ICML 2023 Papers

Vision-language representation learning models (e.g., CLIP) have achieved state-of-the-art performance on various downstream tasks, which usually need large-scale training data to learn discriminative representation. Recent progress on generative diffusion models (e.g., DALL-E 2) has demonstrated that diverse high-quality samples can be synthesized by randomly sampling from generative distribution. By virtue of generative capability in this paper, we propose a novel vision-language Representation Learning method with diffusion-based Embedding Generation (RLEG), which exploits diffusion models to generate feature embedding online for learning effective vision-language representation. Specifically, we first adopt image and text encoders to extract the corresponding embeddings. Secondly, pretrained diffusion-based embedding generators are harnessed to transfer the embedding modality online between vision and language domains. The embeddings generated from the generators are then served as augmented embedding-level samples, which are applied to contrastive learning with the variant of the CLIP framework. Experimental results show that the proposed method could learn effective representation and achieve state-of-the-art performance on various tasks including image classification, image-text retrieval, object detection, semantic segmentation, and text-conditional image generation.

Segmentation models predominantly optimize pixel-overlap-based loss, an objective that is actually inadequate for many segmentation tasks. In recent years, their limitations fueled a growing interest in topology-aware methods, which aim to recover the topology of the segmented structures. However, so far, existing methods only consider global topological properties, ignoring the need to preserve topological features spatially, which is crucial for accurate segmentation. We introduce the concept of induced matchings from persistent homology to achieve a spatially correct matching between persistence barcodes in a segmentation setting. Based on this concept, we define the Betti matching error as an interpretable, topologically and feature-wise accurate metric for image segmentations, which resolves the limitations of the Betti number error. Our Betti matching error is differentiable and efficient to use as a loss function. We demonstrate that it improves the topological performance of segmentation networks significantly across six diverse datasets while preserving the performance with respect to traditional scores. Our code is publicly available (https://github.com/nstucki/Betti-matching/).

Sampling diverse programs from a code language model and reranking with model likelihood is a popular method for code generation but it is prone to preferring degenerate solutions. Inspired by collaborative programming, we propose Coder-Reviewer reranking. We augment Coder language models from past work, which generate programs given language instructions, with Reviewer models, which evaluate the likelihood of the instruction given the generated programs. We perform an extensive study across six datasets with eight models from three model families. Experimental results show that Coder-Reviewer reranking leads to consistent and significant improvement (up to 17% absolute accuracy gain) over reranking with the Coder model only. When combined with executability filtering, Coder-Reviewer reranking can often outperform the minimum Bayes risk method. Coder-Reviewer reranking is easy to implement by prompting, can generalize to different programming languages, and works well with off-the-shelf hyperparameters.

We perform an empirical study of the behaviour of deep networks when fully linearizing some of its feature channels through a sparsity prior on the overall number of nonlinear units in the network. In experiments on image classification and machine translation tasks, we investigate how much we can simplify the network function towards linearity before performance collapses. First, we observe a significant performance gap when reducing nonlinearity in the network function early on as opposed to late in training, in-line with recent observations on the time-evolution of the data-dependent NTK. Second, we find that after training, we are able to linearize a significant number of nonlinear units while maintaining a high performance, indicating that much of a network's expressivity remains unused but helps gradient descent in early stages of training. To characterize the depth of the resulting partially linearized network, we introduce a measure called average path length, representing the average number of active nonlinearities encountered along a path in the network graph. Under sparsity pressure, we find that the remaining nonlinear units organize into distinct structures, forming core-networks of near constant effective depth and width, which in turn depend on task difficulty.

Generative models, especially diffusion models (DMs), have achieved promising results for generating feature-rich geometries and advancing foundational science problems such as molecule design. Inspired by the recent huge success of Stable (latent) Diffusion models, we propose a novel and principled method for 3D molecule generation named Geometric Latent Diffusion Models (GeoLDM). GeoLDM is the first latent DM model for the molecular geometry domain, composed of autoencoders encoding structures into continuous latent codes and DMs operating in the latent space. Our key innovation is that for modeling the 3D molecular geometries, we capture its critical roto-translational equivariance constraints by building a point-structured latent space with both invariant scalars and equivariant tensors. Extensive experiments demonstrate that GeoLDM can consistently achieve better performance on multiple molecule generation benchmarks, with up to 7% improvement for the valid percentage of large biomolecules. Results also demonstrate GeoLDM's higher capacity for controllable generation thanks to the latent modeling. Code is provided at https://github.com/MinkaiXu/GeoLDM.

