ICML 2023 论文列表

Recent multimodal models such as DALL-E and CM3 have achieved remarkable progress in text-to-image and image-to-text generation. However, these models store all their knowledge (e.g., the appearance of the Eiffel Tower) in the model parameters, requiring increasingly larger models and training data to capture more knowledge. To integrate knowledge in a more scalable and modular way, we propose a retrieval-augmented multimodal model, which enables a base multimodal model (generator) to refer to relevant text and images fetched by a retriever from external memory (e.g., documents on the web). Specifically, for the retriever, we use a pretrained CLIP, and for the generator, we train a CM3 Transformer on the LAION dataset. Our resulting model, named Retrieval-Augmented CM3 (RA-CM3), is the first multimodal model that can retrieve and generate both text and images. We show that RA-CM3 significantly outperforms baseline multimodal models such as DALL-E and CM3 on both image and caption generation tasks (12 FID and 17 CIDEr improvements on MS-COCO), while requiring much less compute for training (<30% of DALL-E). Moreover, we show that RA-CM3 exhibits novel capabilities such as faithful image generation and multimodal in-context learning (e.g., image generation from demonstrations).

Understanding the gradient variance of black-box variational inference (BBVI) is a crucial step for establishing its convergence and developing algorithmic improvements. However, existing studies have yet to show that the gradient variance of BBVI satisfies the conditions used to study the convergence of stochastic gradient descent (SGD), the workhorse of BBVI. In this work, we show that BBVI satisfies a matching bound corresponding to the ABC condition used in the SGD literature when applied to smooth and quadratically-growing log-likelihoods. Our results generalize to nonlinear covariance parameterizations widely used in the practice of BBVI. Furthermore, we show that the variance of the mean-field parameterization has provably superior dimensional dependence.

Large language models excel at a wide range of complex tasks. However, enabling general inference in the real world, e.g. for robotics problems, raises the challenge of grounding. We propose embodied language models to directly incorporate real-world continuous sensor modalities into language models and thereby establish the link between words and percepts. Input to our embodied language model are multimodal sentences that interleave visual, continuous state estimation, and textual input encodings. We train these encodings end-to-end, in conjunction with a pre-trained large language model, for multiple embodied tasks including sequential robotic manipulation planning, visual question answering, and captioning. Our evaluations show that PaLM-E, a single large embodied multimodal model, can address a variety of embodied reasoning tasks, from a variety of observation modalities, on multiple embodiments, and further, exhibits positive transfer: the model benefits from diverse joint training across internet-scale language, vision, and visual-language domains. Our largest model with 562B parameters, in addition to being trained on robotics tasks, is a visual-language generalist with state-of-the-art performance on OK-VQA, and retains generalist language capabilities with increasing scale.

The use of deep neural networks in real-world applications require well-calibrated networks with confidence scores that accurately reflect the actual probability. However, it has been found that these networks often provide over-confident predictions, which leads to poor calibration. Recent efforts have sought to address this issue by focal loss to reduce over-confidence, but this approach can also lead to under-confident predictions. While different variants of focal loss have been explored, it is difficult to find a balance between over-confidence and under-confidence. In our work, we propose a new loss function by focusing on dual logits. Our method not only considers the ground truth logit, but also take into account the highest logit ranked after the ground truth logit. By maximizing the gap between these two logits, our proposed dual focal loss can achieve a better balance between over-confidence and under-confidence. We provide theoretical evidence to support our approach and demonstrate its effectiveness through evaluations on multiple models and datasets, where it achieves state-of-the-art performance. Code is available at https://github.com/Linwei94/DualFocalLoss

The learnware paradigm aims to build a learnware market containing numerous learnwares, each of which is a well-performing machine learning model with a corresponding specification to describe its functionality so that future users can identify useful models for reuse according to their own requirements. With the learnware paradigm, model developers can spontaneously submit models to the market without leaking data privacy, and users can leverage models in the market to accomplish different machine learning tasks without having to build models from scratch. Recent studies have attempted to realize the model specification through Reduced Kernel Mean Embedding (RKME). In this paper, we make an attempt to improve the effectiveness of RKME specification for heterogeneous label spaces, where the learnware market does not contain a model that has the same label space as the user's task, by considering a class-specific model specification explicitly, along with a class-wise learnware identification method. Both theoretical and empirical analyses show that our proposal can quickly and accurately find useful learnwares that satisfy users' requirements. Moreover, we find that for a specific task, reusing a small model identified via the specification performs better than directly reusing a pre-trained generic big model.

