NeurIPS 2023 论文列表

The advancements in generative modeling, particularly the advent of diffusion models, have sparked a fundamental question: how can these models be effectively used for discriminative tasks? In this work, we find that generative models can be great test-time adapters for discriminative models. Our method, Diffusion-TTA, adapts pre-trained discriminative models such as image classifiers, segmenters and depth predictors, to each unlabelled example in the test set using generative feedback from a diffusion model. We achieve this by modulating the conditioning of the diffusion model using the output of the discriminative model. We then maximize the image likelihood objective by backpropagating the gradients to discriminative model’s parameters. We show Diffusion-TTA significantly enhances the accuracy of various large-scale pre-trained discriminative models, such as, ImageNet classifiers, CLIP models, image pixel labellers and image depth predictors. Diffusion-TTA outperforms existing test-time adaptation methods, including TTT-MAE and TENT, and particularly shines in online adaptation setups, where the discriminative model is continually adapted to each example in the test set. We provide access to code, results, and visualizations on our website: diffusion-tta.github.io/

The popularity of bi-level optimization (BO) in deep learning has spurred a growing interest in studying gradient-based BO algorithms. However, existing algorithms involve two coupled learning rates that can be affected by approximation errors when computing hypergradients, making careful fine-tuning necessary to ensure fast convergence. To alleviate this issue, we investigate the use of recently proposed adaptive step-size methods, namely stochastic line search (SLS) and stochastic Polyak step size (SPS), for computing both the upper and lower-level learning rates. First, we revisit the use of SLS and SPS in single-level optimization without the additional interpolation condition that is typically assumed in prior works. For such settings, we investigate new variants of SLS and SPS that improve upon existing suggestions in the literature and are simpler to implement. Importantly, these two variants can be seen as special instances of general family of methods with an envelope-type step-size. This unified envelope strategy allows for the extension of the algorithms and their convergence guarantees to BO settings. Finally, our extensive experiments demonstrate that the new algorithms, which are available in both SGD and Adam versions, can find large learning rates with minimal tuning and converge faster than corresponding vanilla SGD or Adam BO algorithms that require fine-tuning.

This paper tackles two critical challenges encountered in classifier guidance for diffusion generative models, i.e., the lack of diversity and the presence of adversarial effects. These issues often result in a scarcity of diverse samples or the generation of non-robust features. The underlying cause lies in the mechanism of classifier guidance, where discriminative gradients push samples to be recognized as conditions aggressively. This inadvertently suppresses information with common features among relevant classes, resulting in a limited pool of features with less diversity or the absence of robust features for image construction. We propose a generalized classifier guidance method called Progressive Guidance, which mitigates the problems by allowing relevant classes' gradients to contribute to shared information construction when the image is noisy in early sampling steps. In the later sampling stage, we progressively enhance gradients to refine the details in the image toward the primary condition. This helps to attain a high level of diversity and robustness compared to the vanilla classifier guidance. Experimental results demonstrate that our proposed method further improves the image quality while offering a significant level of diversity as well as robust features.

We study the problem of transfer learning via Multi-Task Representation Learning (MTRL), wherein multiple source tasks are used to learn a good common representation, and a predictor is trained on top of it for the target task. Under standard regularity assumptions on the loss function and task diversity, we provide new statistical rates on the excess risk of the target task, which demonstrate the benefit of representation learning. Importantly, our rates are optimistic, i.e., they interpolate between the standard $O(m^{-1/2})$ rate and the fast $O(m^{-1})$ rate, depending on the difficulty of the learning task, where $m$ is the number of samples for the target task. Besides the main result, we make several new contributions, including giving optimistic rates for excess risk of source tasks (multi-task learning (MTL)), a local Rademacher complexity theorem for MTRL and MTL, as well as a chain rule for local Rademacher complexity for composite predictor classes.

