This research explores the integration of large language models (LLMs) into scientific data assimilation, focusing on combustion science as a case study. Leveraging foundational models integrated with Retrieval-Augmented Generation (RAG) framework, the study introduces an approach to process diverse combustion research data, spanning experimental studies, simulations, and literature. The multifaceted nature of combustion research emphasizes the critical role of knowledge processing in navigating and extracting valuable information from a vast and diverse pool of sources. The developed approach minimizes computational and economic expenses while optimizing data privacy and accuracy. It incorporates prompt engineering and offline open-source LLMs, offering user autonomy in selecting base models. The study provides a thorough examination of text segmentation strategies, conducts comparative studies between LLMs, and explores various optimized prompts to demonstrate the effectiveness of the framework. By incorporating an external database, the framework outperforms a conventional LLM in generating accurate responses and constructing robust arguments. Additionally, the study delves into the investigation of optimized prompt templates for the purpose of efficient extraction of scientific literature. The research addresses concerns related to hallucinations and false research articles by introducing a custom workflow developed with a detection algorithm to filter out inaccuracies. Despite identified areas for improvement, the framework consistently delivers accurate domain-specific responses with minimal human oversight. The prompt-agnostic approach introduced holds promise for future deliberations. The study underscores the significance of integrating LLMs and knowledge processing techniques in scientific research, providing a foundation for advancements in data assimilation and utilization.

This paper introduces a novel operator, termed the Y operator, to elevate control performance in Actor-Critic(AC) based reinforcement learning for systems governed by stochastic differential equations(SDEs). The Y operator ingeniously integrates the stochasticity of a class of child-mother system into the Critic network's loss function, yielding substantial advancements in the control performance of RL algorithms.Additionally, the Y operator elegantly reformulates the challenge of solving partial differential equations for the state-value function into a parallel problem for the drift and diffusion functions within the system's SDEs.A rigorous mathematical proof confirms the operator's validity.This transformation enables the Y Operator-based Reinforcement Learning(YORL) framework to efficiently tackle optimal control problems in both model-based and data-driven systems.The superiority of YORL is demonstrated through linear and nonlinear numerical examples showing its enhanced performance over existing methods post convergence.

It's been hard recently to think about anything other than the wars and humanitarian crises raging around the world. Climate change has left its mark in what was almost certainly the hottest year in human history--there were unprecedented heat waves, intensified forest fires, torrential rain, and floods like those in Libya that caused devastation after two dams burst. But this has not stopped scientists, innovators, and decisionmakers from working on solutions to our biggest societal challenges--with success. Here is a collection of uplifting news to come out of 2023. In an instant, millions of volts can damage buildings, spark fires, and harm people--unless the lightning can be redirected.

Large language models (LLMs) have achieved huge success for their general knowledge and ability to solve a wide spectrum of tasks in natural language processing (NLP). Due to their impressive abilities, LLMs have shed light on potential inter-discipline applications to foster scientific discoveries of a specific domain by using artificial intelligence (AI for science, AI4S). In the meantime, utilizing NLP techniques in geoscience research and practice is wide and convoluted, contributing from knowledge extraction and document classification to question answering and knowledge discovery. In this work, we take the initial step to leverage LLM for science, through a rather straightforward approach. We try to specialize an LLM into geoscience, by further pre-training the model with a vast amount of texts in geoscience, as well as supervised fine-tuning (SFT) the resulting model with our custom collected instruction tuning dataset. These efforts result in a model GeoGalactica consisting of 30 billion parameters. To our best knowledge, it is the largest language model for the geoscience domain. More specifically, GeoGalactica is from further pre-training of Galactica. We train GeoGalactica over a geoscience-related text corpus containing 65 billion tokens curated from extensive data sources in the big science project Deep-time Digital Earth (DDE), preserving as the largest geoscience-specific text corpus. Then we fine-tune the model with 1 million pairs of instruction-tuning data consisting of questions that demand professional geoscience knowledge to answer. In this technical report, we will illustrate in detail all aspects of GeoGalactica, including data collection, data cleaning, base model selection, pre-training, SFT, and evaluation. We open-source our data curation tools and the checkpoints of GeoGalactica during the first 3/4 of pre-training.

Large Lanugage Models (LLMs) are gaining increasing popularity in a variety of use cases, from language understanding and writing to assistance in application development. One of the most important aspects for optimal funcionality of LLMs is embedding layers. Word embeddings are distributed representations of words in a continuous vector space. In the context of LLMs, words or tokens from the input text are transformed into high-dimensional vectors using unique algorithms specific to the model. Our research examines the embedding algorithms from leading companies in the industry, such as OpenAI, Google's PaLM, and BERT. Using medical data, we have analyzed similarity scores of each embedding layer, observing differences in performance among each algorithm. To enhance each model and provide an additional encoding layer, we also implemented Siamese Neural Networks. After observing changes in performance with the addition of the model, we measured the carbon footage per epoch of training. The carbon footprint associated with large language models (LLMs) is a significant concern, and should be taken into consideration when selecting algorithms for a variety of use cases. Overall, our research compared the accuracy different, leading embedding algorithms and their carbon footage, allowing for a holistic review of each embedding algorithm.