Evaluating the performance of machine learning models under distribution shifts is challenging, especially when we only have unlabeled data from the shifted (target) domain, along with labeled data from the original (source) domain. Recent work suggests that the notion of *disagreement*, the degree to which two models trained with different randomness differ on the same input, is a key to tackling this problem. Experimentally, disagreement and prediction error have been shown to be strongly connected, which has been used to estimate model performance. Experiments have led to the discovery of the *disagreement-on-the-line* phenomenon, whereby the classification error under the target domain is often a linear function of the classification error under the source domain; and whenever this property holds, disagreement under the source and target domain follow the same linear relation. In this work, we develop a theoretical foundation for analyzing disagreement in high-dimensional random features regression; and study under what conditions the disagreement-on-the-line phenomenon occurs in our setting. Experiments on CIFAR-10-C, Tiny ImageNet-C, and Camelyon17 are consistent with our theory and support the universality of the theoretical findings.

Self-supervised learning on large-scale Vision Transformers (ViTs) as pre-training methods has achieved promising downstream performance. Yet, how much these pre-training paradigms promote lightweight ViTs' performance is considerably less studied. In this work, we develop and benchmark several self-supervised pre-training methods on image classification tasks and some downstream dense prediction tasks. We surprisingly find that if proper pre-training is adopted, even vanilla lightweight ViTs show comparable performance to previous SOTA networks with delicate architecture design. It breaks the recently popular conception that vanilla ViTs are not suitable for vision tasks in lightweight regimes. We also point out some defects of such pre-training, e.g., failing to benefit from large-scale pre-training data and showing inferior performance on data-insufficient downstream tasks. Furthermore, we analyze and clearly show the effect of such pre-training by analyzing the properties of the layer representation and attention maps for related models. Finally, based on the above analyses, a distillation strategy during pre-training is developed, which leads to further downstream performance improvement for MAE-based pre-training. Code is available at https://github.com/wangsr126/mae-lite.

Recent work has shown that leveraging learned predictions can improve the running time of algorithms for bipartite matching and similar combinatorial problems. In this work, we build on this idea to improve the performance of the widely used Ford-Fulkerson algorithm for computing maximum flows by seeding Ford-Fulkerson with predicted flows. Our proposed method offers strong theoretical performance in terms of the quality of the prediction. We then consider image segmentation, a common use-case of flows in computer vision, and complement our theoretical analysis with strong empirical results.

Recent data-driven approaches based on machine learning aim to directly solve a downstream forecasting or projection task by learning a data-driven functional mapping using deep neural networks. However, these networks are trained using curated and homogeneous climate datasets for specific spatiotemporal tasks, and thus lack the generality of currently used computationally intensive physics-informed numerical models for weather and climate modeling. We develop and demonstrate ClimaX, a flexible and generalizable deep learning model for weather and climate science that can be trained using heterogeneous datasets spanning different variables, spatio-temporal coverage, and physical groundings. ClimaX extends the Transformer architecture with novel encoding and aggregation blocks that allow effective use of available compute and data while maintaining general utility. ClimaX is pretrained with a self-supervised learning objective on climate datasets derived from CMIP6. The pretrained ClimaX can then be fine-tuned to address a breadth of climate and weather tasks, including those that involve atmospheric variables and spatio-temporal scales unseen during pretraining. Compared to existing data-driven baselines, we show that this generality in ClimaX results in superior performance on benchmarks for weather forecasting and climate projections, even when pretrained at lower resolutions and compute budgets. Our source code is available at https://github.com/microsoft/ClimaX.

