Learning Graphical Models
VAGEN: Reinforcing World Model Reasoning for Multi-Turn VLM Agents
Wang, Kangrui, Zhang, Pingyue, Wang, Zihan, Gao, Yaning, Li, Linjie, Wang, Qineng, Chen, Hanyang, Wan, Chi, Lu, Yiping, Yang, Zhengyuan, Wang, Lijuan, Krishna, Ranjay, Wu, Jiajun, Fei-Fei, Li, Choi, Yejin, Li, Manling
A key challenge in training Vision-Language Model (VLM) agents, compared to Language Model (LLM) agents, lies in the shift from textual states to complex visual observations. This transition introduces partial observability and demands robust world modeling. We ask: Can VLM agents construct internal world models through explicit visual state reasoning? To address this question, we architecturally enforce and reward the agent's reasoning process via reinforcement learning (RL), formulating it as a Partially Observable Markov Decision Process (POMDP). We find that decomposing the agent's reasoning into State Estimation ("what is the current state?") and Transition Modeling ("what comes next?") is critical for success, as demonstrated through five reasoning strategies. Our investigation into how agents represent internal beliefs reveals that the optimal representation is task-dependent: Natural Language excels at capturing semantic relationships in general tasks, while Structured formats are indispensable for precise manipulation and control. Building on these insights, we design a World Modeling Reward that provides dense, turn-level supervision for accurate state prediction, and introduce Bi-Level General Advantage Estimation (Bi-Level GAE) for turn-aware credit assignment. Through this form of visual state reasoning, a 3B-parameter model achieves a score of 0.82 across five diverse agent benchmarks, representing a 3$\times$ improvement over its untrained counterpart (0.21) and outperforming proprietary reasoning models such as GPT-5 (0.75), Gemini 2.5 Pro (0.67) and Claude 4.5 (0.62). All experiments are conducted within our VAGEN framework, a scalable system for training and analyzing multi-turn VLM agents in diverse visual environments. Code and data are publicly available at https://vagen-ai.github.io.
Zero-Shot Performance Prediction for Probabilistic Scaling Laws
Schram, Viktoria, Hiller, Markus, Beck, Daniel, Cohn, Trevor
The prediction of learning curves for Natural Language Processing (NLP) models enables informed decision-making to meet specific performance objectives, while reducing computational overhead and lowering the costs associated with dataset acquisition and curation. In this work, we formulate the prediction task as a multitask learning problem, where each task's data is modelled as being organized within a two-layer hierarchy. To model the shared information and dependencies across tasks and hierarchical levels, we employ latent variable multi-output Gaussian Processes, enabling to account for task correlations and supporting zero-shot prediction of learning curves (LCs). We demonstrate that this approach facilitates the development of probabilistic scaling laws at lower costs. Applying an active learning strategy, LCs can be queried to reduce predictive uncertainty and provide predictions close to ground truth scaling laws. We validate our framework on three small-scale NLP datasets with up to $30$ LCs. These are obtained from nanoGPT models, from bilingual translation using mBART and Transformer models, and from multilingual translation using M2M100 models of varying sizes.
Humanoid-inspired Causal Representation Learning for Domain Generalization
Tao, Ze, Zhang, Jian, Li, Haowei, Li, Xianshuai, Peng, Yifei, Liu, Xiyao, Wang, Senzhang, Liu, Chao, Ren, Sheng, Zhang, Shichao
This paper proposes the Humanoid-inspired Structural Causal Model (HSCM), a novel causal framework inspired by human intelligence, designed to overcome the limitations of conventional domain generalization models. Unlike approaches that rely on statistics to capture data-label dependencies and learn distortion-invariant representations, HSCM replicates the hierarchical processing and multi-level learning of human vision systems, focusing on modeling fine-grained causal mechanisms. By disentangling and reweighting key image attributes such as color, texture, and shape, HSCM enhances generalization across diverse domains, ensuring robust performance and interpretability. Leveraging the flexibility and adaptability of human intelligence, our approach enables more effective transfer and learning in dynamic, complex environments. Through both theoretical and empirical evaluations, we demonstrate that HSCM outperforms existing domain generalization models, providing a more principled method for capturing causal relationships and improving model robustness. The code is available at https://github.com/lambett/HSCM.
A Semantic Generalization of Shannon's Information Theory and Applications
Does semantic communication require a semantic information theory parallel to Shannon's information theory, or can Shannon's work be generalized for semantic communication? This paper advocates for the latter and introduces a semantic generalization of Shannon's information theory (G theory for short). The core idea is to replace the distortion constraint with the semantic constraint, achieved by utilizing a set of truth functions as a semantic channel. These truth functions enable the expressions of semantic distortion, semantic information measures, and semantic information loss. Notably, the maximum semantic information criterion is equivalent to the maximum likelihood criterion and similar to the Regularized Least Squares criterion. This paper shows G theory's applications to daily and electronic semantic communication, machine learning, constraint control, Bayesian confirmation, portfolio theory, and information value. The improvements in machine learning methods involve multilabel learning and classification, maximum mutual information classification, mixture models, and solving latent variables. Furthermore, insights from statistical physics are discussed: Shannon information is similar to free energy; semantic information to free energy in local equilibrium systems; and information efficiency to the efficiency of free energy in performing work. The paper also proposes refining Friston's minimum free energy principle into the maximum information efficiency principle. Lastly, it compares G theory with other semantic information theories and discusses its limitation in representing the semantics of complex data.
