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In this work, we investigate a method for simulation-free training of Neural Ordinary Differential Equations (NODEs) for learning deterministic mappings between paired data. Despite the analogy of NODEs as continuous-depth residual networks, their application in typical supervised learning tasks has not been popular, mainly due to the large number of function evaluations required by ODE solvers and numerical instability in gradient estimation. To alleviate this problem, we employ the flow matching framework for simulation-free training of NODEs, which directly regresses the parameterized dynamics function to a predefined target velocity field. Contrary to generative tasks, however, we show that applying flow matching directly between paired data can often lead to an ill-defined flow that breaks the coupling of the data pairs (e.g., due to crossing trajectories). We propose a simple extension that applies flow matching in the embedding space of data pairs, where the embeddings are learned jointly with the dynamic function to ensure the validity of the flow which is also easier to learn. We demonstrate the effectiveness of our method on both regression and classification tasks, where our method outperforms existing NODEs with a significantly lower number of function evaluations. The code is available at https://github.com/seminkim/simulation-free-node.

We propose a text-to-image generation algorithm based on deep neural networks when text captions for images are unavailable during training. In this work, instead of simply generating pseudo-ground-truth sentences of training images using existing image captioning methods, we employ a pretrained CLIP model, which is capable of properly aligning embeddings of images and corresponding texts in a joint space and, consequently, works well on zero-shot recognition tasks. We optimize a text-to-image generation model by maximizing the data log-likelihood conditioned on pairs of image-text CLIP embeddings. To better align data in the two domains, we employ a principled way based on a variational inference, which efficiently estimates an approximate posterior of the hidden text embedding given an image and its CLIP feature. Experimental results validate that the proposed framework outperforms existing approaches by large margins under unsupervised and semi-supervised text-to-image generation settings., Comment: Accepted at CVPR2023

Despite recent advances in implicit neural representations (INRs), it remains challenging for a coordinate-based multi-layer perceptron (MLP) of INRs to learn a common representation across data instances and generalize it for unseen instances. In this work, we introduce a simple yet effective framework for generalizable INRs that enables a coordinate-based MLP to represent complex data instances by modulating only a small set of weights in an early MLP layer as an instance pattern composer; the remaining MLP weights learn pattern composition rules for common representations across instances. Our generalizable INR framework is fully compatible with existing meta-learning and hypernetworks in learning to predict the modulated weight for unseen instances. Extensive experiments demonstrate that our method achieves high performance on a wide range of domains such as an audio, image, and 3D object, while the ablation study validates our weight modulation., Comment: 15 pages, 12 figures, CVPR'23 highlight, the code is available at https://github.com/kakaobrain/ginr-ipc

Although autoregressive models have achieved promising results on image generation, their unidirectional generation process prevents the resultant images from fully reflecting global contexts. To address the issue, we propose an effective image generation framework of Draft-and-Revise with Contextual RQ-transformer to consider global contexts during the generation process. As a generalized VQ-VAE, RQ-VAE first represents a high-resolution image as a sequence of discrete code stacks. After code stacks in the sequence are randomly masked, Contextual RQ-Transformer is trained to infill the masked code stacks based on the unmasked contexts of the image. Then, Contextual RQ-Transformer uses our two-phase decoding, Draft-and-Revise, and generates an image, while exploiting the global contexts of the image during the generation process. Specifically. in the draft phase, our model first focuses on generating diverse images despite rather low quality. Then, in the revise phase, the model iteratively improves the quality of images, while preserving the global contexts of generated images. In experiments, our method achieves state-of-the-art results on conditional image generation. We also validate that the Draft-and-Revise decoding can achieve high performance by effectively controlling the quality-diversity trade-off in image generation., Comment: 20 pages, 11 figures

For autoregressive (AR) modeling of high-resolution images, vector quantization (VQ) represents an image as a sequence of discrete codes. A short sequence length is important for an AR model to reduce its computational costs to consider long-range interactions of codes. However, we postulate that previous VQ cannot shorten the code sequence and generate high-fidelity images together in terms of the rate-distortion trade-off. In this study, we propose the two-stage framework, which consists of Residual-Quantized VAE (RQ-VAE) and RQ-Transformer, to effectively generate high-resolution images. Given a fixed codebook size, RQ-VAE can precisely approximate a feature map of an image and represent the image as a stacked map of discrete codes. Then, RQ-Transformer learns to predict the quantized feature vector at the next position by predicting the next stack of codes. Thanks to the precise approximation of RQ-VAE, we can represent a 256$\times$256 image as 8$\times$8 resolution of the feature map, and RQ-Transformer can efficiently reduce the computational costs. Consequently, our framework outperforms the existing AR models on various benchmarks of unconditional and conditional image generation. Our approach also has a significantly faster sampling speed than previous AR models to generate high-quality images., Comment: 30 pages, 24 figures, accepted by CVPR 2022, the code is available at https://github.com/kakaobrain/rq-vae-transformer