The matrix completion problem involves reconstructing a low-rank matrix by using a given set of revealed (and potentially noisy) entries. Although existing methods address the completion of the entire matrix, the accuracy of the completed entries can vary significantly across the matrix, due to differences in the sampling distribution. For instance, users may rate movies primarily from their country or favorite genres, leading to inaccurate predictions for the majority of completed entries. We propose a novel formulation of the problem as Partial Matrix Completion, where the objective is to complete a substantial subset of the entries with high confidence. Our algorithm efficiently handles the unknown and arbitrarily complex nature of the sampling distribution, ensuring high accuracy for all completed entries and sufficient coverage across the matrix. Additionally, we introduce an online version of the problem and present a low-regret efficient algorithm based on iterative gradient updates. Finally, we conduct a preliminary empirical evaluation of our methods.

Unrestricted adversarial attacks typically manipulate the semantic content of an image (e.g., color or texture) to create adversarial examples that are both effective and photorealistic, demonstrating their ability to deceive human perception and deep neural networks with stealth and success. However, current works usually sacrifice unrestricted degrees and subjectively select some image content to guarantee the photorealism of unrestricted adversarial examples, which limits its attack performance. To ensure the photorealism of adversarial examples and boost attack performance, we propose a novel unrestricted attack framework called Content-based Unrestricted Adversarial Attack. By leveraging a low-dimensional manifold that represents natural images, we map the images onto the manifold and optimize them along its adversarial direction. Therefore, within this framework, we implement Adversarial Content Attack (ACA) based on Stable Diffusion and can generate high transferable unrestricted adversarial examples with various adversarial contents. Extensive experimentation and visualization demonstrate the efficacy of ACA, particularly in surpassing state-of-the-art attacks by an average of 13.3-50.4\% and 16.8-48.0\% in normally trained models and defense methods, respectively.

Multiple sequence alignments (MSAs) of proteins encode rich biological information and have been workhorses in bioinformatic methods for tasks like protein design and protein structure prediction for decades. Recent breakthroughs like AlphaFold2 that use transformers to attend directly over large quantities of raw MSAs have reaffirmed their importance. Generation of MSAs is highly computationally intensive, however, and no datasets comparable to those used to train AlphaFold2 have been made available to the research community, hindering progress in machine learning for proteins. To remedy this problem, we introduce OpenProteinSet, an open-source corpus of more than 16 million MSAs, associated structural homologs from the Protein Data Bank, and AlphaFold2 protein structure predictions. We have previously demonstrated the utility of OpenProteinSet by successfully retraining AlphaFold2 on it. We expect OpenProteinSet to be broadly useful as training and validation data for 1) diverse tasks focused on protein structure, function, and design and 2) large-scale multimodal machine learning research.

The neural network structures of generative models and their corresponding inference models paired in variational autoencoders (VAEs) play a critical role in the models' generative performance. However, powerful VAE network structures are hand-crafted and fixed prior to training, resulting in a one-size-fits-all approach that requires heavy computation to tune for given data. Moreover, existing VAE regularization methods largely overlook the importance of network structures and fail to prevent overfitting in deep VAE models with cascades of hidden layers. To address these issues, we propose a Bayesian inference framework that automatically adapts VAE network structures to data and prevent overfitting as they grow deeper. We model the number of hidden layers with a beta process to infer the most plausible encoding/decoding network depths warranted by data and perform layer-wise dropout regularization with a conjugate Bernoulli process. We develop a scalable estimator that performs joint inference on both VAE network structures and latent variables. Our experiments show that the inference framework effectively prevents overfitting in both shallow and deep VAE models, yielding state-of-the-art performance. We demonstrate that our framework is compatible with different types of VAE backbone networks and can be applied to various VAE variants, further improving their performance.

