OpenRaiser/Intern-Atlas huggingface dataset:
Knowledge Consolidation based Class Incremental Online Learning with Limited Data
Venue: Conference IJCAI 2021
Year: 2021

We propose a novel approach for class incremental online learning in a limited data setting. This problem setting is challenging because of the following constraints: (1) Classes are given incrementally, which necessitates a class incremental learning approach; (2) Data for each class is given in an online fashion, i.e., each training example is seen only once during training; (3) Each class has very few training examples; and (4) We do not use or assume access to any replay/memory to store data from previous classes. Therefore, in this setting, we have to handle twofold problems of catastrophic forgetting and overfitting. In our approach, we learn robust representations that are generalizable across tasks without suffering from the problems of catastrophic forgetting and overfitting to accommodate future classes with limited samples. Our proposed method leverages the meta-learning framework with knowledge consolidation. The meta-learning framework helps the model for rapid learning when samples appear in an online fashion. Simultaneously, knowledge consolidation helps to learn a robust representation against forgetting under online updates to facilitate future learning. Our approach significantly outperforms other methods on several benchmarks.
Comparing Kullback-Leibler Divergence and Mean Squared Error Loss in Knowledge Distillation
Venue: Conference IJCAI 2021
Year: 2021

Knowledge distillation (KD), transferring knowledge from a cumbersome teacher model to a lightweight student model, has been investigated to design efficient neural architectures. Generally, the objective function of KD is the Kullback-Leibler (KL) divergence loss between the softened probability distributions of the teacher model and the student model with the temperature scaling hyperparameter tau. Despite its widespread use, few studies have discussed the influence of such softening on generalization. Here, we theoretically show that the KL divergence loss focuses on the logit matching when tau increases and the label matching when tau goes to 0 and empirically show that the logit matching is positively correlated to performance improvement in general. From this observation, we consider an intuitive KD loss function, the mean squared error (MSE) between the logit vectors, so that the student model can directly learn the logit of the teacher model. The MSE loss outperforms the KL divergence loss, explained by the difference in the penultimate layer representations between the two losses. Furthermore, we show that sequential distillation can improve performance and that KD, particularly when using the KL divergence loss with small tau, mitigates the label noise. The code to reproduce the experiments is publicly available online at https://github.com/jhoon-oh/kd_data/.
Solving Continuous Control with Episodic Memory
Venue: Conference IJCAI 2021
Year: 2021

Episodic memory lets reinforcement learning algorithms remember and exploit promising experience from the past to improve agent performance. Previous works on memory mechanisms show benefits of using episodic-based data structures for discrete action problems in terms of sample-efficiency. The application of episodic memory for continuous control with a large action space is not trivial. Our study aims to answer the question: can episodic memory be used to improve agent's performance in continuous control? Our proposed algorithm combines episodic memory with Actor-Critic architecture by modifying critic's objective. We further improve performance by introducing episodic-based replay buffer prioritization. We evaluate our algorithm on OpenAI gym domains and show greater sample-efficiency compared with the state-of-the art model-free off-policy algorithms.
On Guaranteed Optimal Robust Explanations for NLP Models
Venue: Conference IJCAI 2021
Year: 2021

We build on abduction-based explanations for ma-chine learning and develop a method for computing local explanations for neural network models in natural language processing (NLP). Our explanations comprise a subset of the words of the in-put text that satisfies two key features: optimality w.r.t. a user-defined cost function, such as the length of explanation, and robustness, in that they ensure prediction invariance for any bounded perturbation in the embedding space of the left out words. We present two solution algorithms, respectively based on implicit hitting sets and maximum universal subsets, introducing a number of algorithmic improvements to speed up convergence of hard instances. We show how our method can be con-figured with different perturbation sets in the em-bedded space and used to detect bias in predictions by enforcing include/exclude constraints on biased terms, as well as to enhance existing heuristic-based NLP explanation frameworks such as Anchors. We evaluate our framework on three widely used sentiment analysis tasks and texts of up to100words from SST, Twitter and IMDB datasets,demonstrating the effectiveness of the derived explanations.
RetCL: A Selection-based Approach for Retrosynthesis via Contrastive Learning
Venue: Conference IJCAI 2021
Year: 2021