DETR is the first end-to-end object detector using a transformer encoder-decoder architecture and demonstrates competitive performance but low computational efficiency on high resolution feature maps. The subsequent work, Deformable DETR, enhances the efficiency of DETR by replacing dense attention with deformable attention, which achieves 10x faster convergence and improved performance. Deformable DETR uses the multiscale feature to ameliorate performance, however, the number of encoder tokens increases by 20x compared to DETR, and the computation cost of the encoder attention remains a bottleneck. In our preliminary experiment, we observe that the detection performance hardly deteriorates even if only a part of the encoder token is updated. Inspired by this observation, we propose Sparse DETR that selectively updates only the tokens expected to be referenced by the decoder, thus help the model effectively detect objects. In addition, we show that applying an auxiliary detection loss on the selected tokens in the encoder improves the performance while minimizing computational overhead. We validate that Sparse DETR achieves better performance than Deformable DETR even with only 10% encoder tokens on the COCO dataset. Albeit only the encoder tokens are sparsified, the total computation cost decreases by 38% and the frames per second (FPS) increases by 42% compared to Deformable DETR. Code is available at https://github.com/kakaobrain/sparse-detr, Comment: ICLR 2022. Code is available at https://github.com/kakaobrain/sparse-detr

Large-batch training has been essential in leveraging large-scale datasets and models in deep learning. While it is computationally beneficial to use large batch sizes, it often requires a specially designed learning rate (LR) schedule to achieve a comparable level of performance as in smaller batch training. Especially, when the number of training epochs is constrained, the use of a large LR and a warmup strategy is critical in the final performance of large-batch training due to the reduced number of updating steps. In this work, we propose an automated LR scheduling algorithm which is effective for neural network training with a large batch size under the given epoch budget. In specific, the whole schedule consists of two phases: adaptive warmup and predefined decay, where the LR is increased until the training loss no longer decreases and decreased to zero until the end of training. Here, whether the training loss has reached the minimum value is robustly checked with Gaussian process smoothing in an online manner with a low computational burden. Coupled with adaptive stochastic optimizers such as AdamP and LAMB, the proposed scheduler successfully adjusts the LRs without cumbersome hyperparameter tuning and achieves comparable or better performances than tuned baselines on various image classification benchmarks and architectures with a wide range of batch sizes., Comment: 15 pages, 7 figures, 4 tables, 8th ICML Workshop on Automated Machine Learning (2021)

Unsupervised representation learning has recently received lots of interest due to its powerful generalizability through effectively leveraging large-scale unlabeled data. There are two prevalent approaches for this, contrastive learning and generative pre-training, where the former learns representations from instance-wise discrimination tasks and the latter learns them from estimating the likelihood. These seemingly orthogonal approaches have their own strengths and weaknesses. Contrastive learning tends to extract semantic information and discards details irrelevant for classifying objects, making the representations effective for discriminative tasks while degrading robustness to out-of-distribution data. On the other hand, the generative pre-training directly estimates the data distribution, so the representations tend to be robust but not optimal for discriminative tasks. In this paper, we show that we could achieve the best of both worlds by a hybrid training scheme. Specifically, we demonstrated that a transformer-based encoder-decoder architecture trained with both contrastive and generative losses can learn highly discriminative and robust representations without hurting the generative performance. We extensively validate our approach on various tasks., Comment: 15 pages, 8 figures

While tasks could come with varying the number of instances and classes in realistic settings, the existing meta-learning approaches for few-shot classification assume that the number of instances per task and class is fixed. Due to such restriction, they learn to equally utilize the meta-knowledge across all the tasks, even when the number of instances per task and class largely varies. Moreover, they do not consider distributional difference in unseen tasks, on which the meta-knowledge may have less usefulness depending on the task relatedness. To overcome these limitations, we propose a novel meta-learning model that adaptively balances the effect of the meta-learning and task-specific learning within each task. Through the learning of the balancing variables, we can decide whether to obtain a solution by relying on the meta-knowledge or task-specific learning. We formulate this objective into a Bayesian inference framework and tackle it using variational inference. We validate our Bayesian Task-Adaptive Meta-Learning (Bayesian TAML) on multiple realistic task- and class-imbalanced datasets, on which it significantly outperforms existing meta-learning approaches. Further ablation study confirms the effectiveness of each balancing component and the Bayesian learning framework.

