Mingde Zhao

Sitao Luan, Chenqing Hua, Qincheng Lu et al. · mila

Graph Neural Networks (GNNs) extend basic Neural Networks (NNs) by using graph structures based on the relational inductive bias (homophily assumption). While GNNs have been commonly believed to outperform NNs in real-world tasks, recent work has identified a non-trivial set of datasets where their performance compared to NNs is not satisfactory. Heterophily has been considered the main cause of this empirical observation and numerous works have been put forward to address it. In this paper, we first revisit the widely used homophily metrics and point out that their consideration of only graph-label consistency is a shortcoming. Then, we study heterophily from the perspective of post-aggregation node similarity and define new homophily metrics, which are potentially advantageous compared to existing ones. Based on this investigation, we prove that some harmful cases of heterophily can be effectively addressed by local diversification operation. Then, we propose the Adaptive Channel Mixing (ACM), a framework to adaptively exploit aggregation, diversification and identity channels node-wisely to extract richer localized information for diverse node heterophily situations. ACM is more powerful than the commonly used uni-channel framework for node classification tasks on heterophilic graphs and is easy to be implemented in baseline GNN layers. When evaluated on 10 benchmark node classification tasks, ACM-augmented baselines consistently achieve significant performance gain, exceeding state-of-the-art GNNs on most tasks without incurring significant computational burden.

Akram Erraqabi, Marlos C. Machado, Mingde Zhao et al. · meta-ai, mila

In reinforcement learning, the graph Laplacian has proved to be a valuable tool in the task-agnostic setting, with applications ranging from skill discovery to reward shaping. Recently, learning the Laplacian representation has been framed as the optimization of a temporally-contrastive objective to overcome its computational limitations in large (or continuous) state spaces. However, this approach requires uniform access to all states in the state space, overlooking the exploration problem that emerges during the representation learning process. In this work, we propose an alternative method that is able to recover, in a non-uniform-prior setting, the expressiveness and the desired properties of the Laplacian representation. We do so by combining the representation learning with a skill-based covering policy, which provides a better training distribution to extend and refine the representation. We also show that a simple augmentation of the representation objective with the learned temporal abstractions improves dynamics-awareness and helps exploration. We find that our method succeeds as an alternative to the Laplacian in the non-uniform setting and scales to challenging continuous control environments. Finally, even if our method is not optimized for skill discovery, the learned skills can successfully solve difficult continuous navigation tasks with sparse rewards, where standard skill discovery approaches are no so effective.

Sitao Luan, Mingde Zhao, Chenqing Hua et al. · mila

The core operation of current Graph Neural Networks (GNNs) is the aggregation enabled by the graph Laplacian or message passing, which filters the neighborhood information of nodes. Though effective for various tasks, in this paper, we show that they are potentially a problematic factor underlying all GNN models for learning on certain datasets, as they force the node representations similar, making the nodes gradually lose their identity and become indistinguishable. Hence, we augment the aggregation operations with their dual, i.e. diversification operators that make the node more distinct and preserve the identity. Such augmentation replaces the aggregation with a two-channel filtering process that, in theory, is beneficial for enriching the node representations. In practice, the proposed two-channel filters can be easily patched on existing GNN methods with diverse training strategies, including spectral and spatial (message passing) methods. In the experiments, we observe desired characteristics of the models and significant performance boost upon the baselines on 9 node classification tasks.

Mingde Zhao, Safa Alver, Harm van Seijen et al.

Inspired by human conscious planning, we propose Skipper, a model-based reinforcement learning framework utilizing spatio-temporal abstractions to generalize better in novel situations. It automatically decomposes the given task into smaller, more manageable subtasks, and thus enables sparse decision-making and focused computation on the relevant parts of the environment. The decomposition relies on the extraction of an abstracted proxy problem represented as a directed graph, in which vertices and edges are learned end-to-end from hindsight. Our theoretical analyses provide performance guarantees under appropriate assumptions and establish where our approach is expected to be helpful. Generalization-focused experiments validate Skipper's significant advantage in zero-shot generalization, compared to some existing state-of-the-art hierarchical planning methods.

Sitao Luan, Chenqing Hua, Qincheng Lu et al.

Graph Neural Networks (GNNs) extend basic Neural Networks (NNs) by using the graph structures based on the relational inductive bias (homophily assumption). Though GNNs are believed to outperform NNs in real-world tasks, performance advantages of GNNs over graph-agnostic NNs seem not generally satisfactory. Heterophily has been considered as a main cause and numerous works have been put forward to address it. In this paper, we first show that not all cases of heterophily are harmful for GNNs with aggregation operation. Then, we propose new metrics based on a similarity matrix which considers the influence of both graph structure and input features on GNNs. The metrics demonstrate advantages over the commonly used homophily metrics by tests on synthetic graphs. From the metrics and the observations, we find some cases of harmful heterophily can be addressed by diversification operation. With this fact and knowledge of filterbanks, we propose the Adaptive Channel Mixing (ACM) framework to adaptively exploit aggregation, diversification and identity channels in each GNN layer to address harmful heterophily. We validate the ACM-augmented baselines with 10 real-world node classification tasks. They consistently achieve significant performance gain and exceed the state-of-the-art GNNs on most of the tasks without incurring significant computational burden.

