A Triumvirate of AI Driven Theoretical Discovery

Mathematics is one of the most powerful conceptual systems developed and used by the human species. Dreams of automated mathematicians have a storied history in artificial intelligence (AI). Rapid progress in AI, particularly propelled by advances in large language models (LLMs), has sparked renewed, widespread interest in building such systems. In this work, we reflect on these goals from a \textit{cognitive science} perspective. We call attention to several classical and on...

The dream of building machines that can do science has inspired scientists for decades. Remarkable advances have been made recently; however, we are still far from achieving this goal. In this paper, we focus on the scientific discovery process where a high level of reasoning and remarkable problem-solving ability are required. We review different machine learning techniques used in scientific discovery with their limitations. We survey and discuss the main principles driving...

The paper surveys automated scientific discovery, from equation discovery and symbolic regression to autonomous discovery systems and agents. It discusses the individual approaches from a "big picture" perspective and in context, but also discusses open issues and recent topics like the various roles of deep neural networks in this area, aiding in the discovery of human-interpretable knowledge. Further, we will present closed-loop scientific discovery systems, starting with t...

We review the recent programme of using machine-learning to explore the landscape of mathematical problems. With this paradigm as a model for human intuition - complementary to and in contrast with the more formalistic approach of automated theorem proving - we highlight some experiments on how AI helps with conjecture formulation, pattern recognition and computation.

In the words of the esteemed mathematician Paul Erd\"os, the mathematician's task is to \emph{prove and conjecture}. These two processes form the bedrock of all mathematical endeavours, and in the recent years, the mathematical community has increasingly sought the assistance of computers to bolster these tasks. This paper is a testament to that pursuit; it presents a robust framework enabling a computer to automatically generate conjectures - particularly those conjectures t...

These informal notes are based on the author's lecture at the National Academies of Science, Engineering, and Mathematics workshop on "AI to Assist Mathematical Reasoning" in June 2023. The goal is to think through a path by which we might arrive at AI that is useful for the research mathematician.

Computation is central to contemporary mathematics. Many accept that we can acquire genuine mathematical knowledge of the Four Color Theorem from Appel and Haken's program insofar as it is simply a repetitive application of human forms of mathematical reasoning. Modern LLMs / DNNs are, by contrast, opaque to us in significant ways, and this creates obstacles in obtaining mathematical knowledge from them. We argue, however, that if a proof-checker automating human forms of pro...

Recent advances in computing have changed not only the nature of mathematical computation, but mathematical proof and inquiry itself. While artificial intelligence and formalized mathematics have been the major topics of this conversation, this paper explores another class of tools for advancing mathematics research: databases of mathematical objects that enable semantic search. In addition to defining and exploring examples of these tools, we illustrate a particular line of ...

Over the last decades, a class of important mathematical results have required an ever increasing amount of human effort to carry out. For some, the help of computers is now indispensable. We analyze the implications of this trend towards "big mathematics", its relation to human cognition, and how machine support for big math can be organized. The central contribution of this position paper is an information model for "doing mathematics", which posits that humans very efficie...

In this essay, I argue that mathematics is a natural science---just like physics, chemistry, or biology---and that this can explain the alleged "unreasonable" effectiveness of mathematics in the physical sciences. The main challenge for this view is to explain how mathematical theories can become increasingly abstract and develop their own internal structure, whilst still maintaining an appropriate empirical tether that can explain their later use in physics. In order to addr...