Image perturbation technique is widely used to generate adversarial examples to attack networks, greatly decreasing the performance of networks. Unlike the existing works, in this paper, we introduce a novel framework Deep Perturbation Learning (DPL), the new insights into understanding image perturbations, to enhance the performance of networks rather than decrease the performance. Specifically, we learn image perturbations to amend the data distribution of training set to improve the performance of networks. This optimization w.r.t data distribution is non-trivial. To approach this, we tactfully construct a differentiable optimization target w.r.t. image perturbations via minimizing the empirical risk. Then we propose an alternating optimization of the network weights and perturbations. DPL can easily be adapted to a wide spectrum of downstream tasks and backbone networks. Extensive experiments demonstrate the effectiveness of our DPL on 6 datasets (CIFAR-10, CIFAR100, ImageNet, MS-COCO, PASCAL VOC, and SBD) over 3 popular vision tasks (image classification, object detection, and semantic segmentation) with different backbone architectures (e.g., ResNet, MobileNet, and ViT).

In this paper, we introduce a novel dIffusion language modEl pre-training framework for text generation, which we call GENIE. GENIE is a large-scale pre-trained diffusion language model that consists of an encoder and a diffusion-based decoder, which can generate text by gradually transforming a random noise sequence into a coherent text sequence. To pre-train GENIE on a large-scale language corpus, we design a new continuous paragraph denoise objective, which encourages the diffusion-decoder to reconstruct a clean text paragraph from a corrupted version, while preserving the semantic and syntactic coherence. We evaluate GENIE on four downstream text generation benchmarks, namely XSum, CNN/DailyMail, Gigaword, and CommonGen. Our experimental results show that GENIE achieves comparable performance with the state-of-the-art autoregressive models on these benchmarks, and generates more diverse text samples. The code and models of GENIE are available at https://github.com/microsoft/ProphetNet/tree/master/GENIE.

We present an approach to mitigating the risks of malicious image editing posed by large diffusion models. The key idea is to immunize images so as to make them resistant to manipulation by these models. This immunization relies on injection of imperceptible adversarial perturbations designed to disrupt the operation of the targeted diffusion models, forcing them to generate unrealistic images. We provide two methods for crafting such perturbations, and then demonstrate their efficacy. Finally, we discuss a policy component necessary to make our approach fully effective and practical---one that involves the organizations developing diffusion models, rather than individual users, to implement (and support) the immunization process.

Generative models have enabled the creation of contents that are indistinguishable from those taken from nature. Open-source development of such models raised concerns about the risks of their misuse for malicious purposes. One potential risk mitigation strategy is to attribute generative models via fingerprinting. Current fingerprinting methods exhibit a significant tradeoff between robust attribution accuracy and generation quality while lacking design principles to improve this tradeoff. This paper investigates the use of latent semantic dimensions as fingerprints, from where we can analyze the effects of design variables, including the choice of fingerprinting dimensions, strength, and capacity, on the accuracy-quality tradeoff. Compared with previous SOTA, our method requires minimum computation and is more applicable to large-scale models. We use StyleGAN2 and the latent diffusion model to demonstrate the efficacy of our method.

Visual and linguistic concepts naturally organize themselves in a hierarchy, where a textual concept "dog" entails all images that contain dogs. Despite being intuitive, current large-scale vision and language models such as CLIP do not explicitly capture such hierarchy. We propose MERU, a contrastive model that yields hyperbolic representations of images and text. Hyperbolic spaces have suitable geometric properties to embed tree-like data, so MERU can better capture the underlying hierarchy in image-text datasets. Our results show that MERU learns a highly interpretable and structured representation space while being competitive with CLIP's performance on standard multi-modal tasks like image classification and image-text retrieval.

