No Arabic abstract
Active learning is widely used to reduce labeling effort and training time by repeatedly querying only the most beneficial samples from unlabeled data. In real-world problems where data cannot be stored indefinitely due to limited storage or privacy issues, the query selection and the model update should be performed as soon as a new data sample is observed. Various online active learning methods have been studied to deal with these challenges; however, there are difficulties in selecting representative query samples and updating the model efficiently without forgetting. In this study, we propose Message Passing Adaptive Resonance Theory (MPART) that learns the distribution and topology of input data online. Through message passing on the topological graph, MPART actively queries informative and representative samples, and continuously improves the classification performance using both labeled and unlabeled data. We evaluate our model in stream-based selective sampling scenarios with comparable query selection strategies, showing that MPART significantly outperforms competitive models.
Graph neural networks (GNNs) are a powerful inductive bias for modelling algorithmic reasoning procedures and data structures. Their prowess was mainly demonstrated on tasks featuring Markovian dynamics, where querying any associated data structure depends only on its latest state. For many tasks of interest, however, it may be highly beneficial to support efficient data structure queries dependent on previous states. This requires tracking the data structures evolution through time, placing significant pressure on the GNNs latent representations. We introduce Persistent Message Passing (PMP), a mechanism which endows GNNs with capability of querying past state by explicitly persisting it: rather than overwriting node representations, it creates new nodes whenever required. PMP generalises out-of-distribution to more than 2x larger test inputs on dynamic temporal range queries, significantly outperforming GNNs which overwrite states.
Graph convolution networks, like message passing graph convolution networks (MPGCNs), have been a powerful tool in representation learning of networked data. However, when data is heterogeneous, most architectures are limited as they employ a single strategy to handle multi-channel graph signals and they typically focus on low-frequency information. In this paper, we present a novel graph convolution operator, termed BankGCN, which keeps benefits of message passing models, but extends their capabilities beyond `low-pass features. It decomposes multi-channel signals on graphs into subspaces and handles particular information in each subspace with an adapted filter. The filters of all subspaces have different frequency responses and together form a filter bank. Furthermore, each filter in the spectral domain corresponds to a message passing scheme, and diverse schemes are implemented via the filter bank. Importantly, the filter bank and the signal decomposition are jointly learned to adapt to the spectral characteristics of data and to target applications. Furthermore, this is implemented almost without extra parameters in comparison with most existing MPGCNs. Experimental results show that the proposed convolution operator permits to achieve excellent performance in graph classification on a collection of benchmark graph datasets.
Constructing appropriate representations of molecules lies at the core of numerous tasks such as material science, chemistry and drug designs. Recent researches abstract molecules as attributed graphs and employ graph neural networks (GNN) for molecular representation learning, which have made remarkable achievements in molecular graph modeling. Albeit powerful, current models either are based on local aggregation operations and thus miss higher-order graph properties or focus on only node information without fully using the edge information. For this sake, we propose a Communicative Message Passing Transformer (CoMPT) neural network to improve the molecular graph representation by reinforcing message interactions between nodes and edges based on the Transformer architecture. Unlike the previous transformer-style GNNs that treat molecules as fully connected graphs, we introduce a message diffusion mechanism to leverage the graph connectivity inductive bias and reduce the message enrichment explosion. Extensive experiments demonstrated that the proposed model obtained superior performances (around 4$%$ on average) against state-of-the-art baselines on seven chemical property datasets (graph-level tasks) and two chemical shift datasets (node-level tasks). Further visualization studies also indicated a better representation capacity achieved by our model.
We formulate a new problem at the intersectionof semi-supervised learning and contextual bandits,motivated by several applications including clini-cal trials and ad recommendations. We demonstratehow Graph Convolutional Network (GCN), a semi-supervised learning approach, can be adjusted tothe new problem formulation. We also propose avariant of the linear contextual bandit with semi-supervised missing rewards imputation. We thentake the best of both approaches to develop multi-GCN embedded contextual bandit. Our algorithmsare verified on several real world datasets.
In offline reinforcement learning (RL) agents are trained using a logged dataset. It appears to be the most natural route to attack real-life applications because in domains such as healthcare and robotics interactions with the environment are either expensive or unethical. Training agents usually requires reward functions, but unfortunately, rewards are seldom available in practice and their engineering is challenging and laborious. To overcome this, we investigate reward learning under the constraint of minimizing human reward annotations. We consider two types of supervision: timestep annotations and demonstrations. We propose semi-supervised learning algorithms that learn from limited annotations and incorporate unlabelled data. In our experiments with a simulated robotic arm, we greatly improve upon behavioural cloning and closely approach the performance achieved with ground truth rewards. We further investigate the relationship between the quality of the reward model and the final policies. We notice, for example, that the reward models do not need to be perfect to result in useful policies.