This tutorial investigates the convergence of statistical mechanics and learning theory, elucidating the potential enhancements in machine learning methodologies through the integration of foundational principles from physics. The tutorial delves into advanced techniques like entropy, free energy, and variational inference which are utilized in machine learning, illustrating their significant contributions to model efficiency and robustness. By bridging these scientific disciplines, we aspire to inspire newer methodologies in researches, demonstrating how an in-depth comprehension of physical systems' behavior can yield more effective and dependable machine learning models, particularly in contexts characterized by uncertainty.

Rapid development of artificial intelligence has drastically accelerated the development of scientific discovery. Trained with large-scale observation data, deep neural networks extract the underlying patterns in an end-to-end manner and assist human researchers with highly-precised predictions in unseen scenarios. The recent rise of Large Language Models (LLMs) and the empowered autonomous agents enable scientists to gain help through interaction in different stages of their research, including but not limited to literature review, research ideation, idea implementation, and academic writing. However, AI researchers instantiated by foundation model empowered agents with full-process autonomy are still in their infancy. In this paper, we study $\textbf{AI-Generated Science}$ (AIGS), where agents independently and autonomously complete the entire research process and discover scientific laws. By revisiting the definition of scientific research, we argue that $\textit{falsification}$ is the essence of both human research process and the design of an AIGS system. Through the lens of falsification, prior systems attempting towards AI-Generated Science either lack the part in their design, or rely heavily on existing verification engines that narrow the use in specialized domains. In this work, we propose Baby-AIGS as a baby-step demonstration of a full-process AIGS system, which is a multi-agent system with agents in roles representing key research process. By introducing FalsificationAgent, which identify and then verify possible scientific discoveries, we empower the system with explicit falsification. Experiments on three tasks preliminarily show that Baby-AIGS could produce meaningful scientific discoveries, though not on par with experienced human researchers. Finally, we discuss on the limitations of current Baby-AIGS, actionable insights, and related ethical issues in detail.

Large Language Model (LLM) integrations into applications like Microsoft365 suite and Google Workspace for creating/processing documents, emails, presentations, etc. has led to considerable enhancements in productivity and time savings. But as these integrations become more more complex, it is paramount to ensure that the quality of output from the LLM-integrated applications are relevant and appropriate for use. Identifying the need to develop robust evaluation approaches for natural language generation, wherein references/ground labels doesn't exist or isn't amply available, this paper introduces a novel framework called "SAGEval" which utilizes a critiquing Agent to provide feedback on scores generated by LLM evaluators. We show that the critiquing Agent is able to rectify scores from LLM evaluators, in absence of references/ground-truth labels, thereby reducing the need for labeled data even for complex NLG evaluation scenarios, like the generation of JSON-structured forms/surveys with responses in different styles like multiple choice, likert ratings, single choice questions, etc.

Agent-Based Modelling (ABM) has emerged as an essential tool for simulating social networks, encompassing diverse phenomena such as information dissemination, influence dynamics, and community formation. However, manually configuring varied agent interactions and information flow dynamics poses challenges, often resulting in oversimplified models that lack real-world generalizability. Integrating modern Large Language Models (LLMs) with ABM presents a promising avenue to address these challenges and enhance simulation fidelity, leveraging LLMs' human-like capabilities in sensing, reasoning, and behavior. In this paper, we propose a novel framework utilizing LLM-empowered agents to simulate social network users based on their interests and personality traits. The framework allows for customizable agent interactions resembling various social network platforms, including mechanisms for content resharing and personalized recommendations. We validate our framework using a comprehensive Twitter dataset from the 2020 US election, demonstrating that LLM-agents accurately replicate real users' behaviors, including linguistic patterns and political inclinations. These agents form homogeneous ideological clusters and retain the main themes of their community. Notably, preference-based recommendations significantly influence agent behavior, promoting increased engagement, network homophily and the formation of echo chambers. Overall, our findings underscore the potential of LLM-agents in advancing social media simulations and unraveling intricate online dynamics.

Effective extraction of the world knowledge in LLMs for complex decision-making tasks remains a challenge. We propose a framework PIANIST for decomposing the world model into seven intuitive components conducive to zero-shot LLM generation. Given only the natural language description of the game and how input observations are formatted, our method can generate a working world model for fast and efficient MCTS simulation. We show that our method works well on two different games that challenge the planning and decision making skills of the agent for both language and non-language based action taking, without any training on domain-specific training data or explicitly defined world model.