Sparse coding, which refers to modeling a signal as sparse linear combinations of the elements of a learned dictionary, has proven to be a successful (and interpretable) approach in applications such as signal processing, computer vision, and medical imaging. While this success has spurred much work on provable guarantees for dictionary recovery when the learned dictionary is the same size as the ground-truth dictionary, work on the setting where the learned dictionary is larger (or $\textit{over-realized}$) with respect to the ground truth is comparatively nascent. Existing theoretical results in this setting have been constrained to the case of noise-less data. We show in this work that, in the presence of noise, minimizing the standard dictionary learning objective can fail to recover the elements of the ground-truth dictionary in the over-realized regime, regardless of the magnitude of the signal in the data-generating process. Furthermore, drawing from the growing body of work on self-supervised learning, we propose a novel masking objective for which recovering the ground-truth dictionary is in fact optimal as the signal increases for a large class of data-generating processes. We corroborate our theoretical results with experiments across several parameter regimes showing that our proposed objective also enjoys better empirical performance than the standard reconstruction objective.

Designing machine learning architectures for processing neural networks in their raw weight matrix form is a newly introduced research direction. Unfortunately, the unique symmetry structure of deep weight spaces makes this design very challenging. If successful, such architectures would be capable of performing a wide range of intriguing tasks, from adapting a pre-trained network to a new domain to editing objects represented as functions (INRs or NeRFs). As a first step towards this goal, we present here a novel network architecture for learning in deep weight spaces. It takes as input a concatenation of weights and biases of a pre-trained MLP and processes it using a composition of layers that are equivariant to the natural permutation symmetry of the MLP's weights: Changing the order of neurons in intermediate layers of the MLP does not affect the function it represents. We provide a full characterization of all affine equivariant and invariant layers for these symmetries and show how these layers can be implemented using three basic operations: pooling, broadcasting, and fully connected layers applied to the input in an appropriate manner. We demonstrate the effectiveness of our architecture and its advantages over natural baselines in a variety of learning tasks.

Modeling spatiotemporal dynamical systems is a fundamental challenge in machine learning. Transformer models have been very successful in NLP and computer vision where they provide interpretable representations of data. However, a limitation of transformers in modeling continuous dynamical systems is that they are fundamentally discrete time and space models and thus have no guarantees regarding continuous sampling. To address this challenge, we present the Continuous Spatiotemporal Transformer (CST), a new transformer architecture that is designed for modeling of continuous systems. This new framework guarantees a continuous and smooth output via optimization in Sobolev space. We benchmark CST against traditional transformers as well as other spatiotemporal dynamics modeling methods and achieve superior performance in a number of tasks on synthetic and real systems, including learning brain dynamics from calcium imaging data.

We propose to study and promote the robustness of a model as per its performance on a continuous geodesic interpolation of subpopulations, e.g., a class of samples in a classification problem. Specifically, (1) we augment the data by finding the worst-case Wasserstein barycenter on the geodesic connecting subpopulation distributions. (2) we regularize the model for smoother performance on the continuous geodesic path connecting subpopulation distributions. (3) Additionally, we provide a theoretical guarantee of robustness improvement and investigate how the geodesic location and the sample size contribute, respectively. Experimental validations of the proposed strategy on four datasets including CIFAR-100 and ImageNet, establish the efficacy of our method, e.g., our method improves the baselines' certifiable robustness on CIFAR10 upto 7.7%, with 16.8% on empirical robustness on CIFAR-100. Our work provides a new perspective of model robustness through the lens of Wasserstein geodesic-based interpolation with a practical off-the-shelf strategy that can be combined with existing robust training methods.

Error correcting output codes (ECOCs) have been proposed to improve the robustness of deep neural networks (DNNs) against hardware defects of DNN hardware accelerators. Unfortunately, existing efforts suffer from drawbacks that would greatly impact their practicality: 1) robust accuracy (with defects) improvement at the cost of degraded clean accuracy (without defects); 2) no guarantee on better robust or clean accuracy using stronger ECOCs. In this paper, we first shed light on the connection between these drawbacks and error correlation, and then propose a novel comprehensive error decorrelation framework, namely COLA. Specifically, we propose to reduce inner layer feature error correlation by 1) adopting a separated architecture, where the last portions of the paths to all output nodes are separated, and 2) orthogonalizing weights in common DNN layers so that the intermediate features are orthogonal with each other. We also propose a regularization technique based on total correlation to mitigate overall error correlation at the outputs. The effectiveness of COLA is first analyzed theoretically, and then evaluated experimentally, e.g. up to 6.7% clean accuracy improvement compared with the original DNNs and up to 40% robust accuracy improvement compared to the state-of-the-art ECOC-enhanced DNNs.