We propose a practical Bayesian optimization method over sets, to minimize a black-box function that takes a set as a single input. Because set inputs are permutation-invariant, traditional Gaussian process-based Bayesian optimization strategies which assume vector inputs can fall short. To address this, we develop a Bayesian optimization method with \emph{set kernel} that is used to build surrogate functions. This kernel accumulates similarity over set elements to enforce permutation-invariance, but this comes at a greater computational cost. To reduce this burden, we propose two key components: (i) a more efficient approximate set kernel which is still positive-definite and is an unbiased estimator of the true set kernel with upper-bounded variance in terms of the number of subsamples, (ii) a constrained acquisition function optimization over sets, which uses symmetry of the feasible region that defines a set input. Finally, we present several numerical experiments which demonstrate that our method outperforms other methods., Comment: 18 pages, 7 figures, 5 tables, accepted for publication in Machine Learning Journal

A meta-model is trained on a distribution of similar tasks such that it learns an algorithm that can quickly adapt to a novel task with only a handful of labeled examples. Most of current meta-learning methods assume that the meta-training set consists of relevant tasks sampled from a single distribution. In practice, however, a new task is often out of the task distribution, yielding a performance degradation. One way to tackle this problem is to construct an ensemble of meta-learners such that each meta-learner is trained on different task distribution. In this paper we present a method for constructing a mixture of meta-learners (MxML), where mixing parameters are determined by the weight prediction network (WPN) optimized to improve the few-shot classification performance. Experiments on various datasets demonstrate that MxML significantly outperforms state-of-the-art meta-learners, or their naive ensemble in the case of out-of-distribution as well as in-distribution tasks., Comment: 12 pages

While recent continual learning methods largely alleviate the catastrophic problem on toy-sized datasets, some issues remain to be tackled to apply them to real-world problem domains. First, a continual learning model should effectively handle catastrophic forgetting and be efficient to train even with a large number of tasks. Secondly, it needs to tackle the problem of order-sensitivity, where the performance of the tasks largely varies based on the order of the task arrival sequence, as it may cause serious problems where fairness plays a critical role (e.g. medical diagnosis). To tackle these practical challenges, we propose a novel continual learning method that is scalable as well as order-robust, which instead of learning a completely shared set of weights, represents the parameters for each task as a sum of task-shared and sparse task-adaptive parameters. With our Additive Parameter Decomposition (APD), the task-adaptive parameters for earlier tasks remain mostly unaffected, where we update them only to reflect the changes made to the task-shared parameters. This decomposition of parameters effectively prevents catastrophic forgetting and order-sensitivity, while being computation- and memory-efficient. Further, we can achieve even better scalability with APD using hierarchical knowledge consolidation, which clusters the task-adaptive parameters to obtain hierarchically shared parameters. We validate our network with APD, APD-Net, on multiple benchmark datasets against state-of-the-art continual learning methods, which it largely outperforms in accuracy, scalability, and order-robustness., Comment: Published in "International Conference on Learning Representation (ICLR)" 2020

We present a personalized and reliable prediction model for healthcare, which can provide individually tailored medical services such as diagnosis, disease treatment, and prevention. Our proposed framework targets at making personalized and reliable predictions from time-series data, such as Electronic Health Records (EHR), by modeling two complementary components: i) a shared component that captures global trend across diverse patients and ii) a patient-specific component that models idiosyncratic variability for each patient. To this end, we propose a composite model of a deep neural network to learn complex global trends from the large number of patients, and Gaussian Processes (GP) to probabilistically model individual time-series given relatively small number of visits per patient. We evaluate our model on diverse and heterogeneous tasks from EHR datasets and show practical advantages over standard time-series deep models such as pure Recurrent Neural Network (RNN)., Comment: AAAI 2020

While variational dropout approaches have been shown to be effective for network sparsification, they are still suboptimal in the sense that they set the dropout rate for each neuron without consideration of the input data. With such input-independent dropout, each neuron is evolved to be generic across inputs, which makes it difficult to sparsify networks without accuracy loss. To overcome this limitation, we propose adaptive variational dropout whose probabilities are drawn from sparsity-inducing beta Bernoulli prior. It allows each neuron to be evolved either to be generic or specific for certain inputs, or dropped altogether. Such input-adaptive sparsity-inducing dropout allows the resulting network to tolerate larger degree of sparsity without losing its expressive power by removing redundancies among features. We validate our dependent variational beta-Bernoulli dropout on multiple public datasets, on which it obtains significantly more compact networks than baseline methods, with consistent accuracy improvements over the base networks.