To ensure secure and dependable mobility in environments shared by humans and robots, social navigation robots should possess the capability to accurately perceive and predict the trajectories of nearby pedestrians. In this paper, we present a novel dataset of pedestrian trajectories, referred to as Social Interactive Pedestrian Trajectory (SiT) dataset, which can be used to train pedestrian detection, tracking, and trajectory prediction models needed to design social navigation robots. Our dataset includes sequential raw data captured by two 3D LiDARs and five cameras covering a 360-degree view, two inertial measurement units (IMUs), and real-time kinematic positioning (RTK), as well as annotations including 2D & 3D boxes, object classes, and object IDs. Thus far, various human trajectory datasets have been introduced to support the development of pedestrian motion forecasting models. Our SiT dataset differs from these datasets in the following three respects. First, whereas the pedestrian trajectory data in other datasets were obtained from static scenes, our data was collected while the robot navigated in a crowded environment, capturing human-robot interactive scenarios in motion. Second, unlike many autonomous driving datasets where pedestrians are usually at a distance from vehicles and found on pedestrian paths, our dataset offers a distinctive view of navigation robots interacting closely with humans in crowded settings.Third, our dataset has been carefully organized to facilitate the training and evaluation of end-to-end prediction models encompassing 3D detection, 3D multi-object tracking, and trajectory prediction. This design allows for an end-to-end unified modular approach across different tasks. We introduce a comprehensive benchmark for assessing models across all aforementioned tasks and present the performance of multiple baseline models as part of our evaluation. Our dataset provides a strong foundation for future research in pedestrian trajectory prediction, which could expedite the development of safe and agile social navigation robots. The SiT dataset, development kit, and trained models are publicly available at: https://spalaboratory.github.io/SiT/

This paper presents Triangulation Residual loss (TR loss) for multiview 3D pose estimation in a data-efficient manner. Existing 3D supervised models usually require large-scale 3D annotated datasets, but the amount of existing data is still insufficient to train supervised models to achieve ideal performance, especially for animal pose estimation. To employ unlabeled multiview data for training, previous epipolar-based consistency provides a self-supervised loss that considers only the local consistency in pairwise views, resulting in limited performance and heavy calculations. In contrast, TR loss enables self-supervision with global multiview geometric consistency. Starting from initial 2D keypoint estimates, the TR loss can fine-tune the corresponding 2D detector without 3D supervision by simply minimizing the smallest singular value of the triangulation matrix in an end-to-end fashion. Our method achieves the state-of-the-art 25.8mm MPJPE and competitive 28.7mm MPJPE with only 5\% 2D labeled training data on the Human3.6M dataset. Experiments on animals such as mice demonstrate our TR loss's data-efficient training ability.

Deep Neural Networks (DNNs) demonstrate remarkable capabilities in learning complex hierarchical data representations, but the nature of these representations remains largely unknown. Existing global explainability methods, such as Network Dissection, face limitations such as reliance on segmentation masks, lack of statistical significance testing, and high computational demands. We propose Inverse Recognition (INVERT), a scalable approach for connecting learned representations with human-understandable concepts by leveraging their capacity to discriminate between these concepts. In contrast to prior work, INVERT is capable of handling diverse types of neurons, exhibits less computational complexity, and does not rely on the availability of segmentation masks. Moreover, INVERT provides an interpretable metric assessing the alignment between the representation and its corresponding explanation and delivering a measure of statistical significance. We demonstrate the applicability of INVERT in various scenarios, including the identification of representations affected by spurious correlations, and the interpretation of the hierarchical structure of decision-making within the models.

Data privacy and long-tailed distribution are the norms rather than the exception in many real-world tasks. This paper investigates a federated long-tailed learning (Fed-LT) task in which each client holds a locally heterogeneous dataset; if the datasets can be globally aggregated, they jointly exhibit a long-tailed distribution. Under such a setting, existing federated optimization and/or centralized long-tailed learning methods hardly apply due to challenges in (a) characterizing the global long-tailed distribution under privacy constraints and (b) adjusting the local learning strategy to cope with the head-tail imbalance. In response, we propose a method termed $\texttt{Fed-GraB}$, comprised of a Self-adjusting Gradient Balancer (SGB) module that re-weights clients' gradients in a closed-loop manner, based on the feedback of global long-tailed distribution evaluated by a Direct Prior Analyzer (DPA) module. Using $\texttt{Fed-GraB}$, clients can effectively alleviate the distribution drift caused by data heterogeneity during the model training process and obtain a global model with better performance on the minority classes while maintaining the performance of the majority classes. Extensive experiments demonstrate that $\texttt{Fed-GraB}$ achieves state-of-the-art performance on representative datasets such as CIFAR-10-LT, CIFAR-100-LT, ImageNet-LT, and iNaturalist.

