This tutorial provides a comprehensive survey of methods for fine-tuning diffusion models to optimize downstream reward functions. While diffusion models are widely known to provide excellent generative modeling capability, practical applications in domains such as biology require generating samples that maximize some desired metric (e.g., translation efficiency in RNA, docking score in molecules, stability in protein). In these cases, the diffusion model can be optimized not only to generate realistic samples but also to explicitly maximize the measure of interest. Such methods are based on concepts from reinforcement learning (RL). We explain the application of various RL algorithms, including PPO, differentiable optimization, reward-weighted MLE, value-weighted sampling, and path consistency learning, tailored specifically for fine-tuning diffusion models. We aim to explore fundamental aspects such as the strengths and limitations of different RL-based fine-tuning algorithms across various scenarios, the benefits of RL-based fine-tuning compared to non-RL-based approaches, and the formal objectives of RL-based fine-tuning (target distributions). Additionally, we aim to examine their connections with related topics such as classifier guidance, Gflownets, flow-based diffusion models, path integral control theory, and sampling from unnormalized distributions such as MCMC. The code of this tutorial is available at https://github.com/masa-ue/RLfinetuning_Diffusion_Bioseq

Over the past few years, equation discovery has gained popularity in different fields of science and engineering. However, existing equation discovery algorithms rely on the availability of noisy measurements of the state variables (i.e., displacement {and velocity}). This is a major bottleneck in structural dynamics, where we often only have access to acceleration measurements. To that end, this paper introduces a novel equation discovery algorithm for discovering governing equations of dynamical systems from acceleration-only measurements. The proposed algorithm employs a library-based approach for equation discovery. To enable equation discovery from acceleration-only measurements, we propose a novel Approximate Bayesian Computation (ABC) model that prioritizes parsimonious models. The efficacy of the proposed algorithm is illustrated using {four} structural dynamics examples that include both linear and nonlinear dynamical systems. The case studies presented illustrate the possible application of the proposed approach for equation discovery of dynamical systems from acceleration-only measurements.

How can a scientist use a Reinforcement Learning (RL) algorithm to design experiments over a dynamical system's state space? In the case of finite and Markovian systems, an area called Active Exploration (AE) relaxes the optimization problem of experiments design into Convex RL, a generalization of RL admitting a wider notion of reward. Unfortunately, this framework is currently not scalable and the potential of AE is hindered by the vastness of experiment spaces typical of scientific discovery applications. However, these spaces are often endowed with natural geometries, e.g., permutation invariance in molecular design, that an agent could leverage to improve the statistical and computational efficiency of AE. To achieve this, we bridge AE and MDP homomorphisms, which offer a way to exploit known geometric structures via abstraction. Towards this goal, we make two fundamental contributions: we extend MDP homomorphisms formalism to Convex RL, and we present, to the best of our knowledge, the first analysis that formally captures the benefit of abstraction via homomorphisms on sample efficiency. Ultimately, we propose the Geometric Active Exploration (GAE) algorithm, which we analyse theoretically and experimentally in environments motivated by problems in scientific discovery.

This book aims to provide a graduate-level introduction to advanced topics in Markov chain Monte Carlo (MCMC) algorithms, as applied broadly in the Bayesian computational context. Most, if not all of these topics (stochastic gradient MCMC, non-reversible MCMC, continuous time MCMC, and new techniques for convergence assessment) have emerged as recently as the last decade, and have driven substantial recent practical and theoretical advances in the field. A particular focus is on methods that are scalable with respect to either the amount of data, or the data dimension, motivated by the emerging high-priority application areas in machine learning and AI.

Current approaches to identifying driving heterogeneity face challenges in comprehending fundamental patterns from the perspective of underlying driving behavior mechanisms. The concept of Action phases was proposed in our previous work, capturing the diversity of driving characteristics with physical meanings. This study presents a novel framework to further interpret driving patterns by classifying Action phases in an unsupervised manner. In this framework, a Resampling and Downsampling Method (RDM) is first applied to standardize the length of Action phases. Then the clustering calibration procedure including ''Feature Selection'', ''Clustering Analysis'', ''Difference/Similarity Evaluation'', and ''Action phases Re-extraction'' is iteratively applied until all differences among clusters and similarities within clusters reach the pre-determined criteria. Application of the framework using real-world datasets revealed six driving patterns in the I80 dataset, labeled as ''Catch up'', ''Keep away'', and ''Maintain distance'', with both ''Stable'' and ''Unstable'' states. Notably, Unstable patterns are more numerous than Stable ones. ''Maintain distance'' is the most common among Stable patterns. These observations align with the dynamic nature of driving. Two patterns ''Stable keep away'' and ''Unstable catch up'' are missing in the US101 dataset, which is in line with our expectations as this dataset was previously shown to have less heterogeneity. This demonstrates the potential of driving patterns in describing driving heterogeneity. The proposed framework promises advantages in addressing label scarcity in supervised learning and enhancing tasks such as driving behavior modeling and driving trajectory prediction.

