相关论文: LEAP: A closed-loop framework for perovskite precu…

Large Language Models (LLMs) show remarkable potential for few-shot information extraction (IE), yet their performance is highly sensitive to the choice of in-context examples. Conventional selection strategies often fail to provide…

Large Language Model (LLM)-based scientific agents have accelerated scientific discovery, yet they often suffer from significant inefficiencies due to adherence to fixed initial priors. Existing approaches predominantly operate within a…

LLM architecture research generally aims to maximize model quality subject to fixed compute/latency budgets. However, many applications of interest such as edge and on-device deployment are further constrained by the model's memory…

Accurate structural relaxation is critical for advanced materials design. Traditional approaches built on physics-derived first-principles calculations are computationally expensive, motivating the creation of machine-learning interatomic…

Large Language Models (LLMs) have demonstrated remarkable potential in handling complex reasoning tasks by generating step-by-step rationales.Some methods have proven effective in boosting accuracy by introducing extra verifiers to assess…

Leveraging new data sources is a key step in accelerating the pace of materials design and discovery. To complement the strides in synthesis planning driven by historical, experimental, and computed data, we present an automated method for…

Dynamically configuring algorithm hyperparameters is a fundamental challenge in computational intelligence. While learning-based methods offer automation, they suffer from prohibitive sample complexity and poor generalization. We introduce…

Mixed-Precision Quantization (MPQ) liberates Deep Neural Networks (DNNs) from the Out-Of-Memory (OOM) bottleneck and has garnered increasing research attention. However, conventional methods either rely on costly differentiable optimization…

The meeting of artificial intelligence (AI) and quantum computing is already a reality; quantum machine learning (QML) promises the design of better regression models. In this work, we extend our previous studies of materials discovery…

Strategies for machine-learning(ML)-accelerated discovery that are general across materials composition spaces are essential, but demonstrations of ML have been primarily limited to narrow composition variations. By addressing the scarcity…

We introduce a novel large language model (LLM)-driven agent framework, which iteratively refines queries and filters contextual evidence by leveraging dynamically evolving knowledge. A defining feature of the system is its decoupling of…

Extreme learning machine (ELM) as a neural network algorithm has shown its good performance, such as fast speed, simple structure etc, but also, weak robustness is an unavoidable defect in original ELM for blended data. We present a new…

Machine translation is indispensable in healthcare for enabling the global dissemination of medical knowledge across languages. However, complex medical terminology poses unique challenges to achieving adequate translation quality and…

Vision-language models (VLMs) have demonstrated exceptional generalization capabilities for downstream tasks. Due to its efficiency, prompt learning has gradually become a more effective and efficient method for transferring VLMs to…

Mixture-of-Experts (MoE) architectures enhance the efficiency of large language models by activating only a subset of experts per token. However, standard MoE employs a fixed Top-K routing strategy, leading to redundant computation and…

Large language models (LLMs) excel at language understanding and generation, but their enormous computational and memory requirements hinder deployment. Compression offers a potential solution to mitigate these constraints. However, most…

Large Language Models (LLMs) are increasingly utilized in scientific research assessment, particularly in automated paper review. However, existing LLM-based review systems face significant challenges, including limited domain expertise,…

Retrosynthesis, the process of breaking down a target molecule into simpler precursors through a series of valid reactions, stands at the core of organic chemistry and drug development. Although recent machine learning (ML) research has…

Multi-robot SLAM systems in GPS-denied environments require loop closures to maintain a drift-free centralized map. With an increasing number of robots and size of the environment, checking and computing the transformation for all the loop…

Alloy-based perovskite solar cells offer tunable properties and improved stability, but their complexity has impeded accurate modeling, hindering development. We present a machine-learning (ML) accelerated atomistic modeling approach for…