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Large Language Models are being increasingly deployed as the decision-making core of autonomous agents capable of effecting change in external environments. Yet, in conversational benchmarks, which simulate real-world customer-centric issue…

Large Language Model (LLM) agents are rapidly improving to handle increasingly complex web-based tasks. Most of these agents rely on general-purpose, proprietary models like GPT-4 and focus on designing better prompts to improve their…

Advancements in large language models (LLMs) allow them to address diverse questions using human-like interfaces. Still, limitations in their training prevent them from answering accurately in scenarios that could benefit from multiple…

The discovery of novel small molecule drugs remains a critical scientific challenge with far-reaching implications for treating diseases and advancing human health. Traditional drug development--especially for small molecule…

Large language models (LLMs) have shown impressive capabilities in code generation. However, because most LLMs are trained on public domain corpora, directly applying them to real-world software development often yields low success rates,…

With the advancement of web techniques, they have significantly revolutionized various aspects of people's lives. Despite the importance of the web, many tasks performed on it are repetitive and time-consuming, negatively impacting overall…

Materials discovery relies on high-throughput, high-fidelity simulation techniques such as Density Functional Theory (DFT), which require years of training, extensive parameter fine-tuning and systematic error handling. To address these…

Diffusion Language Models (DLMs) have emerged as a promising new paradigm for text generative modeling, potentially addressing limitations of autoregressive (AR) models. However, current DLMs have been studied at a smaller scale compared to…

Scientific workflows in computational chemistry and materials science typically involve multiple interdependent steps, such as model preparation, system construction, simulation execution, and data analysis, that researchers have refined…

Multi-Modal Large Language Models (MLLMs), despite being successful, exhibit limited generality and often fall short when compared to specialized models. Recently, LLM-based agents have been developed to address these challenges by…

Large language models (LLMs) have emerged as powerful tools in chemistry, significantly impacting molecule design, property prediction, and synthesis optimization. This review highlights LLM capabilities in these domains and their potential…

Recent advances in large language models (LLMs) have inspired new paradigms for document reranking. While this paradigm better exploits the reasoning and contextual understanding capabilities of LLMs, most existing LLM-based rerankers rely…

The rapid advancement of Large Language Models (LLMs) has driven novel applications across diverse domains, with LLM-based agents emerging as a crucial area of exploration. This survey presents a comprehensive analysis of LLM-based agents…

Microfluidic devices have emerged as powerful tools in various laboratory applications, but the complexity of their design limits accessibility for many practitioners. While progress has been made in microfluidic design automation (MFDA), a…

Large language models (LLMs) are revolutionizing self driving laboratories (SDLs) for materials research, promising unprecedented acceleration of scientific discovery. However, current SDL implementations rely on rigid protocols that fail…

Pharmaceutical three-dimensional (3D) printing is an advanced fabrication technology with the potential to enable truly personalised dosage forms. Recent studies have integrated artificial intelligence (AI) to accelerate formulation and…

Document Question Answering (DocQA) is a very common task. Existing methods using Large Language Models (LLMs) or Large Vision Language Models (LVLMs) and Retrieval Augmented Generation (RAG) often prioritize information from a single…

Computational fluid dynamics (CFD) has been the main workhorse of computational physics. Yet its steep learning curve and fragmented, multi-stage workflow create significant barriers. To address these challenges, we present Foam-Agent, a…

Large Language Models (LLMs) based agents are transforming the programming language landscape by facilitating learning for beginners, enabling code generation, and optimizing documentation workflows. Hardware Description Languages (HDLs),…

Tables, figures, and listings (TFLs) are essential tools for summarizing clinical trial data. Creation of TFLs for reporting activities is often a time-consuming task encountered routinely during the execution of clinical trials. This study…