NeurIPS 2023 论文列表

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.

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.

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.

We present DiffInfinite, a hierarchical diffusion model that generates arbitrarily large histological images while preserving long-range correlation structural information. Our approach first generates synthetic segmentation masks, subsequently used as conditions for the high-fidelity generative diffusion process. The proposed sampling method can be scaled up to any desired image size while only requiring small patches for fast training. Moreover, it can be parallelized more efficiently than previous large-content generation methods while avoiding tiling artifacts. The training leverages classifier-free guidance to augment a small, sparsely annotated dataset with unlabelled data. Our method alleviates unique challenges in histopathological imaging practice: large-scale information, costly manual annotation, and protective data handling. The biological plausibility of DiffInfinite data is evaluated in a survey by ten experienced pathologists as well as a downstream classification and segmentation task. Samples from the model score strongly on anti-copying metrics which is relevant for the protection of patient data.

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.

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.

We introduce an efficient optimization-based meta-learning technique for large-scale neural field training by realizing significant memory savings through automated online context point selection. This is achieved by focusing each learning step on the subset of data with the highest expected immediate improvement in model quality, resulting in the almost instantaneous modeling of global structure and subsequent refinement of high-frequency details. We further improve the quality of our meta-learned initialization by introducing a bootstrap correction resulting in the minimization of any error introduced by reduced context sets while simultaneously mitigating the well-known myopia of optimization-based meta-learning. Finally, we show how gradient re-scaling at meta-test time allows the learning of extremely high-quality neural fields in significantly shortened optimization procedures. Our framework is model-agnostic, intuitive, straightforward to implement, and shows significant reconstruction improvements for a wide range of signals. We provide an extensive empirical evaluation on nine datasets across multiple multiple modalities, demonstrating state-of-the-art results while providing additional insight through careful analysis of the algorithmic components constituting our method. Code is available at https://github.com/jihoontack/GradNCP

Machine learning for sign languages is bottlenecked by data. In this paper, we present YouTube-ASL, a large-scale, open-domain corpus of American Sign Language (ASL) videos and accompanying English captions drawn from YouTube. With ~1000 hours of videos and >2500 unique signers, YouTube-ASL is ~3x as large and has ~10x as many unique signers as the largest prior ASL dataset. We train baseline models for ASL to English translation on YouTube-ASL and evaluate them on How2Sign, where we achieve a new fine-tuned state of the art of 12.397 BLEU and, for the first time, nontrivial zero-shot results.

At the heart of foundation models is the philosophy of "more is different", exemplified by the astonishing success in computer vision and natural language processing. However, the challenges of optimization and inherent complexity of transformer models call for a paradigm shift towards simplicity. In this study, we introduce VanillaNet, a neural network architecture that embraces elegance in design. By avoiding high depth, shortcuts, and intricate operations like self-attention, VanillaNet is refreshingly concise yet remarkably powerful. Each layer is carefully crafted to be compact and straightforward, with nonlinear activation functions pruned after training to restore the original architecture. VanillaNet overcomes the challenges of inherent complexity, making it ideal for resource-constrained environments. Its easy-to-understand and highly simplified architecture opens new possibilities for efficient deployment. Extensive experimentation demonstrates that VanillaNet delivers performance on par with renowned deep neural networks and vision transformers, showcasing the power of minimalism in deep learning. This visionary journey of VanillaNet has significant potential to redefine the landscape and challenge the status quo of foundation model, setting a new path for elegant and effective model design. Pre-trained models and codes are available at https://github.com/huawei-noah/VanillaNet and https://gitee.com/mindspore/models/tree/master/research/cv/vanillanet

In deep learning theory, the covariance matrix of the representations serves as a proxy to examine the network’s trainability. Motivated by the success of Transform- ers, we study the covariance matrix of a modified Softmax-based attention model with skip connections in the proportional limit of infinite-depth-and-width. We show that at initialization the limiting distribution can be described by a stochastic differential equation (SDE) indexed by the depth-to-width ratio. To achieve a well-defined stochastic limit, the Transformer’s attention mechanism is modified by centering the Softmax output at identity, and scaling the Softmax logits by a width-dependent temperature parameter. We examine the stability of the network through the corresponding SDE, showing how the scale of both the drift and diffu- sion can be elegantly controlled with the aid of residual connections. The existence of a stable SDE implies that the covariance structure is well-behaved, even for very large depth and width, thus preventing the notorious issues of rank degeneracy in deep attention models. Finally, we show, through simulations, that the SDE provides a surprisingly good description of the corresponding finite-size model. We coin the name shaped Transformer for these architectural modifications.