In the domain of audio processing, Transfer Learning has facilitated the rise of Self-Supervised Learning and Zero-Shot Learning techniques. These approaches have led to the development of versatile models capable of tackling a wide array of tasks, while delivering state-of-the-art performance. However, current models inherently lack the capacity to produce the requisite language for open-ended tasks, such as Audio Captioning or Audio Question Answering. We introduce Pengi, a novel Audio Language Model that leverages Transfer Learning by framing all audio tasks as text-generation tasks. It takes as input, an audio recording, and text, and generates free-form text as output. The input audio is represented as a sequence of continuous embeddings by an audio encoder. A text encoder does the same for the corresponding text input. Both sequences are combined as a prefix to prompt a pre-trained frozen language model. The unified architecture of Pengi enables open-ended tasks and close-ended tasks without any additional fine-tuning or task-specific extensions. When evaluated on 21 downstream tasks, our approach yields state-of-the-art performance in several of them. Our results show that connecting language models with audio models is a major step towards general-purpose audio understanding.

Neural radiance fields (NeRF) rely on volume rendering to synthesize novel views. Volume rendering requires evaluating an integral along each ray, which is numerically approximated with a finite sum that corresponds to the exact integral along the ray under piecewise constant volume density. As a consequence, the rendered result is unstable w.r.t. the choice of samples along the ray, a phenomenon that we dub quadrature instability. We propose a mathematically principled solution by reformulating the sample-based rendering equation so that it corresponds to the exact integral under piecewise linear volume density. This simultaneously resolves multiple issues: conflicts between samples along different rays, imprecise hierarchical sampling, and non-differentiability of quantiles of ray termination distances w.r.t. model parameters. We demonstrate several benefits over the classical sample-based rendering equation, such as sharper textures, better geometric reconstruction, and stronger depth supervision. Our proposed formulation can be also be used as a drop-in replacement to the volume rendering equation of existing NeRF-based methods. Our project page can be found at pl-nerf.github.io.

Adaptive optimization methods are well known to achieve superior convergence relative to vanilla gradient methods. The traditional viewpoint in optimization, particularly in convex optimization, explains this improved performance by arguing that, unlike vanilla gradient schemes, adaptive algorithms mimic the behavior of a second-order method by adapting to the *global* geometry of the loss function. We argue that in the context of neural network optimization, this traditional viewpoint is insufficient. Instead, we advocate for a *local* trajectory analysis. For iterate trajectories produced by running a generic optimization algorithm OPT, we introduce $R^{\text{OPT}}\_{\text{med}}$, a statistic that is analogous to the condition number of the loss Hessian evaluated at the iterates. Through extensive experiments on language models where adaptive algorithms converge faster than vanilla gradient methods like SGD, we show that adaptive methods such as Adam bias the trajectories towards regions where $R^{\text{Adam}}_{\text{med}}$ is small, where one might expect faster optimization. By contrast, SGD (with momentum) biases the trajectories towards regions where $R^{\text{SGD}}\_{\text{med}}$ is comparatively large. We complement these empirical observations with a theoretical result that provably demonstrates this phenomenon in the simplified setting of a two-layer linear network. We view our findings as evidence for the need of a new explanation of the success of adaptive methods, one that is different than the conventional wisdom.

Human Intelligence (HI) excels at combining basic skills to solve complex tasks. This capability is vital for Artificial Intelligence (AI) and should be embedded in comprehensive AI Agents, enabling them to harness expert models for complex task-solving towards Artificial General Intelligence (AGI). Large Language Models (LLMs) show promising learning and reasoning abilities, and can effectively use external models, tools, plugins, or APIs to tackle complex problems. In this work, we introduce OpenAGI, an open-source AGI research and development platform designed for solving multi-step, real-world tasks. Specifically, OpenAGI uses a dual strategy, integrating standard benchmark tasks for benchmarking and evaluation, and open-ended tasks including more expandable models, tools, plugins, or APIs for creative problem-solving. Tasks are presented as natural language queries to the LLM, which then selects and executes appropriate models. We also propose a Reinforcement Learning from Task Feedback (RLTF) mechanism that uses task results to improve the LLM's task-solving ability, which creates a self-improving AI feedback loop. While we acknowledge that AGI is a broad and multifaceted research challenge with no singularly defined solution path, the integration of LLMs with domain-specific expert models, inspired by mirroring the blend of general and specialized intelligence in humans, offers a promising approach towards AGI. We are open-sourcing the OpenAGI project's code, dataset, benchmarks, evaluation methods, and the UI demo to foster community involvement in AGI advancement: https://github.com/agiresearch/OpenAGI.

