Learning Graphical Models
Direct Alignment with Heterogeneous Preferences
Shirali, Ali, Nasr-Esfahany, Arash, Alomar, Abdullah, Mirtaheri, Parsa, Abebe, Rediet, Procaccia, Ariel
This tension in assumptions is readily apparent in standard human-AI alignment methods--such as reinforcement learning from human feedback (RLHF) [6, 7, 8] and direct preference optimization (DPO) [9]--which assume a single reward function captures the interests of the entire population. We examine the limits of the preference homogeneity assumption when individuals belong to user types, each characterized by a specific reward function. Recent work has shown that in this setting, the homogeneity assumption can lead to unexpected behavior [10, 11, 12]. One challenge is that, under this assumption, learning from human preferences becomes unrealizable, as a single reward function cannot capture the complexity of population preferences with multiple reward functions [13, 14]. Both RLHF and DPO rely on maximum likelihood estimation (MLE) to optimize the reward or policy. Unrealizability implies their likelihood functions cannot fully represent the underlying preference data distribution, resulting in a nontrivial optimal MLE solution. From another perspective, learning a universal reward or policy from a heterogeneous population inherently involves an aggregation of diverse interests, and this aggregation is nontrivial. In the quest for a single policy that accommodates a heterogeneous population with multiple user types, we show that the only universal reward yielding a well-defined alignment problem is an affine Equal contribution Work done while visiting Harvard Equal advising 1 arXiv:2502.16320v1
Statistical Inference in Reinforcement Learning: A Selective Survey
Thus, the observed data can be summarized into a sequence of "observation-action-reward" triplets ( O t, A t, R t) t 0. It is worth noting that the observation O t at each time step is not equivalent to the environment's state S t. Indeed, the state can be viewed as a special observation with the Markov property, and we will elaborate on the difference between the two later. Policies: The goal of RL is to learn an optimal policy π based on the observation-action-reward triplets to maximize the agent's cumulative reward. Mathematically, a policy is defined as a conditional probability distribution function mapping the agent's observed data history to the action space. It specifies the probability of the agent taking different actions at each time step. Below, we introduce three types of policies (see Figure 1(b) for a visualization of their relationships): (1) History-dependent policy: This is the most general form of policy. At each time t, we define H t as the set containing the current observation O t and all prior historical information (O i, A i, R i) i
BOSS: Benchmark for Observation Space Shift in Long-Horizon Task
Yang, Yue, Zhao, Linfeng, Ding, Mingyu, Bertasius, Gedas, Szafir, Daniel
Robotics has long sought to develop visual-servoing robots capable of completing previously unseen long-horizon tasks. Hierarchical approaches offer a pathway for achieving this goal by executing skill combinations arranged by a task planner, with each visuomotor skill pre-trained using a specific imitation learning (IL) algorithm. However, even in simple long-horizon tasks like skill chaining, hierarchical approaches often struggle due to a problem we identify as Observation Space Shift (OSS), where the sequential execution of preceding skills causes shifts in the observation space, disrupting the performance of subsequent individually trained skill policies. To validate OSS and evaluate its impact on long-horizon tasks, we introduce BOSS (a Benchmark for Observation Space Shift). BOSS comprises three distinct challenges: "Single Predicate Shift", "Accumulated Predicate Shift", and "Skill Chaining", each designed to assess a different aspect of OSS's negative effect. We evaluated several recent popular IL algorithms on BOSS, including three Behavioral Cloning methods and the Visual Language Action model OpenVLA. Even on the simplest challenge, we observed average performance drops of 67%, 35%, 34%, and 54%, respectively, when comparing skill performance with and without OSS. Additionally, we investigate a potential solution to OSS that scales up the training data for each skill with a larger and more visually diverse set of demonstrations, with our results showing it is not sufficient to resolve OSS. The project page is: https://boss-benchmark.github.io/
Synthetic vs. Gold: The Role of LLM-Generated Labels and Data in Cyberbullying Detection
Kazemi, Arefeh, Kalaivendan, Sri Balaaji Natarajan, Wagner, Joachim, Qadeer, Hamza, Davis, Brian
This study investigates the role of LLM-generated synthetic data in cyberbullying detection. We conduct a series of experiments where we replace some or all of the authentic data with synthetic data, or augment the authentic data with synthetic data. We find that synthetic cyberbullying data can be the basis for training a classifier for harm detection that reaches performance close to that of a classifier trained with authentic data. Combining authentic with synthetic data shows improvements over the baseline of training on authentic data alone for the test data for all three LLMs tried. These results highlight the viability of synthetic data as a scalable, ethically viable alternative in cyberbullying detection while emphasizing the critical impact of LLM selection on performance outcomes.