Mingde Zhao, Zhen Liu, Sitao Luan et al.

We present an end-to-end, model-based deep reinforcement learning agent which dynamically attends to relevant parts of its state during planning. The agent uses a bottleneck mechanism over a set-based representation to force the number of entities to which the agent attends at each planning step to be small. In experiments, we investigate the bottleneck mechanism with several sets of customized environments featuring different challenges. We consistently observe that the design allows the planning agents to generalize their learned task-solving abilities in compatible unseen environments by attending to the relevant objects, leading to better out-of-distribution generalization performance.

Sitao Luan, Mingde Zhao, Chenqing Hua et al.

The core operation of current Graph Neural Networks (GNNs) is the aggregation enabled by the graph Laplacian or message passing, which filters the neighborhood node information. Though effective for various tasks, in this paper, we show that they are potentially a problematic factor underlying all GNN methods for learning on certain datasets, as they force the node representations similar, making the nodes gradually lose their identity and become indistinguishable. Hence, we augment the aggregation operations with their dual, i.e. diversification operators that make the node more distinct and preserve the identity. Such augmentation replaces the aggregation with a two-channel filtering process that, in theory, is beneficial for enriching the node representations. In practice, the proposed two-channel filters can be easily patched on existing GNN methods with diverse training strategies, including spectral and spatial (message passing) methods. In the experiments, we observe desired characteristics of the models and significant performance boost upon the baselines on 9 node classification tasks.

Sitao Luan, Mingde Zhao, Xiao-Wen Chang et al.

The performance limit of Graph Convolutional Networks (GCNs) and the fact that we cannot stack more of them to increase the performance, which we usually do for other deep learning paradigms, are pervasively thought to be caused by the limitations of the GCN layers, including insufficient expressive power, etc. However, if so, for a fixed architecture, it would be unlikely to lower the training difficulty and to improve performance by changing only the training procedure, which we show in this paper not only possible but possible in several ways. This paper first identify the training difficulty of GCNs from the perspective of graph signal energy loss. More specifically, we find that the loss of energy in the backward pass during training nullifies the learning of the layers closer to the input. Then, we propose several methodologies to mitigate the training problem by slightly modifying the GCN operator, from the energy perspective. After empirical validation, we confirm that these changes of operator lead to significant decrease in the training difficulties and notable performance boost, without changing the composition of parameters. With these, we conclude that the root cause of the problem is more likely the training difficulty than the others.

Mingde Zhao

Temporal-Difference (TD) learning is a standard and very successful reinforcement learning approach, at the core of both algorithms that learn the value of a given policy, as well as algorithms which learn how to improve policies. TD-learning with eligibility traces provides a way to do temporal credit assignment, i.e. decide which portion of a reward should be assigned to predecessor states that occurred at different previous times, controlled by a parameter $λ$. However, tuning this parameter can be time-consuming, and not tuning it can lead to inefficient learning. To improve the sample efficiency of TD-learning, we propose a meta-learning method for adjusting the eligibility trace parameter, in a state-dependent manner. The adaptation is achieved with the help of auxiliary learners that learn distributional information about the update targets online, incurring roughly the same computational complexity per step as the usual value learner. Our approach can be used both in on-policy and off-policy learning. We prove that, under some assumptions, the proposed method improves the overall quality of the update targets, by minimizing the overall target error. This method can be viewed as a plugin which can also be used to assist prediction with function approximation by meta-learning feature (observation)-based $λ$ online, or even in the control case to assist policy improvement. Our empirical evaluation demonstrates significant performance improvements, as well as improved robustness of the proposed algorithm to learning rate variation.

Hongwei Ge, Zehang Yan, Kai Zhang et al.

Image captioning is a research hotspot where encoder-decoder models combining convolutional neural network (CNN) and long short-term memory (LSTM) achieve promising results. Despite significant progress, these models generate sentences differently from human cognitive styles. Existing models often generate a complete sentence from the first word to the end, without considering the influence of the following words on the whole sentence generation. In this paper, we explore the utilization of a human-like cognitive style, i.e., building overall cognition for the image to be described and the sentence to be constructed, for enhancing computer image understanding. This paper first proposes a Mutual-aid network structure with Bidirectional LSTMs (MaBi-LSTMs) for acquiring overall contextual information. In the training process, the forward and backward LSTMs encode the succeeding and preceding words into their respective hidden states by simultaneously constructing the whole sentence in a complementary manner. In the captioning process, the LSTM implicitly utilizes the subsequent semantic information contained in its hidden states. In fact, MaBi-LSTMs can generate two sentences in forward and backward directions. To bridge the gap between cross-domain models and generate a sentence with higher quality, we further develop a cross-modal attention mechanism to retouch the two sentences by fusing their salient parts as well as the salient areas of the image. Experimental results on the Microsoft COCO dataset show that the proposed model improves the performance of encoder-decoder models and achieves state-of-the-art results.