The design of novel protein structures remains a challenge in protein engineering for applications across biomedicine and chemistry. In this line of work, a diffusion model over rigid bodies in 3D (referred to as frames) has shown success in generating novel, functional protein backbones that have not been observed in nature. However, there exists no principled methodological framework for diffusion on SE(3), the space of orientation preserving rigid motions in R3, that operates on frames and confers the group invariance. We address these shortcomings by developing theoretical foundations of SE(3) invariant diffusion models on multiple frames followed by a novel framework, FrameDiff, for estimating the SE(3) equivariant score over multiple frames. We apply FrameDiff on monomer backbone generation and find it can generate designable monomers up to 500 amino acids without relying on a pretrained protein structure prediction network that has been integral to previous methods. We find our samples are capable of generalizing beyond any known protein structure.

Since their introduction, diffusion models have quickly become the prevailing approach to generative modeling in many domains. They can be interpreted as learning the gradients of a time-varying sequence of log-probability density functions. This interpretation has motivated classifier-based and classifier-free guidance as methods for post-hoc control of diffusion models. In this work, we build upon these ideas using the score-based interpretation of diffusion models, and explore alternative ways to condition, modify, and reuse diffusion models for tasks involving compositional generation and guidance. In particular, we investigate why certain types of composition fail using current techniques and present a number of solutions. We conclude that the sampler (not the model) is responsible for this failure and propose new samplers, inspired by MCMC, which enable successful compositional generation. Further, we propose an energy-based parameterization of diffusion models which enables the use of new compositional operators and more sophisticated, Metropolis-corrected samplers. Intriguingly we find these samplers lead to notable improvements in compositional generation across a wide variety of problems such as classifier-guided ImageNet modeling and compositional text-to-image generation.

We propose TR0N, a highly general framework to turn pre-trained unconditional generative models, such as GANs and VAEs, into conditional models. The conditioning can be highly arbitrary, and requires only a pre-trained auxiliary model. For example, we show how to turn unconditional models into class-conditional ones with the help of a classifier, and also into text-to-image models by leveraging CLIP. TR0N learns a lightweight stochastic mapping which "translates'" between the space of conditions and the latent space of the generative model, in such a way that the generated latent corresponds to a data sample satisfying the desired condition. The translated latent samples are then further improved upon through Langevin dynamics, enabling us to obtain higher-quality data samples. TR0N requires no training data nor fine-tuning, yet can achieve a zero-shot FID of 10.9 on MS-COCO, outperforming competing alternatives not only on this metric, but also in sampling speed -- all while retaining a much higher level of generality. Our code is available at https://github.com/layer6ai-labs/tr0n.

Methods based on ordinary differential equations (ODEs) are widely used to build generative models of time-series. In addition to high computational overhead due to explicitly computing hidden states recurrence, existing ODE-based models fall short in learning sequence data with sharp transitions - common in many real-world systems - due to numerical challenges during optimization. In this work, we propose LS4, a generative model for sequences with latent variables evolving according to a state space ODE to increase modeling capacity. Inspired by recent deep state space models (S4), we achieve speedups by leveraging a convolutional representation of LS4 which bypasses the explicit evaluation of hidden states. We show that LS4 significantly outperforms previous continuous-time generative models in terms of marginal distribution, classification, and prediction scores on real-world datasets in the Monash Forecasting Repository, and is capable of modeling highly stochastic data with sharp temporal transitions. LS4 sets state-of-the-art for continuous-time latent generative models, with significant improvement of mean squared error and tighter variational lower bounds on irregularly-sampled datasets, while also being x100 faster than other baselines on long sequences.

