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In neural architecture search (NAS), the space of neural network architectures is automatically explored to maximize predictive accuracy for a given task. Despite the success of recent approaches, most existing methods cannot be directly applied to large scale problems because of their prohibitive computational complexity or high memory usage. In this work, we propose a Probabilistic approach to neural ARchitecture SEarCh (PARSEC) that drastically reduces memory requirements while maintaining state-of-the-art computational complexity, making it possible to directly search over more complex architectures and larger datasets. Our approach only requires as much memory as is needed to train a single architecture from our search space. This is due to a memory-efficient sampling procedure wherein we learn a probability distribution over high-performing neural network architectures. Importantly, this framework enables us to transfer the distribution of architectures learnt on smaller problems to larger ones, further reducing the computational cost. We showcase the advantages of our approach in applications to CIFAR-10 and ImageNet, where our approach outperforms methods with double its computational cost and matches the performance of methods with costs that are three orders of magnitude larger.
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Differential Neural Architecture Search (NAS) requires all layer choices to be held in memory simultaneously; this limits the size of both search space and final architecture. In contrast, Probabilistic NAS, such as PARSEC, learns a distribution over high-performing architectures, and uses only as much memory as needed to train a single model. Nevertheless, it needs to sample many architectures, making it computationally expensive for searching in an extensive space. To solve these problems, we propose a sampling method adaptive to the distribution entropy, drawing more samples to encourage explorations at the beginning, and reducing samples as learning proceeds. Furthermore, to search fast in the multi-variate space, we propose a coarse-to-fine strategy by using a factorized distribution at the beginning which can reduce the number of architecture parameters by over an order of magnitude. We call this method Fast Probabilistic NAS (FP-NAS). Compared with PARSEC, it can sample 64% fewer architectures and search 2.1x faster. Compared with FBNetV2, FP-NAS is 1.9x - 3.5x faster, and the searched models outperform FBNetV2 models on ImageNet. FP-NAS allows us to expand the giant FBNetV2 space to be wider (i.e. larger channel choices) and deeper (i.e. more blocks), while adding Split-Attention block and enabling the search over the number of splits. When searching a model of size 0.4G FLOPS, FP-NAS is 132x faster than EfficientNet, and the searched FP-NAS-L0 model outperforms EfficientNet-B0 by 0.7% accuracy. Without using any architecture surrogate or scaling tricks, we directly search large models up to 1.0G FLOPS. Our FP-NAS-L2 model with simple distillation outperforms BigNAS-XL with advanced in-place distillation by 0.7% accuracy using similar FLOPS.
We report a neural architecture search framework, BioNAS, that is tailored for biomedical researchers to easily build, evaluate, and uncover novel knowledge from interpretable deep learning models. The introduction of knowledge dissimilarity functions in BioNAS enables the joint optimization of predictive power and biological knowledge through searching architectures in a model space. By optimizing the consistency with existing knowledge, we demonstrate that BioNAS optimal models reveal novel knowledge in both simulated data and in real data of functional genomics. BioNAS provides a useful tool for domain experts to inject their prior belief into automated machine learning and therefore making deep learning easily accessible to practitioners. BioNAS is available at https://github.com/zj-zhang/BioNAS-pub.
Computer simulations are invaluable tools for scientific discovery. However, accurate simulations are often slow to execute, which limits their applicability to extensive parameter exploration, large-scale data analysis, and uncertainty quantification. A promising route to accelerate simulations by building fast emulators with machine learning requires large training datasets, which can be prohibitively expensive to obtain with slow simulations. Here we present a method based on neural architecture search to build accurate emulators even with a limited number of training data. The method successfully accelerates simulations by up to 2 billion times in 10 scientific cases including astrophysics, climate science, biogeochemistry, high energy density physics, fusion energy, and seismology, using the same super-architecture, algorithm, and hyperparameters. Our approach also inherently provides emulator uncertainty estimation, adding further confidence in their use. We anticipate this work will accelerate research involving expensive simulations, allow more extensive parameters exploration, and enable new, previously unfeasible computational discovery.
We propose a new method for learning the structure of convolutional neural networks (CNNs) that is more efficient than recent state-of-the-art methods based on reinforcement learning and evolutionary algorithms. Our approach uses a sequential model-based optimization (SMBO) strategy, in which we search for structures in order of increasing complexity, while simultaneously learning a surrogate model to guide the search through structure space. Direct comparison under the same search space shows that our method is up to 5 times more efficient than the RL method of Zoph et al. (2018) in terms of number of models evaluated, and 8 times faster in terms of total compute. The structures we discover in this way achieve state of the art classification accuracies on CIFAR-10 and ImageNet.
Performing analytical tasks over graph data has become increasingly interesting due to the ubiquity and large availability of relational information. However, unlike images or sentences, there is no notion of sequence in networks. Nodes (and edges) follow no absolute order, and it is hard for traditional machine learning (ML) algorithms to recognize a pattern and generalize their predictions on this type of data. Graph Neural Networks (GNN) successfully tackled this problem. They became popular after the generalization of the convolution concept to the graph domain. However, they possess a large number of hyperparameters and their design and optimization is currently hand-made, based on heuristics or empirical intuition. Neural Architecture Search (NAS) methods appear as an interesting solution to this problem. In this direction, this paper compares two NAS methods for optimizing GNN: one based on reinforcement learning and a second based on evolutionary algorithms. Results consider 7 datasets over two search spaces and show that both methods obtain similar accuracies to a random search, raising the question of how many of the search space dimensions are actually relevant to the problem.
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