Hardware-Aware Neural Architecture Search (HW-NAS) is an efficient approach to automatically co-optimizing neural network performance and hardware energy efficiency, making it particularly useful for the development of Deep Neural Network accelerators on the edge. However, the extensive search space and high computational cost pose significant challenges to its practical adoption. To address these limitations, we propose Coflex, a novel HW-NAS framework that integrates the Sparse Gaussian Process (SGP) with multi-objective Bayesian optimization. By leveraging sparse inducing points, Coflex reduces the GP kernel complexity from cubic to near-linear with respect to the number of training samples, without compromising optimization performance. This enables scalable approximation of large-scale search space, substantially decreasing computational overhead while preserving high predictive accuracy. We evaluate the efficacy of Coflex across various benchmarks, focusing on accelerator-specific architecture. Our experimental results show that Coflex outperforms state-of-the-art methods in terms of network accuracy and Energy-Delay-Product, while achieving a computational speed-up ranging from 1.9x to 9.5x.

In recent years, graph-based machine learning techniques, such as reinforcement learning and graph neural networks, have garnered significant attention. While some recent studies have started to explore the relationship between the graph structure of neural networks and their predictive performance, they often limit themselves to a narrow range of model networks, particularly lacking mesoscale structures such as communities. Our work advances this area by conducting a more comprehensive investigation, incorporating realistic network structures characterized by heterogeneous degree distributions and community structures, which are typical characteristics of many real networks. These community structures offer a nuanced perspective on network architecture. Our analysis employs model networks such as random and scale-free networks, alongside a comparison with a biological neural network and its subsets for more detailed analysis. We examine the impact of these structural attributes on the performance of image classification tasks. Our findings reveal that structural properties do affect performance to some extent. Specifically, networks featuring coherent, densely interconnected communities demonstrate enhanced learning capabilities. The comparison with the biological neural network emphasizes the relevance of our findings to real-world structures, suggesting an intriguing connection worth further exploration. This study contributes meaningfully to network science and machine learning, providing insights that could inspire the design of more biologically informed neural networks.

Machine learning techniques are attractive options for developing highly-accurate automated analysis tools for nanomaterials characterization, including high-resolution transmission electron microscopy (HRTEM). However, successfully implementing such machine learning tools can be difficult due to the challenges in procuring sufficiently large, high-quality training datasets from experiments. In this work, we introduce Construction Zone, a Python package for rapidly generating complex nanoscale atomic structures, and develop an end-to-end workflow for creating large simulated databases for training neural networks. Construction Zone enables fast, systematic sampling of realistic nanomaterial structures, and can be used as a random structure generator for simulated databases, which is important for generating large, diverse synthetic datasets. Using HRTEM imaging as an example, we train a series of neural networks on various subsets of our simulated databases to segment nanoparticles and holistically study the data curation process to understand how various aspects of the curated simulated data -- including simulation fidelity, the distribution of atomic structures, and the distribution of imaging conditions -- affect model performance across several experimental benchmarks. Using our results, we are able to achieve state-of-the-art segmentation performance on experimental HRTEM images of nanoparticles from several experimental benchmarks and, further, we discuss robust strategies for consistently achieving high performance with machine learning in experimental settings using purely synthetic data.

Despite broad interest in applying deep learning techniques to scientific discovery, learning interpretable formulas that accurately describe scientific data is very challenging because of the vast landscape of possible functions and the "black box" nature of deep neural networks. The key to success is to effectively integrate existing knowledge or hypotheses about the underlying structure of the data into the architecture of deep learning models to guide machine learning. Currently, such integration is commonly done through customization of the loss functions. Here we propose an alternative approach to integrate existing knowledge or hypotheses of data structure by constructing custom activation functions that reflect this structure. Specifically, we study a common case when the multivariate target function $f$ to be learned from the data is partially exchangeable, \emph{i.e.} $f(u,v,w)=f(v,u,w)$ for $u,v\in \mathbb{R}^d$. For instance, these conditions are satisfied for the classification of images that is invariant under left-right flipping. Through theoretical proof and experimental verification, we show that using an even activation function in one of the fully connected layers improves neural network performance. In our experimental 9-dimensional regression problems, replacing one of the non-symmetric activation functions with the designated "Seagull" activation function $\log(1+x^2)$ results in substantial improvement in network performance. Surprisingly, even activation functions are seldom used in neural networks. Our results suggest that customized activation functions have great potential in neural networks.

I was reading this article on the New Yorker from 2017 on the use of CNNs in identifying cancer by image analysis. The CNN was trained using a data set of 130k images and performed better than experts. What I don't understand is the author's contention that this neural network performed better when it was pre-trained on data having nothing to do with the cancer lesion problem. Here is the author's quote: "There's one rather profound thing about the network that wasn't fully emphasized in the paper," Thrun told me. In the first iteration of the study, he and the team had started with a totally naïve neural network.

Exploration of ANNs for the economic purposes is described and empirically examined with the foreign exchange market data. For the experiments, panel data of the exchange rates (USD/EUR, JPN/USD, USD/GBP) are examined and optimized to be used for time-series predictions with neural networks. In this stage the input selection, in which the processing steps to prepare the raw data to a suitable input for the models are investigated. The best neural network is found with the best forecasting abilities, based on a certain performance measure. A visual graphs on the experiments data set is presented after processing steps, to illustrate that particular results.