Related papers: MatPilot: an LLM-enabled AI Materials Scientist un…
Artificial intelligence (AI) tools such as large language models (LLMs) are already altering student learning. Unlike previous technologies, LLMs can independently solve problems regardless of student understanding, yet are not always…
Large language models (LLMs) are catalyzing the development of autonomous AI research agents for scientific and engineering discovery. We present FM Agent, a novel and general-purpose multi-agent framework that leverages a synergistic…
Catalysts are essential for accelerating chemical reactions and enhancing selectivity, which is crucial for the sustainable production of energy, materials, and bioactive compounds. Catalyst discovery is fundamental yet challenging in…
In recent times, the grandeur of Large Language Models (LLMs) has not only shone in the realm of natural language processing but has also cast its brilliance across a vast array of applications. This remarkable display of LLM capabilities…
Discovering materials with desirable properties in an efficient way remains a significant problem in materials science. Many studies have tackled this problem by using different sets of information available about the materials. Among them,…
Large language models (LLMs) have reshaped the research landscape by enabling new approaches to knowledge retrieval and creative ideation. Yet their application in discipline-specific experimental science, particularly in highly…
Artificial intelligence is reshaping scientific exploration, but most methods automate procedural tasks without engaging in scientific reasoning, limiting autonomy in discovery. We introduce Materials Agents for Simulation and Theory in…
Large Multimodal Models (LMMs) have shown strong potential for assisting users in tasks, such as programming, content creation, and information access, yet their interaction remains largely limited to traditional interfaces such as desktops…
With the development of artificial intelligence (AI), large language models (LLM) are widely used in many fields. However, the reasoning ability of LLM is still very limited when it comes to mathematical reasoning. Mathematics plays an…
Advanced scientific user facilities, such as next generation X-ray light sources and self-driving laboratories, are revolutionizing scientific discovery by automating routine tasks and enabling rapid experimentation and characterizations.…
Accelerated material discovery increasingly relies on artificial intelligence and machine learning, collectively termed "AI/ML". A key challenge in using AI is ensuring that human scientists trust the models are valid and reliable.…
We present the Open MatSci ML Toolkit: a flexible, self-contained, and scalable Python-based framework to apply deep learning models and methods on scientific data with a specific focus on materials science and the OpenCatalyst Dataset. Our…
The rapid advancement of Large Language Models (LLMs) has revolutionized various sectors by automating routine tasks, marking a step toward the realization of Artificial General Intelligence (AGI). However, they still struggle to…
Artificial intelligence (AI) is transforming the practice of science. Machine learning and large language models (LLMs) can generate hypotheses at a scale and speed far exceeding traditional methods, offering the potential to accelerate…
Describing skills in natural language has the potential to provide an accessible way to inject human knowledge about decision-making into an AI system. We present MaestroMotif, a method for AI-assisted skill design, which yields…
The rapid development of artificial intelligence (AI), marked by breakthroughs like 'AlphaEvolve' and 'Gemini Deep Think', is beginning to offer powerful new tools that have the potential to significantly alter the research practice in many…
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,…
Artificial intelligence is reshaping scientific discovery, yet its use in materials research remains limited by fragmented computational ecosystems, reproducibility challenges, and dependence on commercial large language models (LLMs). Here…
The advent of large language models (LLMs) such as ChatGPT, PaLM, and GPT-4 has catalyzed remarkable advances in natural language processing, demonstrating human-like language fluency and reasoning capacities. This position paper introduces…
This paper presents a comprehensive overview on the applications of artificial intelligence (AI) in mathematical research, highlighting the transformative role AI has begun to play in this domain. Traditionally, AI advancements have heavily…