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Predicting enzymatic reactions is crucial for applications in biocatalysis, metabolic engineering, and drug discovery, yet it remains a complex and resource-intensive task. Large Language Models (LLMs) have recently demonstrated remarkable…
Recent regulatory initiatives like the European AI Act and relevant voices in the Machine Learning (ML) community stress the need to describe datasets along several key dimensions for trustworthy AI, such as the provenance processes and…
Large Language Models (LLMs) have shown remarkable performance on general Question Answering (QA), yet they often struggle in domain-specific scenarios where accurate and up-to-date information is required. Retrieval-Augmented Generation…
Large language models and autonomous AI agents have evolved rapidly, resulting in a diverse array of evaluation benchmarks, frameworks, and collaboration protocols. Driven by the growing need for standardized evaluation and integration, we…
For a long time, humanity has pursued artificial intelligence (AI) equivalent to or surpassing the human level, with AI agents considered a promising vehicle for this pursuit. AI agents are artificial entities that sense their environment,…
Context: Manual qualitative data analysis is time-intensive and can compromise validity and replicability, affecting analysis design, implementation, and reporting. Large Language Models (LLMs) enable human-bot collaboration in Software…
Large Language Models (LLMs) have demonstrated remarkable success in conversational systems by generating human-like responses. However, they can fall short, especially when required to account for personalization or specific knowledge. In…
Inspired by the insights in cognitive science with respect to human memory and reasoning mechanism, a novel evolvable LLM-based (Large Language Model) agent framework is proposed as REMEMBERER. By equipping the LLM with a long-term…
In our study, we evaluated large language model (LLM) performance on pharmacy licensure-style question-answering tasks and developed an external knowledge integration method to improve accuracy. We benchmarked ten LLMs with varying…
While Large Language Model (LLM)-based agents can be used to create highly engaging interactive applications through prompting personality traits and contextual data, effectively assessing their personalities has proven challenging. This…
Therapeutic development is a costly and high-risk endeavor that is often plagued by high failure rates. To address this, we introduce TxGemma, a suite of efficient, generalist large language models (LLMs) capable of therapeutic property…
Recommender systems are essential components of many online platforms, yet traditional approaches still struggle with understanding complex user preferences and providing explainable recommendations. The emergence of Large Language Model…
Molecular optimization is a crucial yet complex and time-intensive process that often acts as a bottleneck for drug development. Traditional methods rely heavily on trial and error, making multi-objective optimization both time-consuming…
The performance of large language models (LLMs) depends on how they are prompted, with choices spanning both the high-level prompting pattern (e.g., Zero-Shot, CoT, ReAct, ReWOO) and the specific prompt content (instructions and few-shot…
On-demand Polymer discovery is essential for various industries, ranging from biomedical to reinforcement materials. Experiments with polymers have a long trial-and-error process, leading to use of extensive resources. For these processes,…
Large language models (LLMs) serve as an active and promising field of generative artificial intelligence and have demonstrated abilities to perform complex tasks in multiple domains, including mathematical and scientific reasoning. In this…
Retrieval-Augmented Language Models (RALMs) represent a classic paradigm where models enhance generative capabilities using external knowledge retrieved via a specialized module. Recent advancements in Agent techniques enable Large Language…
We show that large language model (LLMs) can be transformed via supervised fine-tuning (SFT) of engineered prompts into SmileyLlama for exploring the chemical space of drug molecules. We benchmark SmileyLlama against pre-trained LLMs and…
Recent developments in large language models (LLMs) have led to significant improvements in intelligent dialogue systems'ability to handle complex inquiries. However, current LLMs still exhibit limitations in specialized domain knowledge,…
Background: Conducting Multi Vocal Literature Reviews (MVLRs) is often time and effort-intensive. Researchers must review and filter a large number of unstructured sources, which frequently contain sparse information and are unlikely to be…