Enhanced forecasting of stock prices based on variational mode decomposition, PatchTST, and adaptive scale-weighted layer

The significant fluctuations in stock index prices in recent years highlight the critical need for accurate forecasting to guide investment and financial strategies. This study introduces a novel composite forecasting framework that integrates variational mode decomposition (VMD), PatchTST, and adaptive scale-weighted layer (ASWL) to address these challenges. Utilizing datasets of four major stock indices--SP500, DJI, SSEC, and FTSE--from 2000 to 2024, the proposed method first decomposes the raw price series into intrinsic mode functions (IMFs) using VMD. Each IMF is then modeled with PatchTST to capture temporal patterns effectively. The ASWL module is applied to incorporate scale information, enhancing prediction accuracy. The final forecast is derived by aggregating predictions from all IMFs. The VMD-PatchTST-ASWL framework demonstrates significant improvements in forecasting accuracy compared to traditional models, showing robust performance across different indices. This innovative approach provides a powerful tool for stock index price forecasting, with potential applications in various financial analysis and investment decision-making contexts.

Large Language Model assisted End-to-End Network Health Management based on Multi-Scale Semanticization

Network device and system health management is the foundation of modern network operations and maintenance. Traditional health management methods, relying on expert identification or simple rule-based algorithms, struggle to cope with the dynamic heterogeneous networks (DHNs) environment. Moreover, current state-of-the-art distributed anomaly detection methods, which utilize specific machine learning techniques, lack multi-scale adaptivity for heterogeneous device information, resulting in unsatisfactory diagnostic accuracy for DHNs. In this paper, we develop an LLM-assisted end-to-end intelligent network health management framework. The framework first proposes a Multi-Scale Semanticized Anomaly Detection Model (MSADM), incorporating semantic rule trees with an attention mechanism to address the multi-scale anomaly detection problem in DHNs. Secondly, a chain-of-thought-based large language model is embedded in downstream to adaptively analyze the fault detection results and produce an analysis report with detailed fault information and optimization strategies. Experimental results show that the accuracy of our proposed MSADM for heterogeneous network entity anomaly detection is as high as 91.31\%.

Integrating Chemistry Knowledge in Large Language Models via Prompt Engineering

This paper presents a study on the integration of domain-specific knowledge in prompt engineering to enhance the performance of large language models (LLMs) in scientific domains. A benchmark dataset is curated to encapsulate the intricate physical-chemical properties of small molecules, their drugability for pharmacology, alongside the functional attributes of enzymes and crystal materials, underscoring the relevance and applicability across biological and chemical domains.The proposed domain-knowledge embedded prompt engineering method outperforms traditional prompt engineering strategies on various metrics, including capability, accuracy, F1 score, and hallucination drop. The effectiveness of the method is demonstrated through case studies on complex materials including the MacMillan catalyst, paclitaxel, and lithium cobalt oxide. The results suggest that domain-knowledge prompts can guide LLMs to generate more accurate and relevant responses, highlighting the potential of LLMs as powerful tools for scientific discovery and innovation when equipped with domain-specific prompts. The study also discusses limitations and future directions for domain-specific prompt engineering development.

An Artificial Intelligence (AI) workflow for catalyst design and optimization

In the pursuit of novel catalyst development to address pressing environmental concerns and energy demand, conventional design and optimization methods often fall short due to the complexity and vastness of the catalyst parameter space. The advent of Machine Learning (ML) has ushered in a new era in the field of catalyst optimization, offering potential solutions to the shortcomings of traditional techniques. However, existing methods fail to effectively harness the wealth of information contained within the burgeoning body of scientific literature on catalyst synthesis. To address this gap, this study proposes an innovative Artificial Intelligence (AI) workflow that integrates Large Language Models (LLMs), Bayesian optimization, and an active learning loop to expedite and enhance catalyst optimization. Our methodology combines advanced language understanding with robust optimization strategies, effectively translating knowledge extracted from diverse literature into actionable parameters for practical experimentation and optimization. In this article, we demonstrate the application of this AI workflow in the optimization of catalyst synthesis for ammonia production. The results underscore the workflow's ability to streamline the catalyst development process, offering a swift, resource-efficient, and high-precision alternative to conventional methods.

A Heterogeneous Parallel Non-von Neumann Architecture System for Accurate and Efficient Machine Learning Molecular Dynamics

This paper proposes a special-purpose system to achieve high-accuracy and high-efficiency machine learning (ML) molecular dynamics (MD) calculations. The system consists of field programmable gate array (FPGA) and application specific integrated circuit (ASIC) working in heterogeneous parallelization. To be specific, a multiplication-less neural network (NN) is deployed on the non-von Neumann (NvN)-based ASIC (SilTerra 180 nm process) to evaluate atomic forces, which is the most computationally expensive part of MD. All other calculations of MD are done using FPGA (Xilinx XC7Z100). It is shown that, to achieve similar-level accuracy, the proposed NvN-based system based on low-end fabrication technologies (180 nm) is 1.6x faster and 10^2-10^3x more energy efficiency than state-of-the-art vN based MLMD using graphics processing units (GPUs) based on much more advanced technologies (12 nm), indicating superiority of the proposed NvN-based heterogeneous parallel architecture.

A robust low data solution: dimension prediction of semiconductor nanorods

Precise control over dimension of nanocrystals is critical to tune the properties for various applications. However, the traditional control through experimental optimization is slow, tedious and time consuming. Herein a robust deep neural network-based regression algorithm has been developed for precise prediction of length, width, and aspect ratios of semiconductor nanorods (NRs). Given there is limited experimental data available (28 samples), a Synthetic Minority Oversampling Technique for regression (SMOTE-REG) has been employed for the first time for data generation. Deep neural network is further applied to develop regression model which demonstrated the well performed prediction on both the original and generated data with a similar distribution. The prediction model is further validated with additional experimental data, showing accurate prediction results. Additionally, Local Interpretable Model-Agnostic Explanations (LIME) is used to interpret the weight for each variable, which corresponds to its importance towards the target dimension, which is approved to be well correlated well with experimental observations.