Accurate air quality forecasting is crucial for public health, environmental monitoring and protection, and urban planning. However, existing methods fail to effectively utilize multi-scale information, both spatially and temporally. Spatially, there is a lack of integration between individual monitoring stations and city-wide scales. Temporally, the periodic nature of air quality variations is often overlooked or inadequately considered. To address these limitations, we present a novel Multi-spatial Multi-temporal air quality forecasting method based on Graph Convolutional Networks and Gated Recurrent Units (M2G2), bridging the gap in air quality forecasting across spatial and temporal scales. The proposed framework consists of two modules: Multi-scale Spatial GCN (MS-GCN) for spatial information fusion and Multi-scale Temporal GRU(MT-GRU) for temporal information integration. In the spatial dimension, the MS-GCN module employs a bidirectional learnable structure and a residual structure, enabling comprehensive information exchange between individual monitoring stations and the city-scale graph. Regarding the temporal dimension, the MT-GRU module adaptively combines information from different temporal scales through parallel hidden states. Leveraging meteorological indicators and four air quality indicators, we present comprehensive comparative analyses and ablation experiments, showcasing the higher accuracy of M2G2 in comparison to nine currently available advanced approaches across all aspects. The improvements of M2G2 over the second-best method on RMSE of the 24h/48h/72h are as follows: PM2.5: (7.72%, 6.67%, 10.45%); PM10: (6.43%, 5.68%, 7.73%); NO2: (5.07%, 7.76%, 16.60%); O3: (6.46%, 6.86%, 9.79%). Furthermore, we demonstrate the effectiveness of each module of M2G2 by ablation study.

Theoretical studies on chemical reaction mechanisms have been crucial in organic chemistry. Traditionally, calculating the manually constructed molecular conformations of transition states for chemical reactions using quantum chemical calculations is the most commonly used method. However, this way is heavily dependent on individual experience and chemical intuition. In our previous study, we proposed a research paradigm that uses enhanced sampling in QM/MM molecular dynamics simulations to study chemical reactions. This approach can directly simulate the entire process of a chemical reaction. However, the computational speed limits the use of high-precision potential energy functions for simulations. To address this issue, we present a scheme for training high-precision force fields for molecular modeling using our developed graph-neural-network-based molecular model, molecular configuration transformer. This potential energy function allows for highly accurate simulations at a low computational cost, leading to more precise calculations of the mechanism of chemical reactions. We have used this approach to study a Cope rearrangement reaction and a Carbonyl insertion reaction catalyzed by Manganese. This "AI+Physics" based simulation approach is expected to become a new trend in the theoretical study of organic chemical reaction mechanisms.

The limited energy and computing resources of unmanned aerial vehicles (UAVs) hinder the application of aerial artificial intelligence. The utilization of split inference in UAVs garners significant attention due to its effectiveness in mitigating computing and energy requirements. However, achieving energy-efficient split inference in UAVs remains complex considering of various crucial parameters such as energy level and delay constraints, especially involving multiple tasks. In this paper, we present a two-timescale approach for energy minimization in split inference, where discrete and continuous variables are segregated into two timescales to reduce the size of action space and computational complexity. This segregation enables the utilization of tiny reinforcement learning (TRL) for selecting discrete transmission modes for sequential tasks. Moreover, optimization programming (OP) is embedded between TRL's output and reward function to optimize the continuous transmit power. Specifically, we replace the optimization of transmit power with that of transmission time to decrease the computational complexity of OP since we reveal that energy consumption monotonically decreases with increasing transmission time. The replacement significantly reduces the feasible region and enables a fast solution according to the closed-form expression for optimal transmit power. Simulation results show that the proposed algorithm can achieve a higher probability of successful task completion with lower energy consumption.

Experimental particle physics uses machine learning for many of tasks, where one application is to classify signal and background events. The classification can be used to bin an analysis region to enhance the expected significance for a mass resonance search. In natural language processing, one of the leading neural network architectures is the transformer. In this work, an event classifier transformer is proposed to bin an analysis region, in which the network is trained with special techniques. The techniques developed here can enhance the significance and reduce the correlation between the network's output and the reconstructed mass. It is found that this trained network can perform better than boosted decision trees and feed-forward networks.

The line coverage problem involves finding efficient routes for the coverage of linear features by one or more resource-constrained robots. Linear features model environments like road networks, power lines, and oil and gas pipelines. Two modes of travel are defined for robots: servicing and deadheading. A robot services a feature if it performs task-specific actions, such as taking images, as it traverses the feature; otherwise, it is deadheading. Traversing the environment incurs costs (e.g., travel time) and demands on resources (e.g., battery life). Servicing and deadheading can have different cost and demand functions, which can be direction-dependent. The environment is modeled as a graph, and an integer linear program is provided. As the problem is NP-hard, we design a fast and efficient heuristic algorithm, Merge-Embed-Merge (MEM). Exploiting the constructive property of the MEM algorithm, algorithms for line coverage of large graphs with multiple depots are developed. Furthermore, turning costs and nonholonomic constraints are efficiently incorporated into the algorithm. The algorithms are benchmarked on road networks and demonstrated in experiments with aerial robots.