Reinforcement Learning (RL) serves as a versatile framework for sequential decision-making, finding applications across diverse domains such as robotics, autonomous driving, recommendation systems, supply chain optimization, biology, mechanics, and finance. The primary objective in these applications is to maximize the average reward. Real-world scenarios often necessitate adherence to specific constraints during the learning process. This monograph focuses on the exploration of various model-based and model-free approaches for Constrained RL within the context of average reward Markov Decision Processes (MDPs). The investigation commences with an examination of model-based strategies, delving into two foundational methods - optimism in the face of uncertainty and posterior sampling. Subsequently, the discussion transitions to parametrized model-free approaches, where the primal-dual policy gradient-based algorithm is explored as a solution for constrained MDPs. The monograph provides regret guarantees and analyzes constraint violation for each of the discussed setups. For the above exploration, we assume the underlying MDP to be ergodic. Further, this monograph extends its discussion to encompass results tailored for weakly communicating MDPs, thereby broadening the scope of its findings and their relevance to a wider range of practical scenarios.

Sentiment analysis (SA), is an approach of natural language processing (NLP) for determining a text's emotional tone by analyzing subjective information such as views, feelings, and attitudes toward specific topics, products, services, events, or experiences. This study attempts to develop an advanced deep learning (DL) model for SA to understand global audience emotions through tweets in the context of the Olympic Games. The findings represent global attitudes around the Olympics and contribute to advancing the SA models. We have used NLP for tweet pre-processing and sophisticated DL models for arguing with SA, this research enhances the reliability and accuracy of sentiment classification. The study focuses on data selection, preprocessing, visualization, feature extraction, and model building, featuring a baseline Na\"ive Bayes (NB) model and three advanced DL models: Convolutional Neural Network (CNN), Bidirectional Long Short-Term Memory (BiLSTM), and Bidirectional Encoder Representations from Transformers (BERT). The results of the experiments show that the BERT model can efficiently classify sentiments related to the Olympics, achieving the highest accuracy of 99.23%.

One of the reasons why stochastic dynamic games with an underlying dynamic system are challenging is since strategic players have access to enormous amount of information which leads to the use of extremely complex strategies at equilibrium. One approach to resolve this challenge is to simplify players' strategies by identifying appropriate compression of information maps so that the players can make decisions solely based on the compressed version of information, called the information state. For finite dynamic games with asymmetric information, inspired by the notion of information state for single-agent control problems, we propose two notions of information states, namely mutually sufficient information (MSI) and unilaterally sufficient information (USI). Both these information states are obtained with information compression maps independent of the strategy profile. We show that Bayes-Nash Equilibria (BNE) and Sequential Equilibria (SE) exist when all players use MSI-based strategies. We prove that when all players employ USI-based strategies the resulting sets of BNE and SE payoff profiles are the same as the sets of BNE and SE payoff profiles resulting when all players use full information-based strategies. We prove that when all players use USI-based strategies the resulting set of weak Perfect Bayesian Equilibrium (wPBE) payoff profiles can be a proper subset of all wPBE payoff profiles. We identify MSI and USI in specific models of dynamic games in the literature. We end by presenting an open problem: Do there exist strategy-dependent information compression maps that guarantee the existence of at least one equilibrium or maintain all equilibria that exist under perfect recall? We show, by a counterexample, that a well-known strategy-dependent information compression map used in the literature does not possess any of the properties of MSI or USI.

Modern reinforcement learning (RL) struggles to capture real-world cause-and-effect dynamics, leading to inefficient exploration due to extensive trial-and-error actions. While recent efforts to improve agent exploration have leveraged causal discovery, they often make unrealistic assumptions of causal variables in the environments. In this paper, we introduce a novel framework, Variable-Agnostic Causal Exploration for Reinforcement Learning (VACERL), incorporating causal relationships to drive exploration in RL without specifying environmental causal variables. Our approach automatically identifies crucial observation-action steps associated with key variables using attention mechanisms. Subsequently, it constructs the causal graph connecting these steps, which guides the agent towards observation-action pairs with greater causal influence on task completion. This can be leveraged to generate intrinsic rewards or establish a hierarchy of subgoals to enhance exploration efficiency. Experimental results showcase a significant improvement in agent performance in grid-world, 2d games and robotic domains, particularly in scenarios with sparse rewards and noisy actions, such as the notorious Noisy-TV environments.

Learning policies for multi-entity systems in 3D environments is far more complicated against single-entity scenarios, due to the exponential expansion of the global state space as the number of entities increases. One potential solution of alleviating the exponential complexity is dividing the global space into independent local views that are invariant to transformations including translations and rotations. To this end, this paper proposes Subequivariant Hierarchical Neural Networks (SHNN) to facilitate multi-entity policy learning. In particular, SHNN first dynamically decouples the global space into local entity-level graphs via task assignment. Second, it leverages subequivariant message passing over the local entity-level graphs to devise local reference frames, remarkably compressing the representation redundancy, particularly in gravity-affected environments. Furthermore, to overcome the limitations of existing benchmarks in capturing the subtleties of multi-entity systems under the Euclidean symmetry, we propose the Multi-entity Benchmark (MEBEN), a new suite of environments tailored for exploring a wide range of multi-entity reinforcement learning. Extensive experiments demonstrate significant advancements of SHNN on the proposed benchmarks compared to existing methods. Comprehensive ablations are conducted to verify the indispensability of task assignment and subequivariance.