Finding tight linear bounds for activation functions in neural networks is an essential part of several state of the art neural network robustness certification tools. An activation function is an arbitrary, nonlinear, scalar function $f: \mathbb{R}^d \rightarrow \mathbb{R}$. In the existing work on robustness certification, such bounds have been computed using human ingenuity for a handful of the most popular activation functions. While a number of heuristics have been proposed for bounding arbitrary functions, no analysis of the tightness optimality for general scalar functions has been offered yet, to the best of our knowledge. We fill this gap by formulating a concise optimality criterion for tightness of the approximation which allows us to build optimal bounds for any function convex in the region of interest $R$. For a more general class of functions Lipshitz-continuous in $R$ we propose a sampling-based approach (SOL) which, given an instance of the bounding problem, efficiently computes the tightest linear bounds within a given $\varepsilon > 0$ threshold. We leverage an adaptive sampling technique to iteratively build a set of sample points suitable for representing the target activation function. While the theoretical worst case time complexity of our approach is $O(\varepsilon^{-2d})$, it typically only takes $O(\log^{\beta} \frac{1}{\varepsilon})$ time for some $\beta \ge 1$ and is thus sufficiently fast in practice. We provide empirical evidence of SOL's practicality by incorporating it into a robustness certifier and observing that it produces similar or higher certification rates while taking as low as quarter of the time compared to the other methods.

Reward functions are difficult to design and often hard to align with human intent. Preference-based Reinforcement Learning (RL) algorithms address these problems by learning reward functions from human feedback. However, the majority of preference-based RL methods na\"ively combine supervised reward models with off-the-shelf RL algorithms. Contemporary approaches have sought to improve performance and query complexity by using larger and more complex reward architectures such as transformers. Instead of using highly complex architectures, we develop a new and parameter-efficient algorithm, Inverse Preference Learning (IPL), specifically designed for learning from offline preference data. Our key insight is that for a fixed policy, the $Q$-function encodes all information about the reward function, effectively making them interchangeable. Using this insight, we completely eliminate the need for a learned reward function. Our resulting algorithm is simpler and more parameter-efficient. Across a suite of continuous control and robotics benchmarks, IPL attains competitive performance compared to more complex approaches that leverage transformer-based and non-Markovian reward functions while having fewer algorithmic hyperparameters and learned network parameters. Our code is publicly released.

For medical image segmentation, contrastive learning is the dominant practice to improve the quality of visual representations by contrasting semantically similar and dissimilar pairs of samples. This is enabled by the observation that without accessing ground truth labels, negative examples with truly dissimilar anatomical features, if sampled, can significantly improve the performance. In reality, however, these samples may come from similar anatomical features and the models may struggle to distinguish the minority tail-class samples, making the tail classes more prone to misclassification, both of which typically lead to model collapse. In this paper, we propose $\texttt{ARCO}$, a semi-supervised contrastive learning (CL) framework with stratified group theory for medical image segmentation. In particular, we first propose building $\texttt{ARCO}$ through the concept of variance-reduced estimation, and show that certain variance-reduction techniques are particularly beneficial in pixel/voxel-level segmentation tasks with extremely limited labels. Furthermore, we theoretically prove these sampling techniques are universal in variance reduction. Finally, we experimentally validate our approaches on eight benchmarks, i.e., five 2D/3D medical and three semantic segmentation datasets, with different label settings, and our methods consistently outperform state-of-the-art semi-supervised methods. Additionally, we augment the CL frameworks with these sampling techniques and demonstrate significant gains over previous methods. We believe our work is an important step towards semi-supervised medical image segmentation by quantifying the limitation of current self-supervision objectives for accomplishing such challenging safety-critical tasks.