Model-Augmented Q-learning

In recent years, $Q$-learning has become indispensable for model-free reinforcement learning (MFRL). However, it suffers from well-known problems such as under- and overestimation bias of the value, which may adversely affect the policy learning. To resolve this issue, we propose a MFRL framework that is augmented with the components of model-based RL. Specifically, we propose to estimate not only the $Q$-values but also both the transition and the reward with a shared network. We further utilize the estimated reward from the model estimators for $Q$-learning, which promotes interaction between the estimators. We show that the proposed scheme, called Model-augmented $Q$-learning (MQL), obtains a policy-invariant solution which is identical to the solution obtained by learning with true reward. Finally, we also provide a trick to prioritize past experiences in the replay buffer by utilizing model-estimation errors. We experimentally validate MQL built upon state-of-the-art off-policy MFRL methods, and show that MQL largely improves their performance and convergence. The proposed scheme is simple to implement and does not require additional training cost.

MASKER: Masked Keyword Regularization for Reliable Text Classification

Pre-trained language models have achieved state-of-the-art accuracies on various text classification tasks, e.g., sentiment analysis, natural language inference, and semantic textual similarity. However, the reliability of the fine-tuned text classifiers is an often underlooked performance criterion. For instance, one may desire a model that can detect out-of-distribution (OOD) samples (drawn far from training distribution) or be robust against domain shifts. We claim that one central obstacle to the reliability is the over-reliance of the model on a limited number of keywords, instead of looking at the whole context. In particular, we find that (a) OOD samples often contain in-distribution keywords, while (b) cross-domain samples may not always contain keywords; over-relying on the keywords can be problematic for both cases. In light of this observation, we propose a simple yet effective fine-tuning method, coined masked keyword regularization (MASKER), that facilitates context-based prediction. MASKER regularizes the model to reconstruct the keywords from the rest of the words and make low-confidence predictions without enough context. When applied to various pre-trained language models (e.g., BERT, RoBERTa, and ALBERT), we demonstrate that MASKER improves OOD detection and cross-domain generalization without degrading classification accuracy. Code is available at https://github.com/alinlab/MASKER.

Provable Memorization via Deep Neural Networks using Sub-linear Parameters

It is known that $\Theta(N)$ parameters are sufficient for neural networks to memorize arbitrary $N$ input-label pairs. By exploiting depth, we show that $\Theta(N^{2/3})$ parameters suffice to memorize $N$ pairs, under a mild condition on the separation of input points. In particular, deeper networks (even with width $3$) are shown to memorize more pairs than shallow networks, which also agrees with the recent line of works on the benefits of depth for function approximation. We also provide empirical results that support our theoretical findings.

Trajectory-wise Multiple Choice Learning for Dynamics Generalization in Reinforcement Learning

Model-based reinforcement learning (RL) has shown great potential in various control tasks in terms of both sample-efficiency and final performance. However, learning a generalizable dynamics model robust to changes in dynamics remains a challenge since the target transition dynamics follow a multi-modal distribution. In this paper, we present a new model-based RL algorithm, coined trajectory-wise multiple choice learning, that learns a multi-headed dynamics model for dynamics generalization. The main idea is updating the most accurate prediction head to specialize each head in certain environments with similar dynamics, i.e., clustering environments. Moreover, we incorporate context learning, which encodes dynamics-specific information from past experiences into the context latent vector, enabling the model to perform online adaptation to unseen environments. Finally, to utilize the specialized prediction heads more effectively, we propose an adaptive planning method, which selects the most accurate prediction head over a recent experience. Our method exhibits superior zero-shot generalization performance across a variety of control tasks, compared to state-of-the-art RL methods. Source code and videos are available at https://sites.google.com/view/trajectory-mcl.

i-Mix: A Strategy for Regularizing Contrastive Representation Learning

Contrastive representation learning has shown to be an effective way of learning representations from unlabeled data. However, much progress has been made in vision domains relying on data augmentations carefully designed using domain knowledge. In this work, we propose i-Mix, a simple yet effective regularization strategy for improving contrastive representation learning in both vision and non-vision domains. We cast contrastive learning as training a non-parametric classifier by assigning a unique virtual class to each data in a batch. Then, data instances are mixed in both the input and virtual label spaces, providing more augmented data during training. In experiments, we demonstrate that i-Mix consistently improves the quality of self-supervised representations across domains, resulting in significant performance gains on downstream tasks. Furthermore, we confirm its regularization effect via extensive ablation studies across model and dataset sizes.