AutoToM: Automated Bayesian Inverse Planning and Model Discovery for Open-ended Theory of Mind
Zhang, Zhining, Jin, Chuanyang, Jia, Mung Yao, Shu, Tianmin
Theory of Mind (ToM), the ability to understand people's mental variables based on their behavior, is key to developing socially intelligent agents. Current approaches to Theory of Mind reasoning either rely on prompting Large Language Models (LLMs), which are prone to systematic errors, or use rigid, handcrafted Bayesian Theory of Mind (BToM) models, which are more robust but cannot generalize across different domains. In this work, we introduce AutoToM, an automated Bayesian Theory of Mind method for achieving open-ended machine Theory of Mind. AutoToM can operate in any domain, infer any mental variable, and conduct robust Theory of Mind reasoning of any order. Given a Theory of Mind inference problem, AutoToM first proposes an initial BToM model. It then conducts automated Bayesian inverse planning based on the proposed model, leveraging an LLM as the backend. Based on the uncertainty of the inference, it iteratively refines the model, by introducing additional mental variables and/or incorporating more timesteps in the context. Empirical evaluations across multiple Theory of Mind benchmarks demonstrate that AutoToM consistently achieves state-of-the-art performance, offering a scalable, robust, and interpretable approach to machine Theory of Mind.
Automating Curriculum Learning for Reinforcement Learning using a Skill-Based Bayesian Network
Hsiao, Vincent, Roberts, Mark, Hiatt, Laura M., Konidaris, George, Nau, Dana
A major challenge for reinforcement learning is automatically generating curricula to reduce training time or improve performance in some target task. We introduce SEBNs (Skill-Environment Bayesian Networks) which model a probabilistic relationship between a set of skills, a set of goals that relate to the reward structure, and a set of environment features to predict policy performance on (possibly unseen) tasks. We develop an algorithm that uses the inferred estimates of agent success from SEBN to weigh the possible next tasks by expected improvement. We evaluate the benefit of the resulting curriculum on three environments: a discrete gridworld, continuous control, and simulated robotics. The results show that curricula constructed using SEBN frequently outperform other baselines.
Drug-Target Interaction/Affinity Prediction: Deep Learning Models and Advances Review
Vefghi, Ali, Rahmati, Zahed, Akbari, Mohammad
Drug discovery remains a slow and expensive process that involves many steps, from detecting the target structure to obtaining approval from the Food and Drug Administration (FDA), and is often riddled with safety concerns. Accurate prediction of how drugs interact with their targets and the development of new drugs by using better methods and technologies have immense potential to speed up this process, ultimately leading to faster delivery of life-saving medications. Traditional methods used for drug-target interaction prediction show limitations, particularly in capturing complex relationships between drugs and their targets. As an outcome, deep learning models have been presented to overcome the challenges of interaction prediction through their precise and efficient end results. By outlining promising research avenues and models, each with a different solution but similar to the problem, this paper aims to give researchers a better idea of methods for even more accurate and efficient prediction of drug-target interaction, ultimately accelerating the development of more effective drugs. A total of 180 prediction methods for drug-target interactions were analyzed throughout the period spanning 2016 to 2025 using different frameworks based on machine learning, mainly deep learning and graph neural networks. Additionally, this paper discusses the novelty, architecture, and input representation of these models.