Exploring large corpora can generate useful discoveries but is time-consuming for humans. We formulate a new task, D5, that automatically discovers differences between two large corpora in a goal-driven way. The task input is a problem comprising a user-specified research goal (“*comparing the side effects of drug A and drug*”) and a corpus pair (two large collections of patients' self-reported reactions after taking each drug). The output is a goal-related description (discovery) of how these corpora differ (patients taking drug A “*mention feelings of paranoia*” more often). We build a D5 system, and to quantitatively evaluate its performance, we 1) build a diagnostic benchmark, SynD5, to test whether it can recover known differences between two synthetic corpora, and 2) contribute a meta-dataset, OpenD5, aggregating 675 open-ended problems ranging across business, social sciences, humanities, machine learning, and health. With both synthetic and real datasets, we confirm that language models can leverage the user-specified goals to propose more relevant candidate discoveries, and they sometimes produce discoveries previously unknown to the authors, including demographic differences in discussion topics, political stances in speech, insights in commercial reviews, and error patterns in NLP models. Finally, we discuss the limitations of the current D5 system, which discovers correlation rather than causation and has the potential to reinforce societal biases when misused; therefore, practitioners should treat the outputs of our system with caution.

Recent research in mechanistic interpretability has attempted to reverse-engineer Transformer models by carefully inspecting network weights and activations. However, these approaches require considerable manual effort and still fall short of providing complete, faithful descriptions of the underlying algorithms. In this work, we introduce a procedure for training Transformers that are mechanistically interpretable by design. We build on RASP [Weiss et al., 2021], a programming language that can be compiled into Transformer weights. Instead of compiling human-written programs into Transformers, we design a modified Transformer that can be trained using gradient-based optimization and then automatically converted into a discrete, human-readable program. We refer to these models as Transformer Programs. To validate our approach, we learn Transformer Programs for a variety of problems, including an in-context learning task, a suite of algorithmic problems (e.g. sorting, recognizing Dyck languages), and NLP tasks including named entity recognition and text classification. The Transformer Programs can automatically find reasonable solutions, performing on par with standard Transformers of comparable size; and, more importantly, they are easy to interpret. To demonstrate these advantages, we convert Transformers into Python programs and use off-the-shelf code analysis tools to debug model errors and identify the “circuits” used to solve different sub-problems. We hope that Transformer Programs open a new path toward the goal of intrinsically interpretable machine learning.

The evaluation of generative models has received significant attention in the machine learning community. When applied to a multi-modal distribution which is common among image datasets, an intuitive evaluation criterion is the number of modes captured by the generative model. While several scores have been proposed to evaluate the quality and diversity of a model's generated data, the correspondence between existing scores and the number of modes in the distribution is unclear. In this work, we propose an information-theoretic diversity evaluation method for multi-modal underlying distributions. We utilize the R\'enyi Kernel Entropy (RKE) as an evaluation score based on quantum information theory to measure the number of modes in generated samples. To interpret the proposed evaluation method, we show that the RKE score can output the number of modes of a mixture of sub-Gaussian components. We also prove estimation error bounds for estimating the RKE score from limited data, suggesting a fast convergence of the empirical RKE score to the score for the underlying data distribution. Utilizing the RKE score, we conduct an extensive evaluation of state-of-the-art generative models over standard image datasets. The numerical results indicate that while the recent algorithms for training generative models manage to improve the mode-based diversity over the earlier architectures, they remain incapable of capturing the full diversity of real data. Our empirical results provide a ranking of widely-used generative models based on the RKE score of their generated samples.

While adversarial training has been extensively studied for ResNet architectures and low resolution datasets like CIFAR-10, much less is known for ImageNet. Given the recent debate about whether transformers are more robust than convnets, we revisit adversarial training on ImageNet comparing ViTs and ConvNeXts. Extensive experiments show that minor changes in architecture, most notably replacing PatchStem with ConvStem, and training scheme have a significant impact on the achieved robustness. These changes not only increase robustness in the seen $\ell_\infty$-threat model, but even more so improve generalization to unseen $\ell_1/\ell_2$-attacks. Our modified ConvNeXt, ConvNeXt + ConvStem, yields the most robust $\ell_\infty$-models across different ranges of model parameters and FLOPs, while our ViT + ConvStem yields the best generalization to unseen threat models.

The radiology report is the main form of communication between radiologists and other clinicians. Prior work in natural language processing in radiology reports has shown the value of developing methods tailored for individual tasks such as identifying reports with critical results or disease detection. Meanwhile, English and biomedical natural language understanding benchmarks such as the General Language Understanding and Evaluation as well as Biomedical Language Understanding and Reasoning Benchmark have motivated the development of models that can be easily adapted to address many tasks in those domains. Here, we characterize the radiology report as a distinct domain and introduce RaLEs, the Radiology Language Evaluations, as a benchmark for natural language understanding and generation in radiology. RaLEs is comprised of seven natural language understanding and generation evaluations including the extraction of anatomical and disease entities and their relations, procedure selection, and report summarization. We characterize the performance of models designed for the general, biomedical, clinical and radiology domains across these tasks. We find that advances in the general and biomedical domains do not necessarily translate to radiology, and that improved models from the general domain can perform comparably to smaller clinical-specific models. The limited performance of existing pre-trained models on RaLEs highlights the opportunity to improve domain-specific self-supervised models for natural language processing in radiology. We propose RaLEs as a benchmark to promote and track the development of such domain-specific radiology language models.

