Xiaoxin Xu

Yi Li, Songqi Wang, Yaping Zhao et al.

The rapid advancement of artificial intelligence (AI) has been marked by the large language models exhibiting human-like intelligence. However, these models also present unprecedented challenges to energy consumption and environmental sustainability. One promising solution is to revisit analogue computing, a technique that predates digital computing and exploits emerging analogue electronic devices, such as resistive memory, which features in-memory computing, high scalability, and nonvolatility. However, analogue computing still faces the same challenges as before: programming nonidealities and expensive programming due to the underlying devices physics. Here, we report a universal solution, software-hardware co-design using structural plasticity-inspired edge pruning to optimize the topology of a randomly weighted analogue resistive memory neural network. Software-wise, the topology of a randomly weighted neural network is optimized by pruning connections rather than precisely tuning resistive memory weights. Hardware-wise, we reveal the physical origin of the programming stochasticity using transmission electron microscopy, which is leveraged for large-scale and low-cost implementation of an overparameterized random neural network containing high-performance sub-networks. We implemented the co-design on a 40nm 256K resistive memory macro, observing 17.3% and 19.9% accuracy improvements in image and audio classification on FashionMNIST and Spoken digits datasets, as well as 9.8% (2%) improvement in PR (ROC) in image segmentation on DRIVE datasets, respectively. This is accompanied by 82.1%, 51.2%, and 99.8% improvement in energy efficiency thanks to analogue in-memory computing. By embracing the intrinsic stochasticity and in-memory computing, this work may solve the biggest obstacle of analogue computing systems and thus unleash their immense potential for next-generation AI hardware.

Yanxiao Hu, Ye Sheng, Jing Huang et al.

Using machine learning (ML) to construct interatomic interactions and thus potential energy surface (PES) has become a common strategy for materials design and simulations. However, those current models of machine learning interatomic potential (MLIP) provide no relevant physical constrains, and thus may owe intrinsic out-of-domain difficulty which underlies the challenges of model generalizability and physical scalability. Here, by incorporating physics-informed Universal-Scaling law and nonlinearity-embedded interaction function, we develop a Super-linear MLIP with both Ultra-Small parameterization and greatly expanded expressive capability, named SUS2-MLIP. Due to the global scaling rooting in universal equation of state (UEOS), SUS2-MLIP not only has significantly-reduced parameters by decoupling the element space from coordinate space, but also naturally outcomes the out-of-domain difficulty and endows the potentials with inherent generalizability and scalability even with relatively small training dataset. The nonlinearity-enbeding transformation for interaction function expands the expressive capability and make the potentials super-linear. The SUS2-MLIP outperforms the state-of-the-art MLIP models with its exceptional computational efficiency especially for multiple-element materials and physical scalability in property prediction. This work not only presents a highly-efficient universal MLIP model but also sheds light on incorporating physical constraints into artificial-intelligence-aided materials simulation.