Efficiently Solving Discounted MDPs with Predictions on Transition Matrices
Lyu, Lixing, Jiang, Jiashuo, Cheung, Wang Chi
We study infinite-horizon Discounted Markov Decision Processes (DMDPs) under a generative model. Motivated by the Algorithm with Advice framework Mitzenmacher and Vassilvitskii 2022, we propose a novel framework to investigate how a prediction on the transition matrix can enhance the sample efficiency in solving DMDPs and improve sample complexity bounds. We focus on the DMDPs with $N$ state-action pairs and discounted factor $\gamma$. Firstly, we provide an impossibility result that, without prior knowledge of the prediction accuracy, no sampling policy can compute an $\epsilon$-optimal policy with a sample complexity bound better than $\tilde{O}((1-\gamma)^{-3} N\epsilon^{-2})$, which matches the state-of-the-art minimax sample complexity bound with no prediction. In complement, we propose an algorithm based on minimax optimization techniques that leverages the prediction on the transition matrix. Our algorithm achieves a sample complexity bound depending on the prediction error, and the bound is uniformly better than $\tilde{O}((1-\gamma)^{-4} N \epsilon^{-2})$, the previous best result derived from convex optimization methods. These theoretical findings are further supported by our numerical experiments.
Since Faithfulness Fails: The Performance Limits of Neural Causal Discovery
Olko, Mateusz, Gajewski, Mateusz, Wojciechowska, Joanna, Morzy, Mikołaj, Sankowski, Piotr, Miłoś, Piotr
Neural causal discovery methods have recently improved in terms of scalability and computational efficiency. However, our systematic evaluation highlights significant room for improvement in their accuracy when uncovering causal structures. We identify a fundamental limitation: neural networks cannot reliably distinguish between existing and non-existing causal relationships in the finite sample regime. Our experiments reveal that neural networks, as used in contemporary causal discovery approaches, lack the precision needed to recover ground-truth graphs, even for small graphs and relatively large sample sizes. Furthermore, we identify the faithfulness property as a critical bottleneck: (i) it is likely to be violated across any reasonable dataset size range, and (ii) its violation directly undermines the performance of neural discovery methods. These findings lead us to conclude that progress within the current paradigm is fundamentally constrained, necessitating a paradigm shift in this domain.
Explaining the Success of Nearest Neighbor Methods in Prediction
Chen, George H., Shah, Devavrat
Many modern methods for prediction leverage nearest neighbor search to find past training examples most similar to a test example, an idea that dates back in text to at least the 11th century and has stood the test of time. This monograph aims to explain the success of these methods, both in theory, for which we cover foundational nonasymptotic statistical guarantees on nearest-neighbor-based regression and classification, and in practice, for which we gather prominent methods for approximate nearest neighbor search that have been essential to scaling prediction systems reliant on nearest neighbor analysis to handle massive datasets. Furthermore, we discuss connections to learning distances for use with nearest neighbor methods, including how random decision trees and ensemble methods learn nearest neighbor structure, as well as recent developments in crowdsourcing and graphons. In terms of theory, our focus is on nonasymptotic statistical guarantees, which we state in the form of how many training data and what algorithm parameters ensure that a nearest neighbor prediction method achieves a user-specified error tolerance. We begin with the most general of such results for nearest neighbor and related kernel regression and classification in general metric spaces. In such settings in which we assume very little structure, what enables successful prediction is smoothness in the function being estimated for regression, and a low probability of landing near the decision boundary for classification. In practice, these conditions could be difficult to verify for a real dataset. We then cover recent guarantees on nearest neighbor prediction in the three case studies of time series forecasting, recommending products to people over time, and delineating human organs in medical images by looking at image patches. In these case studies, clustering structure enables successful prediction.