Sitao Luan, Mingde Zhao, Xiao-Wen Chang et al.

Recently, neural network based approaches have achieved significant improvement for solving large, complex, graph-structured problems. However, their bottlenecks still need to be addressed, and the advantages of multi-scale information and deep architectures have not been sufficiently exploited. In this paper, we theoretically analyze how existing Graph Convolutional Networks (GCNs) have limited expressive power due to the constraint of the activation functions and their architectures. We generalize spectral graph convolution and deep GCN in block Krylov subspace forms and devise two architectures, both with the potential to be scaled deeper but each making use of the multi-scale information in different ways. We further show that the equivalence of these two architectures can be established under certain conditions. On several node classification tasks, with or without the help of validation, the two new architectures achieve better performance compared to many state-of-the-art methods.

Mingde Zhao, Sitao Luan, Ian Porada et al.

Temporal-Difference (TD) learning is a standard and very successful reinforcement learning approach, at the core of both algorithms that learn the value of a given policy, as well as algorithms which learn how to improve policies. TD-learning with eligibility traces provides a way to boost sample efficiency by temporal credit assignment, i.e. deciding which portion of a reward should be assigned to predecessor states that occurred at different previous times, controlled by a parameter $λ$. However, tuning this parameter can be time-consuming, and not tuning it can lead to inefficient learning. For better sample efficiency of TD-learning, we propose a meta-learning method for adjusting the eligibility trace parameter, in a state-dependent manner. The adaptation is achieved with the help of auxiliary learners that learn distributional information about the update targets online, incurring roughly the same computational complexity per step as the usual value learner. Our approach can be used both in on-policy and off-policy learning. We prove that, under some assumptions, the proposed method improves the overall quality of the update targets, by minimizing the overall target error. This method can be viewed as a plugin to assist prediction with function approximation by meta-learning feature (observation)-based $λ$ online, or even in the control case to assist policy improvement. Our empirical evaluation demonstrates significant performance improvements, as well as improved robustness of the proposed algorithm to learning rate variation.

Mingde Zhao, Hongwei Ge, Kai Zhang et al.

The infeasible parts of the objective space in difficult many-objective optimization problems cause trouble for evolutionary algorithms. This paper proposes a reference vector based algorithm which uses two interacting engines to adapt the reference vectors and to evolve the population towards the true Pareto Front (PF) s.t. the reference vectors are always evenly distributed within the current PF to provide appropriate guidance for selection. The current PF is tracked by maintaining an archive of undominated individuals, and adaptation of reference vectors is conducted with the help of another archive that contains layers of reference vectors corresponding to different density. Experimental results show the expected characteristics and competitive performance of the proposed algorithm TEEA.

Mingde Zhao, Hongwei Ge, Yi Lian et al.

The generalization abilities of heuristic optimizers may deteriorate with the increment of the search space dimensionality. To achieve generalized performance across Large Scale Blackbox Optimization (LSBO) tasks, it ispossible to ensemble several heuristics and devise a meta-heuristic to control their initiation. This paper first proposes a methodology of transforming LSBO problems into online decision processes to maximize efficiency of resource utilization. Then, using the perspective of multi-armed bandits with non-stationary reward distributions, we propose a meta-heuristic based on Temporal Estimation of Rewards (TER) to address such decision process. TER uses a window for temporal credit assignment and Boltzmann exploration to balance the exploration-exploitation tradeoff. The prior-free TER generalizes across LSBO tasks with flexibility for different types of limited computational resources (e.g. time, money, etc.) and is easy to be adapted to new tasks for its simplicity and easy interface for heuristic articulation. Tests on the benchmarks validate the problem formulation and suggest significant effectiveness: when TER is articulated with three heuristics, competitive performance is reported across different sets of benchmark problems with search dimensions up to 10000.

Hongwei Ge, Mingde Zhao, Liang Sun et al.

Researches have shown difficulties in obtaining proximity while maintaining diversity for many-objective optimization problems. Complexities of the true Pareto front pose challenges for the reference vector-based algorithms for their insufficient adaptability to the diverse characteristics with no priori. This paper proposes a many-objective optimization algorithm with two interacting processes: cascade clustering and reference point incremental learning (CLIA). In the population selection process based on cascade clustering (CC), using the reference vectors provided by the process based on incremental learning, the nondominated and the dominated individuals are clustered and sorted with different manners in a cascade style and are selected by round-robin for better proximity and diversity. In the reference vector adaptation process based on reference point incremental learning, using the feedbacks from the process based on CC, proper distribution of reference points is gradually obtained by incremental learning. Experimental studies on several benchmark problems show that CLIA is competitive compared with the state-of-the-art algorithms and has impressive efficiency and versatility using only the interactions between the two processes without incurring extra evaluations.