Beam Tree Recursive Neural Network (BT-RvNN) was recently proposed as an extension of Gumbel Tree RvNN and it was shown to achieve state-of-the-art length generalization performance in ListOps while maintaining comparable performance on other tasks. However, although better than previous approaches in terms of memory usage, BT-RvNN can be still exorbitantly expensive. In this paper, we identify the main bottleneck in BT-RvNN's memory usage to be the entanglement of the scorer function and the recursive cell function. We propose strategies to remove this bottleneck and further simplify its memory usage. Overall, our strategies not only reduce the memory usage of BT-RvNN by $10-16$ times but also create a new state-of-the-art in ListOps while maintaining similar performance in other tasks. In addition, we also propose a strategy to utilize the induced latent-tree node representations produced by BT-RvNN to turn BT-RvNN from a sentence encoder of the form $f:\mathbb{R}^{n \times d} \rightarrow \mathbb{R}^{d}$ into a token contextualizer of the form $f:\mathbb{R}^{n \times d} \rightarrow \mathbb{R}^{n \times d}$. Thus, our proposals not only open up a path for further scalability of RvNNs but also standardize a way to use BT-RvNNs as another building block in the deep learning toolkit that can be easily stacked or interfaced with other popular models such as Transformers and Structured State Space models. Our code is available at the link: https://github.com/JRC1995/BeamRecursionFamily.

Generative transformer models have become increasingly complex, with large numbers of parameters and the ability to process multiple input modalities. Current methods for explaining their predictions are resource-intensive. Most crucially, they require prohibitively large amounts of additional memory, since they rely on backpropagation which allocates almost twice as much GPU memory as the forward pass. This makes it difficult, if not impossible, to use explanations in production. We present AtMan that provides explanations of generative transformer models at almost no extra cost. Specifically, AtMan is a modality-agnostic perturbation method that manipulates the attention mechanisms of transformers to produce relevance maps for the input with respect to the output prediction. Instead of using backpropagation, AtMan applies a parallelizable token-based search method relying on cosine similarity neighborhood in the embedding space. Our exhaustive experiments on text and image-text benchmarks demonstrate that AtMan outperforms current state-of-the-art gradient-based methods on several metrics while being computationally efficient. As such, AtMan is suitable for use in large model inference deployments.

Federated Learning (FL) is a decentralized machine learning paradigm that enables collaborative model training across dispersed nodes without having to force individual nodes to share data. However, its broad adoption is hindered by the high communication costs of transmitting a large number of model parameters. This paper presents EvoFed, a novel approach that integrates Evolutionary Strategies (ES) with FL to address these challenges. EvoFed employs a concept of `fitness-based information sharing’, deviating significantly from the conventional model-based FL. Rather than exchanging the actual updated model parameters, each node transmits a distance-based similarity measure between the locally updated model and each member of the noise-perturbed model population. Each node, as well as the server, generates an identical population set of perturbed models in a completely synchronized fashion using the same random seeds. With properly chosen noise variance and population size, perturbed models can be combined to closely reflect the actual model updated using the local dataset, allowing the transmitted similarity measures (or fitness values) to carry nearly the complete information about the model parameters. As the population size is typically much smaller than the number of model parameters, the savings in communication load is large. The server aggregates these fitness values and is able to update the global model. This global fitness vector is then disseminated back to the nodes, each of which applies the same update to be synchronized to the global model. Our analysis shows that EvoFed converges, and our experimental results validate that at the cost of increased local processing loads, EvoFed achieves performance comparable to FedAvg while reducing overall communication requirements drastically in various practical settings.

In privacy-preserving machine learning, differentially private stochastic gradient descent (DP-SGD) performs worse than SGD due to per-sample gradient clipping and noise addition. A recent focus in private learning research is improving the performance of DP-SGD on private data by incorporating priors that are learned on real-world public data. In this work, we explore how we can improve the privacy-utility tradeoff of DP-SGD by learning priors from images generated by random processes and transferring these priors to private data. We propose DP-RandP, a three-phase approach. We attain new state-of-the-art accuracy when training from scratch on CIFAR10, CIFAR100, MedMNIST and ImageNet for a range of privacy budgets $\\varepsilon \\in [1, 8]$. In particular, we improve the previous best reported accuracy on CIFAR10 from $60.6 \\%$ to $72.3 \\%$ for $\\varepsilon=1$.