Large Language Models (LLMs) and Reinforcement Learning (RL) are two powerful approaches for building autonomous agents. However, due to limited understanding of the game environment, agents often resort to inefficient exploration and trial-and-error, struggling to develop long-term strategies or make decisions. We propose a method that extracts experience from interaction records to model the underlying laws of the game environment, using these experience as internal motivation to guide agents. These experience, expressed in language, are highly flexible and can either assist agents in reasoning directly or be transformed into rewards for guiding training. Our evaluation results in Crafter demonstrate that both RL and LLM agents benefit from these experience, leading to improved overall performance.

We introduce a $\phi^{4}$ lattice field theory with frustrated dynamics as a multi-agent system to reproduce stylized facts of financial markets such as fat-tailed distributions of returns and clustered volatility. Each lattice site, represented by a continuous degree of freedom, corresponds to an agent experiencing a set of competing interactions which influence its decision to buy or sell a given stock. These interactions comprise a cooperative term, which signifies that the agent should imitate the behavior of its neighbors, and a fictitious field, which compels the agent instead to conform with the opinion of the majority or the minority. To introduce the competing dynamics we exploit the Markov field structure to pursue a constructive decomposition of the $\phi^{4}$ probability distribution which we recompose with a Ferrenberg-Swendsen acceptance or rejection sampling step. We then verify numerically that the multi-agent $\phi^{4}$ field theory produces behavior observed on empirical data from the FTSE 100 London Stock Exchange index. We conclude by discussing how the presence of continuous degrees of freedom within the $\phi^{4}$ lattice field theory enables a representational capacity beyond that possible with multi-agent systems derived from Ising models.

Recent advancements in Large Language Models (LLMs) have opened new avenues for accelerating drug discovery processes. Despite their potential, several critical challenges remain unsolved, particularly in translating theoretical ideas into practical applications within the highly specialized field of pharmaceutical research, limiting practitioners from leveraging the latest AI development in drug discovery. To this end, we introduce DrugAgent, a multi-agent framework aimed at automating machine learning (ML) programming in drug discovery. DrugAgent incorporates domain expertise by identifying specific requirements and building domain-specific tools, while systematically exploring different ideas to find effective solutions. A preliminary case study demonstrates DrugAgent's potential to overcome key limitations LLMs face in drug discovery, moving toward AI-driven innovation. For example, DrugAgent is able to complete the ML programming pipeline end-to-end, from data acquisition to performance evaluation for the ADMET prediction task, and finally select the best model, where the random forest model achieves an F1 score of 0.92 when predicting absorption using the PAMPA dataset.

We introduce an Implicit Game-Theoretic MPC (IGT-MPC), a decentralized algorithm for two-agent motion planning that uses a learned value function that predicts the game-theoretic interaction outcomes as the terminal cost-to-go function in a model predictive control (MPC) framework, guiding agents to implicitly account for interactions with other agents and maximize their reward. This approach applies to competitive and cooperative multi-agent motion planning problems which we formulate as constrained dynamic games. Given a constrained dynamic game, we randomly sample initial conditions and solve for the generalized Nash equilibrium (GNE) to generate a dataset of GNE solutions, computing the reward outcome of each game-theoretic interaction from the GNE. The data is used to train a simple neural network to predict the reward outcome, which we use as the terminal cost-to-go function in an MPC scheme. We showcase emerging competitive and coordinated behaviors using IGT-MPC in scenarios such as two-vehicle head-to-head racing and un-signalized intersection navigation. IGT-MPC offers a novel method integrating machine learning and game-theoretic reasoning into model-based decentralized multi-agent motion planning.

Federated reinforcement learning (FedRL) enables multiple agents to collaboratively learn a policy without sharing their local trajectories collected during agent-environment interactions. However, in practice, the environments faced by different agents are often heterogeneous, leading to poor performance by the single policy learned by existing FedRL algorithms on individual agents. In this paper, we take a further step and introduce a \emph{personalized} FedRL framework (PFedRL) by taking advantage of possibly shared common structure among agents in heterogeneous environments. Specifically, we develop a class of PFedRL algorithms named PFedRL-Rep that learns (1) a shared feature representation collaboratively among all agents, and (2) an agent-specific weight vector personalized to its local environment. We analyze the convergence of PFedTD-Rep, a particular instance of the framework with temporal difference (TD) learning and linear representations. To the best of our knowledge, we are the first to prove a linear convergence speedup with respect to the number of agents in the PFedRL setting. To achieve this, we show that PFedTD-Rep is an example of the federated two-timescale stochastic approximation with Markovian noise. Experimental results demonstrate that PFedTD-Rep, along with an extension to the control setting based on deep Q-networks (DQN), not only improve learning in heterogeneous settings, but also provide better generalization to new environments.