The Mallows model is a popular distribution for ranked data. We empirically and theoretically analyze how the properties of rankings sampled from the Mallows model change when increasing the number of alternatives. We find that real-world data behaves differently from the Mallows model, yet is in line with its recent variant proposed by Boehmer et al. [IJCAI '21]. As part of our study, we issue several warnings about using the classic Mallows model. For instance, we find that one should be extremely careful when using the Mallows model to generate data for experiments with a varying number of alternatives, as observed trends in such experiments might be due to the changing nature of the generated data.

Learning heuristics for vehicle routing problems (VRPs) has gained much attention due to the less reliance on hand-crafted rules. However, existing methods are typically trained and tested on the same task with a fixed size and distribution (of nodes), and hence suffer from limited generalization performance. This paper studies a challenging yet realistic setting, which considers generalization across both size and distribution in VRPs. We propose a generic meta-learning framework, which enables effective training of an initialized model with the capability of fast adaptation to new tasks during inference. We further develop a simple yet efficient approximation method to reduce the training overhead. Extensive experiments on both synthetic and benchmark instances of the traveling salesman problem (TSP) and capacitated vehicle routing problem (CVRP) demonstrate the effectiveness of our method. The code is available at: https://github.com/RoyalSkye/Omni-VRP.

With infinitely many high-quality data points, infinite computational power, an infinitely large foundation model with a perfect training algorithm and guaranteed zero generalization error on the pretext task, can the model be used for everything? This question cannot be answered by the existing theory of representation, optimization or generalization, because the issues they mainly investigate are assumed to be nonexistent here. In this paper, we show that category theory provides powerful machinery to answer this question. We have proved three results. The first one limits the power of prompt-based learning, saying that the model can solve a downstream task with prompts if and only if the task is representable. The second one says fine tuning does not have this limit, as a foundation model with the minimum required power (up to symmetry) can theoretically solve downstream tasks for the category defined by pretext task, with fine tuning and enough resources. Our final result can be seen as a new type of generalization theorem, showing that the foundation model can generate unseen objects from the target category (e.g., images) using the structural information from the source category (e.g., texts). Along the way, we provide a categorical framework for supervised and self-supervised learning, which might be of independent interest.

The goal of *data attribution* is to trace model predictions back to training data. Despite a long line of work towards this goal, existing approaches to data attribution tend to force users to choose between computational tractability and efficacy. That is, computationally tractable methods can struggle with accurately attributing model predictions in non-convex settings (e.g., in the context of deep neural networks), while methods that are effective in such regimes require training thousands of models, which makes them impractical for large models or datasets. In this work, we introduce TRAK (Tracing with the Randomly-projected After Kernel), a data attribution method that is both effective *and* computationally tractable for large-scale, differentiable models. In particular, by leveraging only a handful of trained models, TRAK can match the performance of attribution methods that require training thousands of models. We demonstrate the utility of TRAK across various modalities and scales: image classifiers trained on ImageNet, vision-language models (CLIP), and language models (BERT and mT5). We provide code for using TRAK (and reproducing our work) at https://github.com/MadryLab/trak .

We introduce fast algorithms for correlation clustering with respect to the Min Max objective that provide constant factor approximations on complete graphs. Our algorithms are the first purely combinatorial approximation algorithms for this problem. We construct a novel semi-metric on the set of vertices, which we call the correlation metric, that indicates to our clustering algorithms whether pairs of nodes should be in the same cluster. The paper demonstrates empirically that, compared to prior work, our algorithms sacrifice little in the objective quality to obtain significantly better run-time. Moreover, our algorithms scale to larger networks that are effectively intractable for known algorithms.