arXiv subjects

Chengyue Gong

Publications and source records attributed to Chengyue Gong.

36 records · Page 2Linked to original sources

arXiv2022

Diffusion-based Molecule Generation with Informative Prior Bridges

AI-based molecule generation provides a promising approach to a large area of biomedical sciences and engineering, such as antibody design, hydrolase engineering, or vaccine development. Because the molecules are governed by physical laws, a key challenge is to incorporate prior information into the training procedure to generate high-quality and realistic molecules. We propose a simple and novel approach to steer the training of diffusion-based generative models with physical and statistics prior information. This is achieved by constructing physically informed diffusion bridges, stochastic processes that guarantee to yield a given observation at the fixed terminal time. We develop a Lyapunov function based method to construct and determine bridges, and propose a number of proposals of informative prior bridges for both high-quality molecule generation and uniformity-promoted 3D point cloud generation. With comprehensive experiments, we show that our method provides a powerful approach to the 3D generation task, yielding molecule structures with better quality and stability scores and more uniformly distributed point clouds of high qualities.

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arXiv2022

How to Fill the Optimum Set? Population Gradient Descent with Harmless Diversity

Although traditional optimization methods focus on finding a single optimal solution, most objective functions in modern machine learning problems, especially those in deep learning, often have multiple or infinite numbers of optima. Therefore, it is useful to consider the problem of finding a set of diverse points in the optimum set of an objective function. In this work, we frame this problem as a bi-level optimization problem of maximizing a diversity score inside the optimum set of the main loss function, and solve it with a simple population gradient descent framework that iteratively updates the points to maximize the diversity score in a fashion that does not hurt the optimization of the main loss. We demonstrate that our method can efficiently generate diverse solutions on a variety of applications, including text-to-image generation, text-to-mesh generation, molecular conformation generation and ensemble neural network training.

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arXiv2021

FuseDream: Training-Free Text-to-Image Generation with Improved CLIP+GAN Space Optimization

Generating images from natural language instructions is an intriguing yet highly challenging task. We approach text-to-image generation by combining the power of the retrained CLIP representation with an off-the-shelf image generator (GANs), optimizing in the latent space of GAN to find images that achieve maximum CLIP score with the given input text. Compared to traditional methods that train generative models from text to image starting from scratch, the CLIP+GAN approach is training-free, zero shot and can be easily customized with different generators. However, optimizing CLIP score in the GAN space casts a highly challenging optimization problem and off-the-shelf optimizers such as Adam fail to yield satisfying results. In this work, we propose a FuseDream pipeline, which improves the CLIP+GAN approach with three key techniques: 1) an AugCLIP score which robustifies the CLIP objective by introducing random augmentation on image. 2) a novel initialization and over-parameterization strategy for optimization which allows us to efficiently navigate the non-convex landscape in GAN space. 3) a composed generation technique which, by leveraging a novel bi-level optimization formulation, can compose multiple images to extend the GAN space and overcome the data-bias. When promoted by different input text, FuseDream can generate high-quality images with varying objects, backgrounds, artistic styles, even novel counterfactual concepts that do not appear in the training data of the GAN we use. Quantitatively, the images generated by FuseDream yield top-level Inception score and FID score on MS COCO dataset, without additional architecture design or training. Our code is publicly available at \url{https://github.com/gnobitab/FuseDream}.

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arXiv2021

Learning with Different Amounts of Annotation: From Zero to Many Labels

Training NLP systems typically assumes access to annotated data that has a single human label per example. Given imperfect labeling from annotators and inherent ambiguity of language, we hypothesize that single label is not sufficient to learn the spectrum of language interpretation. We explore new annotation distribution schemes, assigning multiple labels per example for a small subset of training examples. Introducing such multi label examples at the cost of annotating fewer examples brings clear gains on natural language inference task and entity typing task, even when we simply first train with a single label data and then fine tune with multi label examples. Extending a MixUp data augmentation framework, we propose a learning algorithm that can learn from training examples with different amount of annotation (with zero, one, or multiple labels). This algorithm efficiently combines signals from uneven training data and brings additional gains in low annotation budget and cross domain settings. Together, our method achieves consistent gains in two tasks, suggesting distributing labels unevenly among training examples can be beneficial for many NLP tasks.

