NeurIPS 2023 论文列表

Training a single model on multiple input domains and/or output tasks allows for compressing information from multiple sources into a unified backbone hence improves model efficiency. It also enables potential positive knowledge transfer across tasks/domains, leading to improved accuracy and data-efficient training. However, optimizing such networks is a challenge, in particular due to discrepancies between the different tasks or domains: Despite several hypotheses and solutions proposed over the years, recent work has shown that uniform scalarization training, i.e., simply minimizing the average of the task losses, yields on-par performance with more costly SotA optimization methods. This raises the issue of how well we understand the training dynamics of multi-task and multi-domain networks. In this work, we first devise a large-scale unified analysis of multi-domain and multi-task learning to better understand the dynamics of scalarization across varied task/domain combinations and model sizes. Following these insights, we then propose to leverage population-based training to efficiently search for the optimal scalarization weights when dealing with a large number of tasks or domains.

Injective multiset functions have a key role in the theoretical study of machine learning on multisets and graphs. Yet, there remains a gap between the provably injective multiset functions considered in theory, which typically rely on polynomial moments, and the multiset functions used in practice, which rely on $\textit{neural moments}$ — whose injectivity on multisets has not been studied to date. In this paper, we bridge this gap by showing that moments of neural networks do define injective multiset functions, provided that an analytic non-polynomial activation is used. The number of moments required by our theory is optimal essentially up to a multiplicative factor of two. To prove this result, we state and prove a $\textit{finite witness theorem}$, which is of independent interest. As a corollary to our main theorem, we derive new approximation results for functions on multisets and measures, and new separation results for graph neural networks. We also provide two negative results: (1) moments of piecewise-linear neural networks cannot be injective multiset functions; and (2) even when moment-based multiset functions are injective, they can never be bi-Lipschitz.

With ever increasing parameters and computation, vision-language pre-trained (VLP) models exhibit prohibitive expenditure in downstream task adaption. Recent endeavors mainly focus on parameter efficient transfer learning (PETL) for VLP models by only updating a small number of parameters. However, excessive computational overhead still plagues the application of VLPs. In this paper, we aim at parameter and computation efficient transfer learning (PCETL) for VLP models. In particular, PCETL not only needs to limit the number of trainable parameters in VLP models, but also to reduce the computational redundancy during inference, thus enabling a more efficient transfer. To approach this target, we propose a novel dynamic architecture skipping (DAS) approach towards effective PCETL. Instead of directly optimizing the intrinsic architectures of VLP models, DAS first observes the significances of their modules to downstream tasks via a reinforcement learning (RL) based process, and then skips the redundant ones with lightweight networks, i.e. adapters, according to the obtained rewards. In this case, the VLP model can well maintain the scale of trainable parameters while speeding up its inference on downstream tasks. To validate DAS, we apply it to two representative VLP models, namely ViLT and METER, and conduct extensive experiments on a bunch of VL tasks. The experimental results not only show the great advantages of DAS in reducing computational complexity, e.g. -11.97% FLOPs of METER on VQA2.0, but also confirm its competitiveness against existing PETL methods in terms of parameter scale and performance. Our source code is given in our appendix.

Deep neural networks (DNNs) are ubiquitous in computer vision and natural language processing, but suffer from high inference cost. This problem can be addressed by quantization, which consists in converting floating point operations into a lower bit-width format. With the growing concerns on privacy rights, we focus our efforts on data-free methods. However, such techniques suffer from their lack of adaptability to the target devices, as a hardware typically only supports specific bit widths. Thus, to adapt to a variety of devices, a quantization method shall be flexible enough to find good accuracy v.s. speed trade-offs for every bit width and target device. To achieve this, we propose REx, a quantization method that leverages residual error expansion, along with group sparsity. We show experimentally that REx enables better trade-offs (in terms of accuracy given any target bit-width) on both convnets and transformers for computer vision, as well as NLP models. In particular, when applied to large language models, we show that REx elegantly solves the outlier problem that hinders state-of-the-art quantization methods. In addition, REx is backed off by strong theoretical guarantees on the preservation of the predictive function of the original model. Lastly, we show that REx is agnostic to the quantization operator and can be used in combination with previous quantization work.

Despite the connection established by optimization-induced deep equilibrium models (OptEqs) between their output and the underlying hidden optimization problems, the performance of it along with its related works is still not good enough especially when compared to deep networks. One key factor responsible for this performance limitation is the use of linear kernels to extract features in these models. To address this issue, we propose a novel approach by replacing its linear kernel with a new function that can readily capture nonlinear feature dependencies in the input data. Drawing inspiration from classical machine learning algorithms, we introduce Gaussian kernels as the alternative function and then propose our new equilibrium model, which we refer to as GEQ. By leveraging Gaussian kernels, GEQ can effectively extract the nonlinear information embedded within the input features, surpassing the performance of the original OptEqs. Moreover, GEQ can be perceived as a weight-tied neural network with infinite width and depth. GEQ also enjoys better theoretical properties and improved overall performance. Additionally, our GEQ exhibits enhanced stability when confronted with various samples. We further substantiate the effectiveness and stability of GEQ through a series of comprehensive experiments.

