LLM4ED: Large Language Models for Automatic Equation DiscoveryMengge Du, Yuntian Chen, Zhongzheng Wang et al.
Equation discovery is aimed at directly extracting physical laws from data and has emerged as a pivotal research domain. Previous methods based on symbolic mathematics have achieved substantial advancements, but often require the design of implementation of complex algorithms. In this paper, we introduce a new framework that utilizes natural language-based prompts to guide large language models (LLMs) in automatically mining governing equations from data. Specifically, we first utilize the generation capability of LLMs to generate diverse equations in string form, and then evaluate the generated equations based on observations. In the optimization phase, we propose two alternately iterated strategies to optimize generated equations collaboratively. The first strategy is to take LLMs as a black-box optimizer and achieve equation self-improvement based on historical samples and their performance. The second strategy is to instruct LLMs to perform evolutionary operators for global search. Experiments are extensively conducted on both partial differential equations and ordinary differential equations. Results demonstrate that our framework can discover effective equations to reveal the underlying physical laws under various nonlinear dynamic systems. Further comparisons are made with state-of-the-art models, demonstrating good stability and usability. Our framework substantially lowers the barriers to learning and applying equation discovery techniques, demonstrating the application potential of LLMs in the field of knowledge discovery.
Promoting AI Equity in Science: Generalized Domain Prompt Learning for Accessible VLM ResearchQinglong Cao, Yuntian Chen, Lu Lu et al.
Large-scale Vision-Language Models (VLMs) have demonstrated exceptional performance in natural vision tasks, motivating researchers across domains to explore domain-specific VLMs. However, the construction of powerful domain-specific VLMs demands vast amounts of annotated data, substantial electrical energy, and computing resources, primarily accessible to industry, yet hindering VLM research in academia. To address this challenge and foster sustainable and equitable VLM research, we present the Generalized Domain Prompt Learning (GDPL) framework. GDPL facilitates the transfer of VLMs' robust recognition capabilities from natural vision to specialized domains, without the need for extensive data or resources. By leveraging small-scale domain-specific foundation models and minimal prompt samples, GDPL empowers the language branch with domain knowledge through quaternion networks, uncovering cross-modal relationships between domain-specific vision features and natural vision-based contextual embeddings. Simultaneously, GDPL guides the vision branch into specific domains through hierarchical propagation of generated vision prompt features, grounded in well-matched vision-language relations. Furthermore, to fully harness the domain adaptation potential of VLMs, we introduce a novel low-rank adaptation approach. Extensive experiments across diverse domains like remote sensing, medical imaging, geology, Synthetic Aperture Radar, and fluid dynamics, validate the efficacy of GDPL, demonstrating its ability to achieve state-of-the-art domain recognition performance in a prompt learning paradigm. Our framework paves the way for sustainable and inclusive VLM research, transcending the barriers between academia and industry.
4.1LGJul 12, 2025
Capturing Unseen Spatial Extremes Through Knowledge-Informed Generative ModelingXinyue Liu, Xiao Peng, Shuyue Yan et al.
Observed records of climate extremes provide an incomplete picture of risk, missing "unseen" extremes that exceed historical bounds. In parallel, neglecting spatial dependence undervalues the risk of synchronized hazards that amplify impacts. To address these challenges, we develop DeepX-GAN (Dependence-Enhanced Embedding for Physical eXtremes - Generative Adversarial Network), a knowledge-informed deep generative model designed to better capture the spatial structure of rare extremes. The zero-shot generalizability of DeepX-GAN enables simulation of unseen extremes that fall outside historical experience yet remain statistically plausible. We define two types of unseen extremes: "checkmate" extremes that directly hit targets, and "stalemate" extremes that narrowly miss. These unrealized scenarios expose latent risks in fragile systems and may reinforce a false sense of resilience if overlooked. Near misses, in particular, can prompt either proactive adaptation or dangerous complacency, depending on how they are interpreted. Applying DeepX-GAN to the Middle East and North Africa (MENA), we find that these unseen extremes disproportionately affect regions with high vulnerability and low socioeconomic readiness, but differ in urgency and interpretation. Future warming could expand and redistribute these unseen extremes, with emerging exposure hotspots in Indo-Pakistan and Central Africa. This distributional shift highlights critical blind spots in conventional hazard planning and underscores the need to develop spatially adaptive policies that anticipate emergent risk hotspots rather than simply extrapolating from historical patterns.
2.6LGJun 7, 2024
When Swarm Learning meets energy series data: A decentralized collaborative learning design based on blockchainLei Xu, Yulong Chen, Yuntian Chen et al.
Machine learning models offer the capability to forecast future energy production or consumption and infer essential unknown variables from existing data. However, legal and policy constraints within specific energy sectors render the data sensitive, presenting technical hurdles in utilizing data from diverse sources. Therefore, we propose adopting a Swarm Learning (SL) scheme, which replaces the centralized server with a blockchain-based distributed network to address the security and privacy issues inherent in Federated Learning (FL)'s centralized architecture. Within this distributed Collaborative Learning framework, each participating organization governs nodes for inter-organizational communication. Devices from various organizations utilize smart contracts for parameter uploading and retrieval. Consensus mechanism ensures distributed consistency throughout the learning process, guarantees the transparent trustworthiness and immutability of parameters on-chain. The efficacy of the proposed framework is substantiated across three real-world energy series modeling scenarios with superior performance compared to Local Learning approaches, simultaneously emphasizing enhanced data security and privacy over Centralized Learning and FL method. Notably, as the number of data volume and the count of local epochs increases within a threshold, there is an improvement in model performance accompanied by a reduction in the variance of performance errors. Consequently, this leads to an increased stability and reliability in the outcomes produced by the model.
4.3CHEM-PHFeb 12, 2022
High-throughput discovery of chemical structure-polarity relationships combining automation and machine learning techniquesHao Xu, Jinglong Lin, Qianyi Liu et al.
As an essential attribute of organic compounds, polarity has a profound influence on many molecular properties such as solubility and phase transition temperature. Thin layer chromatography (TLC) represents a commonly used technique for polarity measurement. However, current TLC analysis presents several problems, including the need for a large number of attempts to obtain suitable conditions, as well as irreproducibility due to non-standardization. Herein, we describe an automated experiment system for TLC analysis. This system is designed to conduct TLC analysis automatically, facilitating high-throughput experimentation by collecting large experimental data under standardized conditions. Using these datasets, machine learning (ML) methods are employed to construct surrogate models correlating organic compounds' structures and their polarity using retardation factor (Rf). The trained ML models are able to predict the Rf value curve of organic compounds with high accuracy. Furthermore, the constitutive relationship between the compound and its polarity can also be discovered through these modeling methods, and the underlying mechanism is rationalized through adsorption theories. The trained ML models not only reduce the need for empirical optimization currently required for TLC analysis, but also provide general guidelines for the selection of conditions, making TLC an easily accessible tool for the broad scientific community.