Controlling risks of AI in chemical science with agents

arXiv:2312.06632 · cs.AI · Submitted 2023-12-11 · Read on arXiv

cs.AI

Submitted: 2023-12-11

Updated: 2026-09-20

Journal ref: AI Sci. 1 015002 (2025)

DOI: 10.1088/3050-287X/adfee5

Code: https://github.com/SciMT/SciMT-benchmark

License: http://arxiv.org/licenses/nonexclusive-distrib/1.0/

Terminology

• Benchmark — 17× in this paper · explained in 2 episodes
• Artificial Intelligence — 13× in this paper
• Alignment — 10× in this paper · explained in 1 episode
• Transformer — 6× in this paper · explained in 2 episodes
• Hallucination — 4× in this paper · explained in 4 episodes
• LLM judge — 4× in this paper · explained in 2 episodes
• Large Language Models (LLMs) — 4× in this paper · explained in 6 episodes
• Accountability — 3× in this paper · explained in 2 episodes
• Chain of Thought — 3× in this paper
• Accuracy — 2× in this paper · explained in 1 episode
• Artificial Intelligence (AI) — 2× in this paper · explained in 2 episodes
• Core — 2× in this paper · explained in 2 episodes
• Generative AI — 2× in this paper · explained in 2 episodes
• Generative Model — 2× in this paper · explained in 2 episodes
• Reinforcement Learning — 2× in this paper · explained in 4 episodes
• Representation Learning — 2× in this paper · explained in 2 episodes
• Transfer Learning — 2× in this paper · explained in 10 episodes
• Benchmarking — 1× in this paper · explained in 4 episodes
• Chain-of-Thought Prompting — 1× in this paper · explained in 2 episodes
• Consistency — 1× in this paper · explained in 3 episodes
• Cosine Similarity — 1× in this paper · explained in 3 episodes
• Deep Reinforcement Learning — 1× in this paper · explained in 2 episodes
• Food and Drug Administration — 1× in this paper
• Foundation Model — 1× in this paper · explained in 3 episodes
• Foundation Models — 1× in this paper · explained in 7 episodes
• Generative Models — 1× in this paper · explained in 3 episodes
• LLM-as-a-Judge — 1× in this paper · explained in 3 episodes
• Robustness — 1× in this paper · explained in 5 episodes

Sources

• Artificial intelligence and biological misuse: Differentiating risks of language models and biological design tools
• Chameleon: Plug-and-Play Compositional Reasoning with Large Language Models
• ChemCrow: Augmenting large-language models with chemistry tools
• The Impact of Large Language Models on Scientific Discovery: a Preliminary Study using GPT-4
• From Instructions to Intrinsic Human Values -- A Survey of Alignment Goals for Big Models
• ReAct: Synergizing Reasoning and Acting in Language Models
• SafetyBench: Evaluating the Safety of Large Language Models
• BBQ: A Hand-Built Bias Benchmark for Question Answering
• A General Language Assistant as a Laboratory for Alignment
• Judging LLM-as-a-Judge with MT-Bench and Chatbot Arena
• Will releasing the weights of future large language models grant widespread access to pandemic agents?
• A Survey on Hallucination in Large Language Models: Principles, Taxonomy, Challenges, and Open Questions

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