Graph neural networks (GNNs) are among the most powerful tools in deep learning. They routinely solve complex problems on unstructured networks, such as node classification, graph classification, or link prediction, with high accuracy. However, both inference and training of GNNs are complex, and they uniquely combine the features of irregular graph processing with dense and regular computations. This complexity makes it very challenging to execute GNNs efficiently on modern massively parallel architectures. To alleviate this, we first design a taxonomy of parallelism in GNNs, considering data and model parallelism, and different forms of pipelining. Then, we use this taxonomy to investigate the amount of parallelism in numerous GNN models, GNN-driven machine learning tasks, software frameworks, or hardware accelerators. We use the work-depth model, and we also assess communication volume and synchronization. We specifically focus on the sparsity/density of the associated tensors, in order to understand how to effectively apply techniques such as vectorization. We also formally analyze GNN pipelining, and we generalize the established Message-Passing class of GNN models to cover arbitrary pipeline depths, facilitating future optimizations. Finally, we investigate different forms of asynchronicity, navigating the path for future asynchronous parallel GNN pipelines. The outcomes of our analysis are synthesized in a set of insights that help to maximize GNN performance, and a comprehensive list of challenges and opportunities for further research into efficient GNN computations. Our work will help to advance the design of future GNNs.
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The mainstream approaches for creating AIs are the generative and deep learning AI approaches with large language models (LLMs) and the traditional manually constructed symbolic AI approach. Manually constructed AIs are generally brittle even in circumscribed domains. Generative AIs make strange mistakes and do not notice them. In both approaches the AIs cannot be instructed easily, fail to use common sense, and lack curiosity. They have abstract knowledge but lack social alignment. Developmental AIs may have more potential. They develop competences like human children do. They start with innate competences, interact with the environment, and learn from their interactions. They interact and learn from people and establish perceptual, cognitive, and common grounding. Developmental AIs have demonstrated capabilities including visual and multimodal perception, and object recognition and manipulation. Computational models for abstraction discovery, curiosity, imitation learning, and early language acquisition have also been demonstrated. The promise is that developmental AIs will acquire self-developed and socially developed competences like people do. They would address the shortcomings of current mainstream AI approaches, and ultimately lead to sophisticated forms of learning involving critical reading, provenance evaluation, and hypothesis testing. However, developmental AI projects have not yet fully reached toddler level competencies corresponding to human development at about two years of age, before their speech is fluent. They do not bridge the Reading Barrier, to skillfully and skeptically draw on online information resources. This position paper lays out the logic, prospects, gaps, and challenges for extending the practice of developmental AIs to create intelligent, human-compatible AIs.
A large number of current machine learning methods rely upon deep neural networks. Yet, viewing neural networks as nonlinear dynamical systems, it becomes quickly apparent that mathematically rigorously establishing certain patterns generated by the nodes in the network is extremely difficult. Indeed, it is well-understood in the nonlinear dynamics of complex systems that, even in low-dimensional models, analytical techniques rooted in pencil-and-paper approaches frequently reach their limits. In this work, we propose a completely different perspective via the paradigm of validated numerical methods of nonlinear dynamics. The idea is to use computer-assisted proofs to validate mathematically the existence of nonlinear patterns in neural networks. As a case study, we consider a class of recurrent neural networks, where we prove via computer assistance the existence of several hundred Hopf bifurcation points, their non-degeneracy, and hence also the existence of several hundred periodic orbits. Our paradigm has the capability to rigorously verify complex nonlinear behaviour of neural networks, which provides a first step to explain the full abilities, as well as potential sensitivities, of machine learning methods via computer-assisted proofs. We showcase how validated numerical techniques can shed light on the internal working of recurrent neural networks (RNNs). For this, proofs of Hopf bifurcations are a first step towards an integration of dynamical system theory in practical application of RNNs, by proving the existence of periodic orbits in a variety of settings.
Music Information Retrieval (MIR) has seen a recent surge in deep learning-based approaches, which often involve encoding symbolic music (i.e., music represented in terms of discrete note events) in an image-like or language like fashion. However, symbolic music is neither an image nor a sentence, and research in the symbolic domain lacks a comprehensive overview of the different available representations. In this paper, we investigate matrix (piano roll), sequence, and graph representations and their corresponding neural architectures, in combination with symbolic scores and performances on three piece-level classification tasks. We also introduce a novel graph representation for symbolic performances and explore the capability of graph representations in global classification tasks. Our systematic evaluation shows advantages and limitations of each input representation. Our results suggest that the graph representation, as the newest and least explored among the three approaches, exhibits promising performance, while being more light-weight in training.
We consider the exploration-exploitation dilemma in finite-horizon reinforcement learning (RL). When the state space is large or continuous, traditional tabular approaches are unfeasible and some form of function approximation is mandatory. In this paper, we introduce an optimistically-initialized variant of the popular randomized least-squares value iteration (RLSVI), a model-free algorithm where exploration is induced by perturbing the least-squares approximation of the action-value function. Under the assumption that the Markov decision process has low-rank transition dynamics, we prove that the frequentist regret of RLSVI is upper-bounded by $\widetilde O(d^2 H^2 \sqrt{T})$ where $ d $ are the feature dimension, $ H $ is the horizon, and $ T $ is the total number of steps. To the best of our knowledge, this is the first frequentist regret analysis for randomized exploration with function approximation.
