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Large Language Model (LLM) Agents are an emerging computing paradigm that blends generative machine learning with tools such as code interpreters, web browsing, email, and more generally, external resources. These agent-based systems…

Designing proteins de novo with tailored structural, physicochemical, and functional properties remains a grand challenge in biotechnology, medicine, and materials science, due to the vastness of sequence space and the complex coupling…

Large language models (LLMs) have achieved great success in many fields, and recent works have studied exploring LLMs for graph discriminative tasks such as node classification. However, the abilities of LLMs for graph generation remain…

Large Language Models have recently gained significant attention in scientific discovery for their extensive knowledge and advanced reasoning capabilities. However, they encounter challenges in effectively simulating observational feedback…

Large language models (LLMs) showcase increasingly impressive English benchmark scores, however their performance profiles remain inconsistent across multilingual settings. To address this gap, we introduce PolyPrompt, a novel,…

Large Language Models (LLMs) have demonstrated significant promise in automating software development tasks, yet their capabilities with respect to software design tasks remains largely unclear. This study investigates the capabilities of…

Large Language Models (LLMs) have the potential to revolutionize automated traceability by overcoming the challenges faced by previous methods and introducing new possibilities. However, the optimal utilization of LLMs for automated…

We present LL3M, a multi-agent system that leverages pretrained large language models (LLMs) to generate 3D assets by writing interpretable Python code in Blender. We break away from the typical generative approach that learns from a…

Transformer neural networks show promising capabilities, in particular for uses in materials analysis, design and manufacturing, including their capacity to work effectively with both human language, symbols, code, and numerical data. Here…

Large Language Models (LLMs) like GPT-4 have revolutionized natural language processing, showing remarkable linguistic proficiency and reasoning capabilities. However, their application in strategic multi-agent decision-making environments…

Large language models (LLMs) are increasingly applied to scientific research, yet prevailing science benchmarks probe decontextualized knowledge and overlook the iterative reasoning, hypothesis generation, and observation interpretation…

Decision conferences are structured, collaborative meetings that bring together experts from various fields to address complex issues and reach a consensus on recommendations for future actions or policies. These conferences often rely on…

Despite their ability to understand chemical knowledge, large language models (LLMs) remain limited in their capacity to propose novel molecules with desired functions (e.g., drug-like properties). In addition, the molecules that LLMs…

Large language models (LLMs) are increasingly applied to materials science questions, including literature comprehension, property prediction, materials discovery and alloy design. At the same time, a wide range of physics-based…

Large Language Models (LLMs) have emerged as coding assistants, capable of generating source code from natural language prompts. With the increasing adoption of LLMs in software development, academic research and industry based projects are…

Large Language Models (LLMs) are increasingly integrated into everyday applications, but their prevalent cloud-based deployment raises growing concerns around data privacy and long-term sustainability. Running LLMs locally on mobile and…

The substantial data volumes encountered in modern particle physics and other domains of fundamental physics research allow (and require) the use of increasingly complex data analysis tools and workflows. While the use of machine learning…

We present Prover Agent, a novel AI agent for automated theorem proving that integrates large language models (LLMs) with a formal proof assistant, Lean. Prover Agent coordinates an informal reasoning LLM, a formal prover model, and…

Cold-chain storage limits access to insulin for hundreds of millions of people; a thermally protective patch polymer could help, but the design space is too large for exhaustive experiment. Starting from that problem, we narrow to an…

In the pursuit of efficient automated content creation, procedural generation, leveraging modifiable parameters and rule-based systems, emerges as a promising approach. Nonetheless, it could be a demanding endeavor, given its intricate…