A Deeper Look at the Layerwise Sparsity of Magnitude-based Pruning

Recent discoveries on neural network pruning reveal that, with a carefully chosen layerwise sparsity, a simple magnitude-based pruning achieves state-of-the-art tradeoff between sparsity and performance. However, without a clear consensus on "how to choose," the layerwise sparsities are mostly selected algorithm-by-algorithm, often resorting to handcrafted heuristics or an extensive hyperparameter search. To fill this gap, we propose a novel importance score for global pruning, coined layer-adaptive magnitude-based pruning (LAMP) score; the score is a rescaled version of weight magnitude that incorporates the model-level $\ell_2$ distortion incurred by pruning, and does not require any hyperparameter tuning or heavy computation. Under diverse datasets and models, LAMP consistently outperforms popular existing schemes for layerwise sparsity selection. Furthermore, we observe that LAMP continues to outperform baselines even in weight-rewinding setups, while the connectivity-oriented layerwise sparsity (the strongest baseline overall) performs worse than a simple global magnitude-based pruning in this case.

Few-shot Visual Reasoning with Meta-analogical Contrastive Learning

While humans can solve a visual puzzle that requires logical reasoning by observing only few samples, it would require training over large amount of data for state-of-the-art deep reasoning models to obtain similar performance on the same task. In this work, we propose to solve such a few-shot (or low-shot) visual reasoning problem, by resorting to analogical reasoning, which is a unique human ability to identify structural or relational similarity between two sets. Specifically, given training and test sets that contain the same type of visual reasoning problems, we extract the structural relationships between elements in both domains, and enforce them to be as similar as possible with analogical learning. We repeatedly apply this process with slightly modified queries of the same problem under the assumption that it does not affect the relationship between a training and a test sample. This allows to learn the relational similarity between the two samples in an effective manner even with a single pair of samples. We validate our method on RAVEN dataset, on which it outperforms state-of-the-art method, with larger gains when the training data is scarce. We further meta-learn our analogical contrastive learning model over the same tasks with diverse attributes, and show that it generalizes to the same visual reasoning problem with unseen attributes.

Time-Reversal Symmetric ODE Network

Time-reversal symmetry, which requires that the dynamics of a system should not change with the reversal of time axis, is a fundamental property that frequently holds in classical and quantum mechanics. In this paper, we propose a novel loss function that measures how well our ordinary differential equation (ODE) networks comply with this time-reversal symmetry; it is formally defined by the discrepancy in the time evolution of ODE networks between forward and backward dynamics. Then, we design a new framework, which we name as Time-Reversal Symmetric ODE Networks (TRS-ODENs), that can learn the dynamics of physical systems more sample-efficiently by learning with the proposed loss function. We evaluate TRS-ODENs on several classical dynamics, and find they can learn the desired time evolution from observed noisy and complex trajectories. We also show that, even for systems that do not possess the full time-reversal symmetry, TRS-ODENs can achieve better predictive errors over baselines.

Guiding Deep Molecular Optimization with Genetic Exploration

De novo molecular design attempts to search over the chemical space for molecules with the desired property. Recently, deep learning has gained considerable attention as a promising approach to solve the problem. In this paper, we propose genetic expert-guided learning (GEGL), a simple yet novel framework for training a deep neural network (DNN) to generate highly-rewarding molecules. Our main idea is to design a "genetic expert improvement" procedure, which generates high-quality targets for imitation learning of the DNN. Extensive experiments show that GEGL significantly improves over state-of-the-art methods. For example, GEGL manages to solve the penalized octanol-water partition coefficient optimization with a score of 31.82, while the best-known score in the literature is 26.1. Besides, for the GuacaMol benchmark with 20 tasks, our method achieves the highest score for 19 tasks, in comparison with state-of-the-art methods, and newly obtains the perfect score for three tasks.

Distribution Aligning Refinery of Pseudo-label for Imbalanced Semi-supervised Learning

While semi-supervised learning (SSL) has proven to be a promising way for leveraging unlabeled data when labeled data is scarce, the existing SSL algorithms typically assume that training class distributions are balanced. However, these SSL algorithms trained under imbalanced class distributions can severely suffer when generalizing to a balanced testing criterion, since they utilize biased pseudo-labels of unlabeled data toward majority classes. To alleviate this issue, we formulate a convex optimization problem to softly refine the pseudo-labels generated from the biased model, and develop a simple algorithm, named Distribution Aligning Refinery of Pseudo-label (DARP) that solves it provably and efficiently. Under various class-imbalanced semi-supervised scenarios, we demonstrate the effectiveness of DARP and its compatibility with state-of-the-art SSL schemes.