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arXiv2021

Vision Transformers with Patch Diversification

Vision transformer has demonstrated promising performance on challenging computer vision tasks. However, directly training the vision transformers may yield unstable and sub-optimal results. Recent works propose to improve the performance of the vision transformers by modifying the transformer structures, e.g., incorporating convolution layers. In contrast, we investigate an orthogonal approach to stabilize the vision transformer training without modifying the networks. We observe the instability of the training can be attributed to the significant similarity across the extracted patch representations. More specifically, for deep vision transformers, the self-attention blocks tend to map different patches into similar latent representations, yielding information loss and performance degradation. To alleviate this problem, in this work, we introduce novel loss functions in vision transformer training to explicitly encourage diversity across patch representations for more discriminative feature extraction. We empirically show that our proposed techniques stabilize the training and allow us to train wider and deeper vision transformers. We further show the diversified features significantly benefit the downstream tasks in transfer learning. For semantic segmentation, we enhance the state-of-the-art (SOTA) results on Cityscapes and ADE20k. Our code is available at https://github.com/ChengyueGongR/PatchVisionTransformer.

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arXiv2021

AlphaNet: Improved Training of Supernets with Alpha-Divergence

Weight-sharing neural architecture search (NAS) is an effective technique for automating efficient neural architecture design. Weight-sharing NAS builds a supernet that assembles all the architectures as its sub-networks and jointly trains the supernet with the sub-networks. The success of weight-sharing NAS heavily relies on distilling the knowledge of the supernet to the sub-networks. However, we find that the widely used distillation divergence, i.e., KL divergence, may lead to student sub-networks that over-estimate or under-estimate the uncertainty of the teacher supernet, leading to inferior performance of the sub-networks. In this work, we propose to improve the supernet training with a more generalized alpha-divergence. By adaptively selecting the alpha-divergence, we simultaneously prevent the over-estimation or under-estimation of the uncertainty of the teacher model. We apply the proposed alpha-divergence based supernets training to both slimmable neural networks and weight-sharing NAS, and demonstrate significant improvements. Specifically, our discovered model family, AlphaNet, outperforms prior-art models on a wide range of FLOPs regimes, including BigNAS, Once-for-All networks, and AttentiveNAS. We achieve ImageNet top-1 accuracy of 80.0% with only 444M FLOPs. Our code and pretrained models are available at https://github.com/facebookresearch/AlphaNet.

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arXiv2021

Knowing More About Questions Can Help: Improving Calibration in Question Answering

We study calibration in question answering, estimating whether model correctly predicts answer for each question. Unlike prior work which mainly rely on the model's confidence score, our calibrator incorporates information about the input example (e.g., question and the evidence context). Together with data augmentation via back translation, our simple approach achieves 5-10% gains in calibration accuracy on reading comprehension benchmarks. Furthermore, we present the first calibration study in the open retrieval setting, comparing the calibration accuracy of retrieval-based span prediction models and answer generation models. Here again, our approach shows consistent gains over calibrators relying on the model confidence. Our simple and efficient calibrator can be easily adapted to many tasks and model architectures, showing robust gains in all settings.

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arXiv2021

AttentiveNAS: Improving Neural Architecture Search via Attentive Sampling

Neural architecture search (NAS) has shown great promise in designing state-of-the-art (SOTA) models that are both accurate and efficient. Recently, two-stage NAS, e.g. BigNAS, decouples the model training and searching process and achieves remarkable search efficiency and accuracy. Two-stage NAS requires sampling from the search space during training, which directly impacts the accuracy of the final searched models. While uniform sampling has been widely used for its simplicity, it is agnostic of the model performance Pareto front, which is the main focus in the search process, and thus, misses opportunities to further improve the model accuracy. In this work, we propose AttentiveNAS that focuses on improving the sampling strategy to achieve better performance Pareto. We also propose algorithms to efficiently and effectively identify the networks on the Pareto during training. Without extra re-training or post-processing, we can simultaneously obtain a large number of networks across a wide range of FLOPs. Our discovered model family, AttentiveNAS models, achieves top-1 accuracy from 77.3% to 80.7% on ImageNet, and outperforms SOTA models, including BigNAS and Once-for-All networks. We also achieve ImageNet accuracy of 80.1% with only 491 MFLOPs. Our training code and pretrained models are available at https://github.com/facebookresearch/AttentiveNAS.