Generalized Additive Models (GAMs) have recently experienced a resurgence in popularity due to their interpretability, which arises from expressing the target value as a sum of non-linear transformations of the features. Despite the current enthusiasm for GAMs, their susceptibility to concurvity — i.e., (possibly non-linear) dependencies between the features — has hitherto been largely overlooked. Here, we demonstrate how concurvity can severly impair the interpretability of GAMs and propose a remedy: a conceptually simple, yet effective regularizer which penalizes pairwise correlations of the non-linearly transformed feature variables. This procedure is applicable to any differentiable additive model, such as Neural Additive Models or NeuralProphet, and enhances interpretability by eliminating ambiguities due to self-canceling feature contributions. We validate the effectiveness of our regularizer in experiments on synthetic as well as real-world datasets for time-series and tabular data. Our experiments show that concurvity in GAMs can be reduced without significantly compromising prediction quality, improving interpretability and reducing variance in the feature importances.

In reverberant conditions with multiple concurrent speakers, each microphone acquires a mixture signal of multiple speakers at a different location. In over-determined conditions where the microphones out-number speakers, we can narrow down the solutions to speaker images and realize unsupervised speech separation by leveraging each mixture signal as a constraint (i.e., the estimated speaker images at a microphone should add up to the mixture). Equipped with this insight, we propose UNSSOR, an algorithm for $\underline{u}$nsupervised $\underline{n}$eural $\underline{s}$peech $\underline{s}$eparation by leveraging $\underline{o}$ver-determined training mixtu$\underline{r}$es. At each training step, we feed an input mixture to a deep neural network (DNN) to produce an intermediate estimate for each speaker, linearly filter the estimates, and optimize a loss so that, at each microphone, the filtered estimates of all the speakers can add up to the mixture to satisfy the above constraint. We show that this loss can promote unsupervised separation of speakers. The linear filters are computed in each sub-band based on the mixture and DNN estimates through the forward convolutive prediction (FCP) algorithm. To address the frequency permutation problem incurred by using sub-band FCP, a loss term based on minimizing intra-source magnitude scattering is proposed. Although UNSSOR requires over-determined training mixtures, we can train DNNs to achieve under-determined separation (e.g., unsupervised monaural speech separation). Evaluation results on two-speaker separation in reverberant conditions show the effectiveness and potential of UNSSOR.

Google's quantum supremacy announcement has received broad questions from academia and industry due to the debatable estimate of 10,000 years' running time for the classical simulation task on the Summit supercomputer. Has quantum supremacy already come? Or will it come in one or two decades later? To avoid hasty advertisements of quantum supremacy by tech giants or quantum startups and eliminate the cost of dedicating a team to the classical simulation task, we advocate an open-source approach to maintain a trustable benchmark performance. In this paper, we take a reinforcement learning approach for the classical simulation of quantum circuits and demonstrate its great potential by reporting an estimated simulation time of less than 4 days, a speedup of 5.40x over the state-of-the-art method. Specifically, we formulate the classical simulation task as a tensor network contraction ordering problem using the K-spin Ising model and employ a novel Hamiltonina-based reinforcement learning algorithm. Then, we establish standard criteria to evaluate the performance of classical simulation of quantum circuits. We develop a dozen of massively parallel environments to simulate quantum circuits. We open-source our parallel gym environments and benchmarks. We hope the AI/ML community and quantum physics community will collaborate to maintain reference curves for validating an unequivocal first demonstration of empirical quantum supremacy.

Achieving a balance between image quality (precision) and diversity (recall) is a significant challenge in the domain of generative models. Current state-of-the-art models primarily rely on optimizing heuristics, such as the Fr\'echet Inception Distance. While recent developments have introduced principled methods for evaluating precision and recall, they have yet to be successfully integrated into the training of generative models. Our main contribution is a novel training method for generative models, such as Generative Adversarial Networks and Normalizing Flows, which explicitly optimizes a user-defined trade-off between precision and recall. More precisely, we show that achieving a specified precision-recall trade-off corresponds to minimizing a unique $f$-divergence from a family we call the \mbox{\em PR-divergences}. Conversely, any $f$-divergence can be written as a linear combination of PR-divergences and corresponds to a weighted precision-recall trade-off. Through comprehensive evaluations, we show that our approach improves the performance of existing state-of-the-art models like BigGAN in terms of either precision or recall when tested on datasets such as ImageNet.