Deep neural networks have been demonstrated to achieve phenomenal success in many domains, and yet their inner mechanisms are not well understood. In this paper, we investigate the curvature of image manifolds, i.e., the manifold deviation from being flat in its principal directions. We find that state-of-the-art trained convolutional neural networks for image classification have a characteristic curvature profile along layers: an initial steep increase, followed by a long phase of a plateau, and followed by another increase. In contrast, this behavior does not appear in untrained networks in which the curvature flattens. We also show that the curvature gap between the last two layers has a strong correlation with the generalization capability of the network. Moreover, we find that the intrinsic dimension of latent codes is not necessarily indicative of curvature. Finally, we observe that common regularization methods such as mixup yield flatter representations when compared to other methods. Our experiments show consistent results over a variety of deep learning architectures and multiple data sets.

Lossy image compression aims to represent images in as few bits as possible while maintaining fidelity to the original. Theoretical results indicate that optimizing distortion metrics such as PSNR or MS-SSIM necessarily leads to a discrepancy in the statistics of original images from those of reconstructions, in particular at low bitrates, often manifested by the blurring of the compressed images. Previous work has leveraged adversarial discriminators to improve statistical fidelity. Yet these binary discriminators adopted from generative modeling tasks may not be ideal for image compression. In this paper, we introduce a non-binary discriminator that is conditioned on quantized local image representations obtained via VQ-VAE autoencoders. Our evaluations on the CLIC2020, DIV2K and Kodak datasets show that our discriminator is more effective for jointly optimizing distortion (e.g., PSNR) and statistical fidelity (e.g., FID) than the PatchGAN of the state-of-the-art HiFiC model. On CLIC2020, we obtain the same FID as HiFiC with 30-40% fewer bits.

Recent studies have shown that paddings in convolutional neural networks encode absolute position information which can negatively affect the model performance for certain tasks. However, existing metrics for quantifying the strength of positional information remain unreliable and frequently lead to erroneous results. To address this issue, we propose novel metrics for measuring and visualizing the encoded positional information. We formally define the encoded information as Position-information Pattern from Padding (PPP) and conduct a series of experiments to study its properties as well as its formation. The proposed metrics measure the presence of positional information more reliably than the existing metrics based on PosENet and tests in F-Conv. We also demonstrate that for any extant (and proposed) padding schemes, PPP is primarily a learning artifact and is less dependent on the characteristics of the underlying padding schemes.

We present Muse, a text-to-image Transformermodel that achieves state-of-the-art image genera-tion performance while being significantly moreefficient than diffusion or autoregressive models.Muse is trained on a masked modeling task indiscrete token space: given the text embeddingextracted from a pre-trained large language model(LLM), Muse learns to predict randomly maskedimage tokens. Compared to pixel-space diffusionmodels, such as Imagen and DALL-E 2, Muse issignificantly more efficient due to the use of dis-crete tokens and requires fewer sampling itera-tions; compared to autoregressive models such asParti, Muse is more efficient due to the use of par-allel decoding. The use of a pre-trained LLM en-ables fine-grained language understanding, whichtranslates to high-fidelity image generation andthe understanding of visual concepts such as ob-jects, their spatial relationships, pose, cardinalityetc. Our 900M parameter model achieves a newSOTA on CC3M, with an FID score of 6.06. TheMuse 3B parameter model achieves an FID of7.88 on zero-shot COCO evaluation, along with aCLIP score of 0.32. Muse also directly enables anumber of image editing applications without theneed to fine-tune or invert the model: inpainting,outpainting, and mask-free editing. More resultsand videos demonstrating editing are available at https://muse-icml.github.io/

In multi-goal Reinforcement Learning, an agent can share experience between related training tasks, resulting in better generalization for new tasks at test time. However, when the goal space has discontinuities and the reward is sparse, a majority of goals are difficult to reach. In this context, a curriculum over goals helps agents learn by adapting training tasks to their current capabilities. In this work, we propose Stein Variational Goal Generation (SVGG), which samples goals of intermediate difficulty for the agent, by leveraging a learned predictive model of its goal reaching capabilities. The distribution of goals is modeled with particles that are attracted in areas of appropriate difficulty using Stein Variational Gradient Descent. We show that SVGG outperforms state-of-the-art multi-goal Reinforcement Learning methods in terms of success coverage in hard exploration problems, and demonstrate that it is endowed with a useful recovery property when the environment changes.