The goal of few-shot learning is to learn a classifier that generalizes well even when trained with a limited number of training instances per class. The recently introduced meta-learning approaches tackle this problem by learning a generic classifier across a large number of multiclass classification tasks and generalizing the model to a new task. Yet, even with such meta-learning, the low-data problem in the novel classification task still remains. In this paper, we propose Transductive Propagation Network (TPN), a novel meta-learning framework for transductive inference that classifies the entire test set at once to alleviate the low-data problem. Specifically, we propose to learn to propagate labels from labeled instances to unlabeled test instances, by learning a graph construction module that exploits the manifold structure in the data. TPN jointly learns both the parameters of feature embedding and the graph construction in an end-to-end manner. We validate TPN on multiple benchmark datasets, on which it largely outperforms existing few-shot learning approaches and achieves the state-of-the-art results., Comment: Accepted in ICLR 2019; code available at https://github.com/csyanbin/TPN

Attention mechanism is effective in both focusing the deep learning models on relevant features and interpreting them. However, attentions may be unreliable since the networks that generate them are often trained in a weakly-supervised manner. To overcome this limitation, we introduce the notion of input-dependent uncertainty to the attention mechanism, such that it generates attention for each feature with varying degrees of noise based on the given input, to learn larger variance on instances it is uncertain about. We learn this Uncertainty-aware Attention (UA) mechanism using variational inference, and validate it on various risk prediction tasks from electronic health records on which our model significantly outperforms existing attention models. The analysis of the learned attentions shows that our model generates attentions that comply with clinicians' interpretation, and provide richer interpretation via learned variance. Further evaluation of both the accuracy of the uncertainty calibration and the prediction performance with "I don't know" decision show that UA yields networks with high reliability as well.

We propose DropMax, a stochastic version of softmax classifier which at each iteration drops non-target classes according to dropout probabilities adaptively decided for each instance. Specifically, we overlay binary masking variables over class output probabilities, which are input-adaptively learned via variational inference. This stochastic regularization has an effect of building an ensemble classifier out of exponentially many classifiers with different decision boundaries. Moreover, the learning of dropout rates for non-target classes on each instance allows the classifier to focus more on classification against the most confusing classes. We validate our model on multiple public datasets for classification, on which it obtains significantly improved accuracy over the regular softmax classifier and other baselines. Further analysis of the learned dropout probabilities shows that our model indeed selects confusing classes more often when it performs classification.

Hyperparameter optimization aims to find the optimal hyperparameter configuration of a machine learning model, which provides the best performance on a validation dataset. Manual search usually leads to get stuck in a local hyperparameter configuration, and heavily depends on human intuition and experience. A simple alternative of manual search is random/grid search on a space of hyperparameters, which still undergoes extensive evaluations of validation errors in order to find its best configuration. Bayesian optimization that is a global optimization method for black-box functions is now popular for hyperparameter optimization, since it greatly reduces the number of validation error evaluations required, compared to random/grid search. Bayesian optimization generally finds the best hyperparameter configuration from random initialization without any prior knowledge. This motivates us to let Bayesian optimization start from the configurations that were successful on similar datasets, which are able to remarkably minimize the number of evaluations. In this paper, we propose deep metric learning to learn meta-features over datasets such that the similarity over them is effectively measured by Euclidean distance between their associated meta-features. To this end, we introduce a Siamese network composed of deep feature and meta-feature extractors, where deep feature extractor provides a semantic representation of each instance in a dataset and meta-feature extractor aggregates a set of deep features to encode a single representation over a dataset. Then, our learned meta-features are used to select a few datasets similar to the new dataset, so that hyperparameters in similar datasets are adopted as initializations to warm-start Bayesian hyperparameter optimization., Comment: 14 pages, a preliminary version was presented at NIPS 2017 workshop on Bayesian optimization

Locality-sensitive hashing (LSH) is a popular data-independent indexing method for approximate similarity search, where random projections followed by quantization hash the points from the database so as to ensure that the probability of collision is much higher for objects that are close to each other than for those that are far apart. Most of high-dimensional visual descriptors for images exhibit a natural matrix structure. When visual descriptors are represented by high-dimensional feature vectors and long binary codes are assigned, a random projection matrix requires expensive complexities in both space and time. In this paper we analyze a bilinear random projection method where feature matrices are transformed to binary codes by two smaller random projection matrices. We base our theoretical analysis on extending Raginsky and Lazebnik's result where random Fourier features are composed with random binary quantizers to form locality sensitive binary codes. To this end, we answer the following two questions: (1) whether a bilinear random projection also yields similarity-preserving binary codes; (2) whether a bilinear random projection yields performance gain or loss, compared to a large linear projection. Regarding the first question, we present upper and lower bounds on the expected Hamming distance between binary codes produced by bilinear random projections. In regards to the second question, we analyze the upper and lower bounds on covariance between two bits of binary codes, showing that the correlation between two bits is small. Numerical experiments on MNIST and Flickr45K datasets confirm the validity of our method., Comment: 11 pages, 23 figures, CVPR-2015