The deliberate manipulation of ammonium persulfate, methylenebisacrylamide, dimethyleacrylamide, and polyethylene oxide concentrations resulted in the development of a hydrogel with an exceptional stretchability, capable of extending up to 260 times its original length. This study aims to elucidate the molecular architecture underlying this unique phenomenon by exploring potential reaction mechanisms, facilitated by an artificial intelligence prediction system. Artificial intelligence predictor introduces a novel approach to interlinking two polymers, involving the formation of networks interconnected with linear chains following random chain scission. This novel configuration leads to the emergence of a distinct type of hydrogel, herein referred to as a "Span Network." Additionally, Fourier-transform infrared spectroscopy (FTIR) is used to investigate functional groups that may be implicated in the proposed mechanism, with ester formation confirmed among numerous hydroxyl end groups obtained from chain scission of PEO and carboxyl groups formed on hydrogel networks.

Deep learning-based reaction predictors have undergone significant architectural evolution. However, their reliance on reactions from the US Patent Office results in a lack of interpretable predictions and limited generalization capability to other chemistry domains, such as radical and atmospheric chemistry. To address these challenges, we introduce a new reaction predictor system, RMechRP, that leverages contrastive learning in conjunction with mechanistic pathways, the most interpretable representation of chemical reactions. Specifically designed for radical reactions, RMechRP provides different levels of interpretation of chemical reactions. We develop and train multiple deep-learning models using RMechDB, a public database of radical reactions, to establish the first benchmark for predicting radical reactions. Our results demonstrate the effectiveness of RMechRP in providing accurate and interpretable predictions of radical reactions, and its potential for various applications in atmospheric chemistry.

A significant point-like component from the small scale (or discrete) structure in the H2 interstellar gas might be present in the Fermi-LAT data, but modeling this emission relies on observations of rare gas tracers only available in limited regions of the sky. Identifying this contribution is important to discriminate gamma-ray point sources from interstellar gas, and to better characterize extended gamma-ray sources. We design and train convolutional neural networks to predict this emission where observations of these rare tracers do not exist and discuss the impact of this component on the analysis of the Fermi-LAT data. In particular, we evaluate prospects to exploit this methodology in the characterization of the Fermi-LAT Galactic center excess through accurate modeling of point-like structures in the data to help distinguish between a point-like or smooth nature for the excess. We show that deep learning may be effectively employed to model the gamma-ray emission traced by these rare H2 proxies within statistical significance in data-rich regions, supporting prospects to employ these methods in yet unobserved regions.

We introduce SPLASH units, a class of learnable activation functions shown to simultaneously improve the accuracy of deep neural networks while also improving their robustness to adversarial attacks. SPLASH units have both a simple parameterization and maintain the ability to approximate a wide range of non-linear functions. SPLASH units are: 1) continuous; 2) grounded (f(0) = 0); 3) use symmetric hinges; and 4) the locations of the hinges are derived directly from the data (i.e. no learning required). Compared to nine other learned and fixed activation functions, including ReLU and its variants, SPLASH units show superior performance across three datasets (MNIST, CIFAR-10, and CIFAR-100) and four architectures (LeNet5, All-CNN, ResNet-20, and Network-in-Network). Furthermore, we show that SPLASH units significantly increase the robustness of deep neural networks to adversarial attacks. Our experiments on both black-box and open-box adversarial attacks show that commonly-used architectures, namely LeNet5, All-CNN, ResNet-20, and Network-in-Network, can be up to 31% more robust to adversarial attacks by simply using SPLASH units instead of ReLUs.