Retrosynthesis, of which the goal is to find a set of reactants for synthesizing a target product, is an emerging research area of deep learning. While the existing approaches have shown promising results, they currently lack the ability to consider availability (e.g., stability or purchasability) of the reactants or generalize to unseen reaction templates (i.e., chemical reaction rules). In this paper, we propose a new approach that mitigates the issues by reformulating retrosynthesis into a selection problem of reactants from a candidate set of commercially available molecules. To this end, we design an efficient reactant selection framework, named RetCL (retrosynthesis via contrastive learning), for enumerating all of the candidate molecules based on selection scores computed by graph neural networks. For learning the score functions, we also propose a novel contrastive training scheme with hard negative mining. Extensive experiments demonstrate the benefits of the proposed selection-based approach. For example, when all 671k reactants in the USPTO {database} are given as candidates, our RetCL achieves top-1 exact match accuracy of $71.3\%$ for the USPTO-50k benchmark, while a recent transformer-based approach achieves $59.6\%$. We also demonstrate that RetCL generalizes well to unseen templates in various settings in contrast to template-based approaches.
Pairwise Half-graph Discrimination: A Simple Graph-level Self-supervised Strategy for Pre-training Graph Neural Networks
Venue: Conference IJCAI 2021
Year: 2021

Self-supervised learning has gradually emerged as a powerful technique for graph representation learning. However, transferable, generalizable, and robust representation learning on graph data still remains a challenge for pre-training graph neural networks. In this paper, we propose a simple and effective self-supervised pre-training strategy, named Pairwise Half-graph Discrimination (PHD), that explicitly pre-trains a graph neural network at graph-level. PHD is designed as a simple binary classification task to discriminate whether two half-graphs come from the same source. Experiments demonstrate that the PHD is an effective pre-training strategy that offers comparable or superior performance on 13 graph classification tasks compared with state-of-the-art strategies, and achieves notable improvements when combined with node-level strategies. Moreover, the visualization of learned representation revealed that PHD strategy indeed empowers the model to learn graph-level knowledge like the molecular scaffold. These results have established PHD as a powerful and effective self-supervised learning strategy in graph-level representation learning.
Two-stage Training for Learning from Label Proportions
Venue: Conference IJCAI 2021
Year: 2021

Learning from label proportions (LLP) aims at learning an instance-level classifier with label proportions in grouped training data. Existing deep learning based LLP methods utilize end-to-end pipelines to obtain the proportional loss with Kullback-Leibler divergence between the bag-level prior and posterior class distributions. However, the unconstrained optimization on this objective can hardly reach a solution in accordance with the given proportions. Besides, concerning the probabilistic classifier, this strategy unavoidably results in high-entropy conditional class distributions at the instance level. These issues further degrade the performance of the instance-level classification. In this paper, we regard these problems as noisy pseudo labeling, and instead impose the strict proportion consistency on the classifier with a constrained optimization as a continuous training stage for existing LLP classifiers. In addition, we introduce the mixup strategy and symmetric crossentropy to further reduce the label noise. Our framework is model-agnostic, and demonstrates compelling performance improvement in extensive experiments, when incorporated into other deep LLP models as a post-hoc phase.
Smart Contract Vulnerability Detection: From Pure Neural Network to Interpretable Graph Feature and Expert Pattern Fusion
Venue: Conference IJCAI 2021
Year: 2021

Smart contracts hold digital coins worth billions of dollars, their security issues have drawn extensive attention in the past years. Towards smart contract vulnerability detection, conventional methods heavily rely on fixed expert rules, leading to low accuracy and poor scalability. Recent deep learning approaches alleviate this issue but fail to encode useful expert knowledge. In this paper, we explore combining deep learning with expert patterns in an explainable fashion. Specifically, we develop automatic tools to extract expert patterns from the source code. We then cast the code into a semantic graph to extract deep graph features. Thereafter, the global graph feature and local expert patterns are fused to cooperate and approach the final prediction, while yielding their interpretable weights. Experiments are conducted on all available smart contracts with source code in two platforms, Ethereum and VNT Chain. Empirically, our system significantly outperforms state-of-the-art methods. Our code is released.
Graph Entropy Guided Node Embedding Dimension Selection for Graph Neural Networks
Venue: Conference IJCAI 2021
Year: 2021

Graph representation learning has achieved great success in many areas, including e-commerce, chemistry, biology, etc. However, the fundamental problem of choosing the appropriate dimension of node embedding for a given graph still remains unsolved. The commonly used strategies for Node Embedding Dimension Selection (NEDS) based on grid search or empirical knowledge suffer from heavy computation and poor model performance. In this paper, we revisit NEDS from the perspective of minimum entropy principle. Subsequently, we propose a novel Minimum Graph Entropy (MinGE) algorithm for NEDS with graph data. To be specific, MinGE considers both feature entropy and structure entropy on graphs, which are carefully designed according to the characteristics of the rich information in them. The feature entropy, which assumes the embeddings of adjacent nodes to be more similar, connects node features and link topology on graphs. The structure entropy takes the normalized degree as basic unit to further measure the higher-order structure of graphs. Based on them, we design MinGE to directly calculate the ideal node embedding dimension for any graph. Finally, comprehensive experiments with popular Graph Neural Networks (GNNs) on benchmark datasets demonstrate the effectiveness and generalizability of our proposed MinGE.
Stochastic Actor-Executor-Critic for Image-to-Image Translation
Venue: Conference IJCAI 2021
Year: 2021

