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Machine learning (ML) has emerged as a powerful tool for accelerating the computational design and production of materials. In materials science, ML has primarily supported large-scale discovery of novel compounds using first-principles…

Training on edge devices poses several challenges as these devices are generally resource-constrained, especially in terms of power. State-of-the-art techniques at the device level reduce the GPU frequency to enforce power constraints,…

Machine Learning · Computer Science 2025-02-26 Mohamed Aboelenien Ahmed , Kilian Pfeiffer , Heba Khdr , Osama Abboud , Ramin Khalili , Jörg Henkel

As Large Language Models (LLMs) scale, weight-only quantization (W4A16: 4-bit weights, 16-bit activations) becomes critical for reducing memory footprint with minimal accuracy loss. However, its efficient deployment on Huawei's Ascend 910…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-03-04 Yuanhong He , Peiyu Niu , Jun Chen , Chenchen Zhang , Chao Yang

Existing parameter-efficient fine-tuning (PEFT) methods primarily fall into two categories: addition-based and selective in-situ adaptation. The former, such as LoRA, introduce additional modules to adapt the model to downstream tasks,…

Machine Learning · Computer Science 2025-10-23 Zhi Zhang , Yixian Shen , Congfeng Cao , Ekaterina Shutova

We present our latest advancements of machine-learned potentials (MLPs) based on the neuroevolution potential (NEP) framework introduced in [Fan et al., Phys. Rev. B 104, 104309 (2021)] and their implementation in the open-source package…

Kernel development in deep learning requires optimizing computational units across hardware while balancing memory management, parallelism, and hardware-specific optimizations through extensive empirical tuning. Although domain-specific…

Machine Learning · Computer Science 2025-07-09 Shangzhan Li , Zefan Wang , Ye He , Yuxuan Li , Qi Shi , Jianling Li , Yonggang Hu , Wanxiang Che , Xu Han , Zhiyuan Liu , Maosong Sun

The M series of chips produced by Apple have proven a capable and power-efficient alternative to mainstream Intel and AMD x86 processors for everyday tasks. Additionally, the unified design integrating the central processing and graphics…

Computational Physics · Physics 2023-10-05 Lars Gebraad , Andreas Fichtner

As neural networks are increasingly employed in machine learning practice, how to efficiently share limited training resources among a diverse set of model training tasks becomes a crucial issue. To achieve better utilization of the shared…

Machine Learning · Computer Science 2021-04-27 Rui Liu , Sanjay Krishnan , Aaron J. Elmore , Michael J. Franklin

Context: The rapid evolution of Large Language Models (LLMs) has sparked significant interest in leveraging their capabilities for automating code review processes. Prior studies often focus on developing LLMs for code review automation,…

Software Engineering · Computer Science 2024-06-18 Chanathip Pornprasit , Chakkrit Tantithamthavorn

Financial firms are interested in simulation to discover whether a given algorithm involving financial machine learning will operate profitably. While many versions of this type of algorithm have been published recently by researchers, the…

Trading and Market Microstructure · Quantitative Finance 2022-06-22 Mark Joseph Bennett

Typically, Ultra-deep neural network(UDNN) tends to yield high-quality model, but its training process is usually resource intensive and time-consuming. Modern GPU's scarce DRAM capacity is the primary bottleneck that hinders the…

Machine Learning · Computer Science 2019-06-21 Jinrong Guo , Wantao Liu , Wang Wang , Qu Lu , Songlin Hu , Jizhong Han , Ruixuan Li

Conventional Neural Networks can approximate simple arithmetic operations, but fail to generalize beyond the range of numbers that were seen during training. Neural Arithmetic Units aim to overcome this difficulty, but current arithmetic…

Machine Learning · Computer Science 2020-12-18 Niklas Heim , Tomáš Pevný , Václav Šmídl

Linear Programming (LP) is a foundational optimization technique with widespread applications in finance, energy trading, and supply chain logistics. However, traditional Central Processing Unit (CPU)-based LP solvers often struggle to meet…

Optimization and Control · Mathematics 2025-08-26 Xiyan Hu , Titus Parker , Connor Phillips , Yifa Yu

AI tasks encompass a wide range of domains and fields. While numerous AI models have been designed for specific tasks and applications, they often require considerable human efforts in finding the right model architecture, optimization…

Computation and Language · Computer Science 2023-05-05 Shujian Zhang , Chengyue Gong , Lemeng Wu , Xingchao Liu , Mingyuan Zhou

Edge computing processes data where it is generated, enabling faster decisions, lower bandwidth usage, and improved privacy. However, edge devices typically operate under strict constraints on processing power, memory, and energy…

Performance · Computer Science 2025-12-10 Pablo Prieto , Pablo Abad

Fine-tuning large language models (LLMs) requires significant memory, often exceeding the capacity of a single GPU. A common solution to this memory challenge is offloading compute and data from the GPU to the CPU. However, this approach is…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-02-11 Siyuan Chen , Zhuofeng Wang , Zelong Guan , Yudong Liu , Phillip B. Gibbons

The high computational and memory demands of modern deep learning (DL) workloads have led to the development of specialized hardware devices from cloud to edge, such as AMD's Ryzen AI XDNA NPUs. Optimizing general matrix multiplication…

Hardware Architecture · Computer Science 2025-12-16 Endri Taka , Andre Roesti , Joseph Melber , Pranathi Vasireddy , Kristof Denolf , Diana Marculescu

Interatomic potentials are essential for driving molecular dynamics (MD) simulations, directly impacting the reliability of predictions regarding the physical and chemical properties of materials. In recent years, machine-learned potentials…

Materials Science · Physics 2025-03-20 Penghua Ying , Cheng Qian , Rui Zhao , Yanzhou Wang , Feng Ding , Shunda Chen , Zheyong Fan

Automated Program Repair (APR) uses various tools and techniques to help developers achieve functional and error-free code faster. In recent years, Large Language Models (LLMs) have gained popularity as components in APR tool chains because…

Software Engineering · Computer Science 2025-07-29 Roman Macháček , Anastasiia Grishina , Max Hort , Leon Moonen

Machine learning (ML) research and application often involve time-consuming steps such as model architecture prototyping, feature selection, and dataset preparation. To support these tasks, we introduce the Deep Fast Machine Learning Utils…

Machine Learning · Computer Science 2024-09-17 Fabi Prezja