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arXiv2021

Capturing Label Distribution: A Case Study in NLI

We study estimating inherent human disagreement (annotation label distribution) in natural language inference task. Post-hoc smoothing of the predicted label distribution to match the expected label entropy is very effective. Such simple manipulation can reduce KL divergence by almost half, yet will not improve majority label prediction accuracy or learn label distributions. To this end, we introduce a small amount of examples with multiple references into training. We depart from the standard practice of collecting a single reference per each training example, and find that collecting multiple references can achieve better accuracy under the fixed annotation budget. Lastly, we provide rich analyses comparing these two methods for improving label distribution estimation.

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arXiv2020

KeepAugment: A Simple Information-Preserving Data Augmentation Approach

Data augmentation (DA) is an essential technique for training state-of-the-art deep learning systems. In this paper, we empirically show data augmentation might introduce noisy augmented examples and consequently hurt the performance on unaugmented data during inference. To alleviate this issue, we propose a simple yet highly effective approach, dubbed \emph{KeepAugment}, to increase augmented images fidelity. The idea is first to use the saliency map to detect important regions on the original images and then preserve these informative regions during augmentation. This information-preserving strategy allows us to generate more faithful training examples. Empirically, we demonstrate our method significantly improves on a number of prior art data augmentation schemes, e.g. AutoAugment, Cutout, random erasing, achieving promising results on image classification, semi-supervised image classification, multi-view multi-camera tracking and object detection.

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arXiv2020

AlphaMatch: Improving Consistency for Semi-supervised Learning with Alpha-divergence

Semi-supervised learning (SSL) is a key approach toward more data-efficient machine learning by jointly leverage both labeled and unlabeled data. We propose AlphaMatch, an efficient SSL method that leverages data augmentations, by efficiently enforcing the label consistency between the data points and the augmented data derived from them. Our key technical contribution lies on: 1) using alpha-divergence to prioritize the regularization on data with high confidence, achieving a similar effect as FixMatch but in a more flexible fashion, and 2) proposing an optimization-based, EM-like algorithm to enforce the consistency, which enjoys better convergence than iterative regularization procedures used in recent SSL methods such as FixMatch, UDA, and MixMatch. AlphaMatch is simple and easy to implement, and consistently outperforms prior arts on standard benchmarks, e.g. CIFAR-10, SVHN, CIFAR-100, STL-10. Specifically, we achieve 91.3% test accuracy on CIFAR-10 with just 4 labelled data per class, substantially improving over the previously best 88.7% accuracy achieved by FixMatch.

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arXiv2020

Black-Box Certification with Randomized Smoothing: A Functional Optimization Based Framework

Randomized classifiers have been shown to provide a promising approach for achieving certified robustness against adversarial attacks in deep learning. However, most existing methods only leverage Gaussian smoothing noise and only work for $\ell_2$ perturbation. We propose a general framework of adversarial certification with non-Gaussian noise and for more general types of attacks, from a unified functional optimization perspective. Our new framework allows us to identify a key trade-off between accuracy and robustness via designing smoothing distributions, helping to design new families of non-Gaussian smoothing distributions that work more efficiently for different $\ell_p$ settings, including $\ell_1$, $\ell_2$ and $\ell_\infty$ attacks. Our proposed methods achieve better certification results than previous works and provide a new perspective on randomized smoothing certification.

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arXiv2020

Good Subnetworks Provably Exist: Pruning via Greedy Forward Selection

Recent empirical works show that large deep neural networks are often highly redundant and one can find much smaller subnetworks without a significant drop of accuracy. However, most existing methods of network pruning are empirical and heuristic, leaving it open whether good subnetworks provably exist, how to find them efficiently, and if network pruning can be provably better than direct training using gradient descent. We answer these problems positively by proposing a simple greedy selection approach for finding good subnetworks, which starts from an empty network and greedily adds important neurons from the large network. This differs from the existing methods based on backward elimination, which remove redundant neurons from the large network. Theoretically, applying the greedy selection strategy on sufficiently large {pre-trained} networks guarantees to find small subnetworks with lower loss than networks directly trained with gradient descent. Our results also apply to pruning randomly weighted networks. Practically, we improve prior arts of network pruning on learning compact neural architectures on ImageNet, including ResNet, MobilenetV2/V3, and ProxylessNet. Our theory and empirical results on MobileNet suggest that we should fine-tune the pruned subnetworks to leverage the information from the large model, instead of re-training from new random initialization as suggested in \citet{liu2018rethinking}.