Graph neural networks (GNNs) are a type of deep learning models that learning over graphs, and have been successfully applied in many domains. Despite the effectiveness of GNNs, it is still challenging for GNNs to efficiently scale to large graphs. As a remedy, distributed computing becomes a promising solution of training large-scale GNNs, since it is able to provide abundant computing resources. However, the dependency of graph structure increases the difficulty of achieving high-efficiency distributed GNN training, which suffers from the massive communication and workload imbalance. In recent years, many efforts have been made on distributed GNN training, and an array of training algorithms and systems have been proposed. Yet, there is a lack of systematic review on the optimization techniques from graph processing to distributed execution. In this survey, we analyze three major challenges in distributed GNN training that are massive feature communication, the loss of model accuracy and workload imbalance. Then we introduce a new taxonomy for the optimization techniques in distributed GNN training that address the above challenges. The new taxonomy classifies existing techniques into four categories that are GNN data partition, GNN batch generation, GNN execution model, and GNN communication protocol.We carefully discuss the techniques in each category. In the end, we summarize existing distributed GNN systems for multi-GPUs, GPU-clusters and CPU-clusters, respectively, and give a discussion about the future direction on scalable GNNs.
As an effective strategy, data augmentation (DA) alleviates data scarcity scenarios where deep learning techniques may fail. It is widely applied in computer vision then introduced to natural language processing and achieves improvements in many tasks. One of the main focuses of the DA methods is to improve the diversity of training data, thereby helping the model to better generalize to unseen testing data. In this survey, we frame DA methods into three categories based on the diversity of augmented data, including paraphrasing, noising, and sampling. Our paper sets out to analyze DA methods in detail according to the above categories. Further, we also introduce their applications in NLP tasks as well as the challenges.
Exploration-exploitation is a powerful and practical tool in multi-agent learning (MAL), however, its effects are far from understood. To make progress in this direction, we study a smooth analogue of Q-learning. We start by showing that our learning model has strong theoretical justification as an optimal model for studying exploration-exploitation. Specifically, we prove that smooth Q-learning has bounded regret in arbitrary games for a cost model that explicitly captures the balance between game and exploration costs and that it always converges to the set of quantal-response equilibria (QRE), the standard solution concept for games under bounded rationality, in weighted potential games with heterogeneous learning agents. In our main task, we then turn to measure the effect of exploration in collective system performance. We characterize the geometry of the QRE surface in low-dimensional MAL systems and link our findings with catastrophe (bifurcation) theory. In particular, as the exploration hyperparameter evolves over-time, the system undergoes phase transitions where the number and stability of equilibria can change radically given an infinitesimal change to the exploration parameter. Based on this, we provide a formal theoretical treatment of how tuning the exploration parameter can provably lead to equilibrium selection with both positive as well as negative (and potentially unbounded) effects to system performance.
Graph-based semi-supervised learning (SSL) is an important learning problem where the goal is to assign labels to initially unlabeled nodes in a graph. Graph Convolutional Networks (GCNs) have recently been shown to be effective for graph-based SSL problems. GCNs inherently assume existence of pairwise relationships in the graph-structured data. However, in many real-world problems, relationships go beyond pairwise connections and hence are more complex. Hypergraphs provide a natural modeling tool to capture such complex relationships. In this work, we explore the use of GCNs for hypergraph-based SSL. In particular, we propose HyperGCN, an SSL method which uses a layer-wise propagation rule for convolutional neural networks operating directly on hypergraphs. To the best of our knowledge, this is the first principled adaptation of GCNs to hypergraphs. HyperGCN is able to encode both the hypergraph structure and hypernode features in an effective manner. Through detailed experimentation, we demonstrate HyperGCN's effectiveness at hypergraph-based SSL.
Recurrent neural nets (RNN) and convolutional neural nets (CNN) are widely used on NLP tasks to capture the long-term and local dependencies, respectively. Attention mechanisms have recently attracted enormous interest due to their highly parallelizable computation, significantly less training time, and flexibility in modeling dependencies. We propose a novel attention mechanism in which the attention between elements from input sequence(s) is directional and multi-dimensional (i.e., feature-wise). A light-weight neural net, "Directional Self-Attention Network (DiSAN)", is then proposed to learn sentence embedding, based solely on the proposed attention without any RNN/CNN structure. DiSAN is only composed of a directional self-attention with temporal order encoded, followed by a multi-dimensional attention that compresses the sequence into a vector representation. Despite its simple form, DiSAN outperforms complicated RNN models on both prediction quality and time efficiency. It achieves the best test accuracy among all sentence encoding methods and improves the most recent best result by 1.02% on the Stanford Natural Language Inference (SNLI) dataset, and shows state-of-the-art test accuracy on the Stanford Sentiment Treebank (SST), Multi-Genre natural language inference (MultiNLI), Sentences Involving Compositional Knowledge (SICK), Customer Review, MPQA, TREC question-type classification and Subjectivity (SUBJ) datasets.
Convolutional Neural Networks (CNNs) have gained significant traction in the field of machine learning, particularly due to their high accuracy in visual recognition. Recent works have pushed the performance of GPU implementations of CNNs to significantly improve their classification and training times. With these improvements, many frameworks have become available for implementing CNNs on both CPUs and GPUs, with no support for FPGA implementations. In this work we present a modified version of the popular CNN framework Caffe, with FPGA support. This allows for classification using CNN models and specialized FPGA implementations with the flexibility of reprogramming the device when necessary, seamless memory transactions between host and device, simple-to-use test benches, and the ability to create pipelined layer implementations. To validate the framework, we use the Xilinx SDAccel environment to implement an FPGA-based Winograd convolution engine and show that the FPGA layer can be used alongside other layers running on a host processor to run several popular CNNs (AlexNet, GoogleNet, VGG A, Overfeat). The results show that our framework achieves 50 GFLOPS across 3x3 convolutions in the benchmarks. This is achieved within a practical framework, which will aid in future development of FPGA-based CNNs.
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