Training a model-free deep reinforcement learning model to solve image-to-image translation is difficult since it involves high-dimensional continuous state and action spaces. In this paper, we draw inspiration from the recent success of the maximum entropy reinforcement learning framework designed for challenging continuous control problems to develop stochastic policies over high dimensional continuous spaces including image representation, generation, and control simultaneously. Central to this method is the Stochastic Actor-Executor-Critic (SAEC) which is an off-policy actor-critic model with an additional executor to generate realistic images. Specifically, the actor focuses on the high-level representation and control policy by a stochastic latent action, as well as explicitly directs the executor to generate low-level actions to manipulate the state. Experiments on several image-to-image translation tasks have demonstrated the effectiveness and robustness of the proposed SAEC when facing high-dimensional continuous space problems.
Average-Reward Reinforcement Learning with Trust Region Methods
Venue: Conference IJCAI 2021
Year: 2021

Most of reinforcement learning algorithms optimize the discounted criterion which is beneficial to accelerate the convergence and reduce the variance of estimates. Although the discounted criterion is appropriate for certain tasks such as financial related problems, many engineering problems treat future rewards equally and prefer a long-run average criterion. In this paper, we study the reinforcement learning problem with the long-run average criterion. Firstly, we develop a unified trust region theory with discounted and average criteria and derive a novel performance bound within the trust region with the Perturbation Analysis (PA) theory. Secondly, we propose a practical algorithm named Average Policy Optimization (APO), which improves the value estimation with a novel technique named Average Value Constraint. Finally, experiments are conducted in the continuous control environment MuJoCo. In most tasks, APO performs better than the discounted PPO, which demonstrates the effectiveness of our approach. Our work provides a unified framework of the trust region approach including both the discounted and average criteria, which may complement the framework of reinforcement learning beyond the discounted objectives.
Temporal and Object Quantification Networks
Venue: Conference IJCAI 2021
Year: 2021

We present Temporal and Object Quantification Networks (TOQ-Nets), a new class of neuro-symbolic networks with a structural bias that enables them to learn to recognize complex relational-temporal events. This is done by including reasoning layers that implement finite-domain quantification over objects and time. The structure allows them to generalize directly to input instances with varying numbers of objects in temporal sequences of varying lengths. We evaluate TOQ-Nets on input domains that require recognizing event-types in terms of complex temporal relational patterns. We demonstrate that TOQ-Nets can generalize from small amounts of data to scenarios containing more objects than were present during training and to temporal warpings of input sequences.
Evaluating Relaxations of Logic for Neural Networks: A Comprehensive Study
Venue: Conference IJCAI 2021
Year: 2021

Symbolic knowledge can provide crucial inductive bias for training neural models, especially in low data regimes. A successful strategy for incorporating such knowledge involves relaxing logical statements into sub-differentiable losses for optimization. In this paper, we study the question of how best to relax logical expressions that represent labeled examples and knowledge about a problem; we focus on sub-differentiable t-norm relaxations of logic. We present theoretical and empirical criteria for characterizing which relaxation would perform best in various scenarios. In our theoretical study driven by the goal of preserving tautologies, the Lukasiewicz t-norm performs best. However, in our empirical analysis on the text chunking and digit recognition tasks, the product t-norm achieves best predictive performance. We analyze this apparent discrepancy, and conclude with a list of best practices for defining loss functions via logic.
Contrastive Losses and Solution Caching for Predict-and-Optimize
Venue: Conference IJCAI 2021
Year: 2021

Many decision-making processes involve solving a combinatorial optimization problem with uncertain input that can be estimated from historic data. Recently, problems in this class have been successfully addressed via end-to-end learning approaches, which rely on solving one optimization problem for each training instance at every epoch. In this context, we provide two distinct contributions. First, we use a Noise Contrastive approach to motivate a family of surrogate loss functions, based on viewing non-optimal solutions as negative examples. Second, we address a major bottleneck of all predict-and-optimize approaches, i.e. the need to frequently recompute optimal solutions at training time. This is done via a solver-agnostic solution caching scheme, and by replacing optimization calls with a lookup in the solution cache. The method is formally based on an inner approximation of the feasible space and, combined with a cache lookup strategy, provides a controllable trade-off between training time and accuracy of the loss approximation. We empirically show that even a very slow growth rate is enough to match the quality of state-of-the-art methods, at a fraction of the computational cost.
Fine-grained Generalization Analysis of Structured Output Prediction
Venue: Conference IJCAI 2021
Year: 2021