In variational inference, the benefits of Bayesian models rely on accurately capturing the true posterior distribution. We propose using neural samplers that specify implicit distributions, which are well-suited for approximating complex multimodal and correlated posteriors in high-dimensional spaces. Our approach introduces novel bounds for approximate inference using implicit distributions by locally linearising the neural sampler. This is distinct from existing methods that rely on additional discriminator networks and unstable adversarial objectives. Furthermore, we present a new sampler architecture that, for the first time, enables implicit distributions over tens of millions of latent variables, addressing computational concerns by using differentiable numerical approximations. We empirically show that our method is capable of recovering correlations across layers in large Bayesian neural networks, a property that is crucial for a network's performance but notoriously challenging to achieve. To the best of our knowledge, no other method has been shown to accomplish this task for such large models. Through experiments in downstream tasks, we demonstrate that our expressive posteriors outperform state-of-the-art uncertainty quantification methods, validating the effectiveness of our training algorithm and the quality of the learned implicit approximation.

For safety and robustness of AI systems, we introduce _topological parallax_ as a theoretical and computational tool that compares a trained model to a reference dataset to determine whether they have similar multiscale geometric structure. Our proofs and examples show that this geometric similarity between dataset and model is essential to trustworthy interpolation and perturbation, and we conjecture that this new concept will add value to the current debate regarding the unclear relationship between "overfitting"' and "generalization'' in applications of deep-learning. In typical deep-learning applications, an explicit geometric description of the model is impossible, but parallax can estimate topological features (components, cycles, voids, etc.) in the model by examining the effect on the Rips complex of geodesic distortions using the reference dataset. Thus, parallax indicates whether the model shares similar multiscale geometric features with the dataset. Parallax presents theoretically via topological data analysis [TDA] as a bi-filtered persistence module, and the key properties of this module are stable under perturbation of the reference dataset.

Preparing training data for deep vision models is a labor-intensive task. To address this, generative models have emerged as an effective solution for generating synthetic data. While current generative models produce image-level category labels, we propose a novel method for generating pixel-level semantic segmentation labels using the text-to-image generative model Stable Diffusion (SD). By utilizing the text prompts, cross-attention, and self-attention of SD, we introduce three new techniques: class-prompt appending, class-prompt cross-attention, and self-attention exponentiation. These techniques enable us to generate segmentation maps corresponding to synthetic images. These maps serve as pseudo-labels for training semantic segmenters, eliminating the need for labor-intensive pixel-wise annotation. To account for the imperfections in our pseudo-labels, we incorporate uncertainty regions into the segmentation, allowing us to disregard loss from those regions. We conduct evaluations on two datasets, PASCAL VOC and MSCOCO, and our approach significantly outperforms concurrent work. Our benchmarks and code will be released at https://github.com/VinAIResearch/Dataset-Diffusion.

Collaborative machine learning (ML) is widely used to enable institutions to learn better models from distributed data. While collaborative approaches to learning intuitively protect user data, they remain vulnerable to either the server, the clients, or both, deviating from the protocol. Indeed, because the protocol is asymmetric, a malicious server can abuse its power to reconstruct client data points. Conversely, malicious clients can corrupt learning with malicious updates. Thus, both clients and servers require a guarantee when the other cannot be trusted to fully cooperate. In this work, we propose a peer-to-peer (P2P) learning scheme that is secure against malicious servers and robust to malicious clients. Our core contribution is a generic framework that transforms any (compatible) algorithm for robust aggregation of model updates to the setting where servers and clients can act maliciously. Finally, we demonstrate the computational efficiency of our approach even with 1-million parameter models trained by 100s of peers on standard datasets.

Open-set fine-grained retrieval is an emerging challenging task that allows to retrieve unknown categories beyond the training set. The best solution for handling unknown categories is to represent them using a set of visual attributes learnt from known categories, as widely used in zero-shot learning. Though important, attribute modeling usually requires significant manual annotations and thus is labor-intensive. Therefore, it is worth to investigate how to transform retrieval models trained by image-level supervision from category semantic extraction to attribute modeling. To this end, we propose a novel Visual Attribute Parameterization Network (VAPNet) to learn visual attributes from known categories and parameterize them into the retrieval model, without the involvement of any attribute annotations. In this way, VAPNet could utilize its parameters to parse a set of visual attributes from unknown categories and precisely represent them. Technically, VAPNet explicitly attains some semantics with rich details via making use of local image patches and distills the visual attributes from these discovered semantics. Additionally, it integrates the online refinement of these visual attributes into the training process to iteratively enhance their quality. Simultaneously, VAPNet treats these attributes as supervisory signals to tune the retrieval models, thereby achieving attribute parameterization. Extensive experiments on open-set fine-grained retrieval datasets validate the superior performance of our VAPNet over existing solutions.

