maximum gain of 8.0% on the CIFAR-100 dataset and 0.7% on the ImageNet-1K dataset. PyTorch code and checkpoints can be found at https://github.com/Hao840/OFAKD.

Current self-supervised learning (SSL) methods (e.g., SimCLR, DINO, VICReg, MOCOv3) target primarily on representations at instance level and do not generalize well to dense prediction tasks, such as object detection and segmentation. Towards aligning SSL with dense predictions, this paper demonstrates for the first time the underlying mean-shift clustering process of Vision Transformers (ViT), which aligns well with natural image semantics (e.g., a world of objects and stuffs). By employing transformer for joint embedding and clustering, we propose a bi-level feature clustering SSL method, coined Feature-Level Self-supervised Learning (FLSL). We present the formal definition of the FLSL problem and construct the objectives from the mean-shift and k-means perspectives. We show that FLSL promotes remarkable semantic cluster representations and learns an embedding scheme amenable to intra-view and inter-view feature clustering. Experiments show that FLSL yields significant improvements in dense prediction tasks, achieving 44.9 (+2.8)% AP and 46.5% AP in object detection, as well as 40.8 (+2.3)% AP and 42.1% AP in instance segmentation on MS-COCO, using Mask R-CNN with ViT-S/16 and ViT-S/8 as backbone, respectively. FLSL consistently outperforms existing SSL methods across additional benchmarks, including UAV object detection on UAVDT, and video instance segmentation on DAVIS 2017. We conclude by presenting visualization and various ablation studies to better understand the success of FLSL. The source code is available at https://github.com/ISL-CV/FLSL.

To solve the spatial problems of mapping, localization and navigation, the mammalian lineage has developed striking spatial representations. One important spatial representation is the Nobel-prize winning grid cells: neurons that represent self-location, a local and aperiodic quantity, with seemingly bizarre non-local and spatially periodic activity patterns of a few discrete periods. Why has the mammalian lineage learnt this peculiar grid representation? Mathematical analysis suggests that this multi-periodic representation has excellent properties as an algebraic code with high capacity and intrinsic error-correction, but to date, synthesis of multi-modular grid cells in deep recurrent neural networks remains absent. In this work, we begin by identifying key insights from four families of approaches to answering the grid cell question: dynamical systems, coding theory, function optimization and supervised deep learning. We then leverage our insights to propose a new approach that elegantly combines the strengths of all four approaches. Our approach is a self-supervised learning (SSL) framework - including data, data augmentations, loss functions and a network architecture - motivated from a normative perspective, with no access to supervised position information. Without making assumptions about internal or readout representations, we show that multiple grid cell modules can emerge in networks trained on our SSL framework and that the networks generalize significantly beyond their training distribution. This work contains insights for neuroscientists interested in the origins of grid cells as well as machine learning researchers interested in novel SSL frameworks.

Sparse deep learning has become a popular technique for improving the performance of deep neural networks in areas such as uncertainty quantification, variable selection, and large-scale network compression. However, most existing research has focused on problems where the observations are independent and identically distributed (i.i.d.), and there has been little work on the problems where the observations are dependent, such as time series data and sequential data in natural language processing. This paper aims to address this gap by studying the theory for sparse deep learning with dependent data. We show that sparse recurrent neural networks (RNNs) can be consistently estimated, and their predictions are asymptotically normally distributed under appropriate assumptions, enabling the prediction uncertainty to be correctly quantified. Our numerical results show that sparse deep learning outperforms state-of-the-art methods, such as conformal predictions, in prediction uncertainty quantification for time series data. Furthermore, our results indicate that the proposed method can consistently identify the autoregressive order for time series data and outperform existing methods in large-scale model compression. Our proposed method has important practical implications in fields such as finance, healthcare, and energy, where both accurate point estimates and prediction uncertainty quantification are of concern.