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arXiv2020

SAFER: A Structure-free Approach for Certified Robustness to Adversarial Word Substitutions

State-of-the-art NLP models can often be fooled by human-unaware transformations such as synonymous word substitution. For security reasons, it is of critical importance to develop models with certified robustness that can provably guarantee that the prediction is can not be altered by any possible synonymous word substitution. In this work, we propose a certified robust method based on a new randomized smoothing technique, which constructs a stochastic ensemble by applying random word substitutions on the input sentences, and leverage the statistical properties of the ensemble to provably certify the robustness. Our method is simple and structure-free in that it only requires the black-box queries of the model outputs, and hence can be applied to any pre-trained models (such as BERT) and any types of models (world-level or subword-level). Our method significantly outperforms recent state-of-the-art methods for certified robustness on both IMDB and Amazon text classification tasks. To the best of our knowledge, we are the first work to achieve certified robustness on large systems such as BERT with practically meaningful certified accuracy.

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arXiv2020

FRAGE: Frequency-Agnostic Word Representation

Continuous word representation (aka word embedding) is a basic building block in many neural network-based models used in natural language processing tasks. Although it is widely accepted that words with similar semantics should be close to each other in the embedding space, we find that word embeddings learned in several tasks are biased towards word frequency: the embeddings of high-frequency and low-frequency words lie in different subregions of the embedding space, and the embedding of a rare word and a popular word can be far from each other even if they are semantically similar. This makes learned word embeddings ineffective, especially for rare words, and consequently limits the performance of these neural network models. In this paper, we develop a neat, simple yet effective way to learn \emph{FRequency-AGnostic word Embedding} (FRAGE) using adversarial training. We conducted comprehensive studies on ten datasets across four natural language processing tasks, including word similarity, language modeling, machine translation and text classification. Results show that with FRAGE, we achieve higher performance than the baselines in all tasks.

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arXiv2020

MaxUp: A Simple Way to Improve Generalization of Neural Network Training

We propose \emph{MaxUp}, an embarrassingly simple, highly effective technique for improving the generalization performance of machine learning models, especially deep neural networks. The idea is to generate a set of augmented data with some random perturbations or transforms and minimize the maximum, or worst case loss over the augmented data. By doing so, we implicitly introduce a smoothness or robustness regularization against the random perturbations, and hence improve the generation performance. For example, in the case of Gaussian perturbation, \emph{MaxUp} is asymptotically equivalent to using the gradient norm of the loss as a penalty to encourage smoothness. We test \emph{MaxUp} on a range of tasks, including image classification, language modeling, and adversarial certification, on which \emph{MaxUp} consistently outperforms the existing best baseline methods, without introducing substantial computational overhead. In particular, we improve ImageNet classification from the state-of-the-art top-1 accuracy $85.5\%$ without extra data to $85.8\%$. Code will be released soon.

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arXiv2019

Improving Neural Language Modeling via Adversarial Training

Recently, substantial progress has been made in language modeling by using deep neural networks. However, in practice, large scale neural language models have been shown to be prone to overfitting. In this paper, we present a simple yet highly effective adversarial training mechanism for regularizing neural language models. The idea is to introduce adversarial noise to the output embedding layer while training the models. We show that the optimal adversarial noise yields a simple closed-form solution, thus allowing us to develop a simple and time efficient algorithm. Theoretically, we show that our adversarial mechanism effectively encourages the diversity of the embedding vectors, helping to increase the robustness of models. Empirically, we show that our method improves on the single model state-of-the-art results for language modeling on Penn Treebank (PTB) and Wikitext-2, achieving test perplexity scores of 46.01 and 38.07, respectively. When applied to machine translation, our method improves over various transformer-based translation baselines in BLEU scores on the WMT14 English-German and IWSLT14 German-English tasks.

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arXiv2018

Sentence-wise Smooth Regularization for Sequence to Sequence Learning

Maximum-likelihood estimation (MLE) is widely used in sequence to sequence tasks for model training. It uniformly treats the generation/prediction of each target token as multi-class classification, and yields non-smooth prediction probabilities: in a target sequence, some tokens are predicted with small probabilities while other tokens are with large probabilities. According to our empirical study, we find that the non-smoothness of the probabilities results in low quality of generated sequences. In this paper, we propose a sentence-wise regularization method which aims to output smooth prediction probabilities for all the tokens in the target sequence. Our proposed method can automatically adjust the weights and gradients of each token in one sentence to ensure the predictions in a sequence uniformly well. Experiments on three neural machine translation tasks and one text summarization task show that our method outperforms conventional MLE loss on all these tasks and achieves promising BLEU scores on WMT14 English-German and WMT17 Chinese-English translation task.

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