Bayesian brain theory suggests that the brain employs generative models to understand the external world. The sampling-based perspective posits that the brain infers the posterior distribution through samples of stochastic neuronal responses. Additionally, the brain continually updates its generative model to approach the true distribution of the external world. In this study, we introduce the Hierarchical Exponential-family Energy-based (HEE) model, which captures the dynamics of inference and learning. In the HEE model, we decompose the partition function into individual layers and leverage a group of neurons with shorter time constants to sample the gradient of the decomposed normalization term. This allows our model to estimate the partition function and perform inference simultaneously, circumventing the negative phase encountered in conventional energy-based models (EBMs). As a result, the learning process is localized both in time and space, and the model is easy to converge. To match the brain's rapid computation, we demonstrate that neural adaptation can serve as a momentum term, significantly accelerating the inference process. On natural image datasets, our model exhibits representations akin to those observed in the biological visual system. Furthermore, for the machine learning community, our model can generate observations through joint or marginal generation. We show that marginal generation outperforms joint generation and achieves performance on par with other EBMs.

Few-shot learning aims to adapt models trained on the base dataset to novel tasks where the categories were not seen by the model before. This often leads to a relatively concentrated distribution of feature values across channels on novel classes, posing challenges in determining channel importance for novel tasks. Standard few-shot learning methods employ geometric similarity metrics such as cosine similarity and negative Euclidean distance to gauge the semantic relatedness between two features. However, features with high geometric similarities may carry distinct semantics, especially in the context of few-shot learning. In this paper, we demonstrate that the importance ranking of feature channels is a more reliable indicator for few-shot learning than geometric similarity metrics. We observe that replacing the geometric similarity metric with Kendall’s rank correlation only during inference is able to improve the performance of few-shot learning across a wide range of methods and datasets with different domains. Furthermore, we propose a carefully designed differentiable loss for meta-training to address the non-differentiability issue of Kendall’s rank correlation. By replacing geometric similarity with differentiable Kendall’s rank correlation, our method can integrate with numerous existing few-shot approaches and is ready for integrating with future state-of-the-art methods that rely on geometric similarity metrics. Extensive experiments validate the efficacy of the rank-correlation-based approach, showcasing a significant improvement in few-shot learning.

Intracortical brain-computer interfaces (iBCIs) have shown promise for restoring rapid communication to people with neurological disorders such as amyotrophic lateral sclerosis (ALS). However, to maintain high performance over time, iBCIs typically need frequent recalibration to combat changes in the neural recordings that accrue over days. This requires iBCI users to stop using the iBCI and engage in supervised data collection, making the iBCI system hard to use. In this paper, we propose a method that enables self-recalibration of communication iBCIs without interrupting the user. Our method leverages large language models (LMs) to automatically correct errors in iBCI outputs. The self-recalibration process uses these corrected outputs ("pseudo-labels") to continually update the iBCI decoder online. Over a period of more than one year (403 days), we evaluated our Continual Online Recalibration with Pseudo-labels (CORP) framework with one clinical trial participant. CORP achieved a stable decoding accuracy of 93.84% in an online handwriting iBCI task, significantly outperforming other baseline methods. Notably, this is the longest-running iBCI stability demonstration involving a human participant. Our results provide the first evidence for long-term stabilization of a plug-and-play, high-performance communication iBCI, addressing a major barrier for the clinical translation of iBCIs.

Many areas of machine learning and science involve large linear algebra problems, such as eigendecompositions, solving linear systems, computing matrix exponentials, and trace estimation. The matrices involved often have Kronecker, convolutional, block diagonal, sum, or product structure. In this paper, we propose a simple but general framework for large-scale linear algebra problems in machine learning, named CoLA (Compositional Linear Algebra). By combining a linear operator abstraction with compositional dispatch rules, CoLA automatically constructs memory and runtime efficient numerical algorithms. Moreover, CoLA provides memory efficient automatic differentiation, low precision computation, and GPU acceleration in both JAX and PyTorch, while also accommodating new objects, operations, and rules in downstream packages via multiple dispatch. CoLA can accelerate many algebraic operations, while making it easy to prototype matrix structures and algorithms, providing an appealing drop-in tool for virtually any computational effort that requires linear algebra. We showcase its efficacy across a broad range of applications, including partial differential equations, Gaussian processes, equivariant model construction, and unsupervised learning.

This paper concerns the structure of learned representations in text-guided generative models, focusing on score-based models. A key property of such models is that they can compose disparate concepts in a 'disentangled' manner.This suggests these models have internal representations that encode concepts in a 'disentangled' manner. Here, we focus on the idea that concepts are encoded as subspaces of some representation space. We formalize what this means, show there's a natural choice for the representation, and develop a simple method for identifying the part of the representation corresponding to a given concept. In particular, this allows us to manipulate the concepts expressed by the model through algebraic manipulation of the representation. We demonstrate the idea with examples using Stable Diffusion.