In machine learning we often encounter structured output prediction problems (SOPPs), i.e. problems where the output space admits a rich internal structure. Application domains where SOPPs naturally occur include natural language processing, speech recognition, and computer vision. Typical SOPPs have an extremely large label set, which grows exponentially as a function of the size of the output. Existing generalization analysis implies generalization bounds with at least a square-root dependency on the cardinality $d$ of the label set, which can be vacuous in practice. In this paper, we significantly improve the state of the art by developing novel high-probability bounds with a logarithmic dependency on $d$. Moreover, we leverage the lens of algorithmic stability to develop generalization bounds in expectation without any dependency on $d$. Our results therefore build a solid theoretical foundation for learning in large-scale SOPPs. Furthermore, we extend our results to learning with weakly dependent data.
Accelerating Neural Architecture Search via Proxy Data
Venue: Conference IJCAI 2021
Year: 2021

Despite the increasing interest in neural architecture search (NAS), the significant computational cost of NAS is a hindrance to researchers. Hence, we propose to reduce the cost of NAS using proxy data, i.e., a representative subset of the target data, without sacrificing search performance. Even though data selection has been used across various fields, our evaluation of existing selection methods for NAS algorithms offered by NAS-Bench-1shot1 reveals that they are not always appropriate for NAS and a new selection method is necessary. By analyzing proxy data constructed using various selection methods through data entropy, we propose a novel proxy data selection method tailored for NAS. To empirically demonstrate the effectiveness, we conduct thorough experiments across diverse datasets, search spaces, and NAS algorithms. Consequently, NAS algorithms with the proposed selection discover architectures that are competitive with those obtained using the entire dataset. It significantly reduces the search cost: executing DARTS with the proposed selection requires only 40 minutes on CIFAR-10 and 7.5 hours on ImageNet with a single GPU. Additionally, when the architecture searched on ImageNet using the proposed selection is inversely transferred to CIFAR-10, a state-of-the-art test error of 2.4\% is yielded. Our code is available at https://github.com/nabk89/NAS-with-Proxy-data.
Learning Embeddings from Knowledge Graphs With Numeric Edge Attributes
Venue: Conference IJCAI 2021
Year: 2021

Numeric values associated to edges of a knowledge graph have been used to represent uncertainty, edge importance, and even out-of-band knowledge in a growing number of scenarios, ranging from genetic data to social networks. Nevertheless, traditional knowledge graph embedding models are not designed to capture such information, to the detriment of predictive power. We propose a novel method that injects numeric edge attributes into the scoring layer of a traditional knowledge graph embedding architecture. Experiments with publicly available numeric-enriched knowledge graphs show that our method outperforms traditional numeric-unaware baselines as well as the recent UKGE model.
Meta-Reinforcement Learning by Tracking Task Non-stationarity
Venue: Conference IJCAI 2021
Year: 2021

Many real-world domains are subject to a structured non-stationarity which affects the agent's goals and the environmental dynamics. Meta-reinforcement learning (RL) has been shown successful for training agents that quickly adapt to related tasks. However, most of the existing meta-RL algorithms for non-stationary domains either make strong assumptions on the task generation process or require sampling from it at training time. In this paper, we propose a novel algorithm (TRIO) that optimizes for the future by explicitly tracking the task evolution through time. At training time, TRIO learns a variational module to quickly identify latent parameters from experience samples. This module is learned jointly with an optimal exploration policy that takes task uncertainty into account. At test time, TRIO tracks the evolution of the latent parameters online, hence reducing the uncertainty over future tasks and obtaining fast adaptation through the meta-learned policy. Unlike most existing methods, TRIO does not assume Markovian task-evolution processes, it does not require information about the non-stationarity at training time, and it captures complex changes undergoing in the environment. We evaluate our algorithm on different simulated problems and show it outperforms competitive baselines.
Multi-version Tensor Completion for Time-delayed Spatio-temporal Data
Venue: Conference IJCAI 2021
Year: 2021

Real-world spatio-temporal data is often incomplete or inaccurate due to various data loading delays. For example, a location-disease-time tensor of case counts can have multiple delayed updates of recent temporal slices for some locations or diseases. Recovering such missing or noisy (under-reported) elements of the input tensor can be viewed as a generalized tensor completion problem. Existing tensor completion methods usually assume that i) missing elements are randomly distributed and ii) noise for each tensor element is i.i.d. zero-mean. Both assumptions can be violated for spatio-temporal tensor data. We often observe multiple versions of the input tensor with different under-reporting noise levels. The amount of noise can be time- or location-dependent as more updates are progressively introduced to the tensor. We model such dynamic data as a multi-version tensor with an extra tensor mode capturing the data updates. We propose a low-rank tensor model to predict the updates over time. We demonstrate that our method can accurately predict the ground-truth values of many real-world tensors. We obtain up to 27.2% lower root mean-squared-error compared to the best baseline method. Finally, we extend our method to track the tensor data over time, leading to significant computational savings.