Symmetries in PAC-Bayesian Learning
Symmetries are known to improve the empirical performance of machine learning models, yet theoretical guarantees explaining these gains remain limited. Prior work has focused mainly on compact group symmetries and often assumes that the data distribution itself is invariant, an assumption rarely satisfied in real-world applications. In this work, we extend generalization guarantees to the broader setting of non-compact symmetries, such as translations and to non-invariant data distributions. Building on the PAC-Bayes framework, we adapt and tighten existing bounds, demonstrating the approach on McAllester's PAC-Bayes bound while showing that it applies to a wide range of PAC-Bayes bounds. We validate our theory with experiments on a rotated MNIST dataset with a non-uniform rotation group, where the derived guarantees not only hold but also improve upon prior results. These findings provide theoretical evidence that, for symmetric data, symmetric models are preferable beyond the narrow setting of compact groups and invariant distributions, opening the way to a more general understanding of symmetries in machine learning.
Sparse Transformer Architectures via Regularized Wasserstein Proximal Operator with $L_1$ Prior
Han, Fuqun, Osher, Stanley, Li, Wuchen
Modern generative models, such as neural ordinary differential equations (neural ODEs) [4], transformers [25], and diffusion models [22], have demonstrated remarkable ability to learn and generate samples from complex, high-dimensional probability distributions. These architectures have achieved broad success in scientific computing, image processing, and data science, offering scalable frameworks for data-driven modeling. However, training and sampling in such spaces remain expensive and highly sensitive to architectural and optimization choices. Despite these advances, the curse of dimensionality continues to present a fundamental challenge in many real-world applications. Fortunately, numerous problems in scientific computing exhibit intrinsic structures, such as sparsity, low-rank representations, or approximate invariances, that can be interpreted as prior information about the underlying data or operators. Leveraging such priors within generative models offers a promising avenue to improve both computational efficiency and generalization. A classical way to incorporate prior information, such as sparsity or piecewise regularity, is through Bayesian modeling, where the posterior combines a prior distribution encoding structural knowledge with a likelihood function derived from observations.
A Minimal-Assumption Analysis of Q-Learning with Time-Varying Policies
In this work, we present the first finite-time analysis of the Q-learning algorithm under time-varying learning policies (i.e., on-policy sampling) with minimal assumptions -- specifically, assuming only the existence of a policy that induces an irreducible Markov chain over the state space. We establish a last-iterate convergence rate for $\mathbb{E}[\|Q_k - Q^*\|_\infty^2]$, implying a sample complexity of order $O(1/ε^2)$ for achieving $\mathbb{E}[\|Q_k - Q^*\|_\infty] \le ε$, matching that of off-policy Q-learning but with a worse dependence on exploration-related parameters. We also derive an explicit rate for $\mathbb{E}[\|Q^{π_k} - Q^*\|_\infty^2]$, where $π_k$ is the learning policy at iteration $k$. These results reveal that on-policy Q-learning exhibits weaker exploration than its off-policy counterpart but enjoys an exploitation advantage, as its policy converges to an optimal one rather than remaining fixed. Numerical simulations corroborate our theory. Technically, the combination of time-varying learning policies (which induce rapidly time-inhomogeneous Markovian noise) and the minimal assumption on exploration presents significant analytical challenges. To address these challenges, we employ a refined approach that leverages the Poisson equation to decompose the Markovian noise corresponding to the lazy transition matrix into a martingale-difference term and residual terms. To control the residual terms under time inhomogeneity, we perform a sensitivity analysis of the Poisson equation solution with respect to both the Q-function estimate and the learning policy. These tools may further facilitate the analysis of general reinforcement learning algorithms with rapidly time-varying learning policies -- such as single-timescale actor--critic methods and learning-in-games algorithms -- and are of independent interest.
Particle Dynamics for Latent-Variable Energy-Based Models
Tang, Shiqin, Zhuang, Shuxin, Feng, Rong, Yu, Runsheng, Li, Hongzong, Zhang, Youzhi
Latent-variable energy-based models (LV-EBMs) assign a single normalized energy to joint pairs of observed data and latent variables, offering expressive generative modeling while capturing hidden structure. We recast maximum-likelihood training as a saddle problem over distributions on the latent and joint manifolds and view the inner updates as coupled Wasserstein gradient flows. The resulting algorithm alternates overdamped Langevin updates for a joint negative pool and for conditional latent particles with stochastic parameter ascent, requiring no discriminator or auxiliary networks. We prove existence and convergence under standard smoothness and dissi-pativity assumptions, with decay rates in KL divergence and Wasserstein-2 distance. The saddle-point view further yields an ELBO strictly tighter than bounds obtained with restricted amortized posteriors. Our method is evaluated on numerical approximations of physical systems and performs competitively against comparable approaches.
Clarifying the Ti-V Phase Diagram Using First-Principles Calculations and Bayesian Learning
Miryashkin, Timofei, Klimanova, Olga, Shapeev, Alexander
Conflicting experiments disagree on whether the titanium-vanadium (Ti-V) binary alloy exhibits a body-centred cubic (BCC) miscibility gap or remains completely soluble. A leading hypothesis attributes the miscibility gap to oxygen contamination during alloy preparation. To resolve this disagreement, we use an ab initio + machine-learning workflow that couples an actively-trained Moment Tensor Potential with Bayesian inference of free energy surface. This workflow enables construction of the Ti-V phase diagram across the full composition range with systematically reduced statistical and finite-size errors. The resulting diagram reproduces all experimental features, demonstrating the robustness of our approach, and clearly favors the variant with a BCC miscibility gap terminating at T = 980 K and c = 0.67. Because our simulations model a perfectly oxygen-free Ti-V system, the observed gap cannot originate from impurity effects, in contrast to recent CALPHAD reassessments.
Scaling Multi Agent Reinforcement Learning for Underwater Acoustic Tracking via Autonomous Vehicles
Gallici, Matteo, Masmitja, Ivan, Martín, Mario
Autonomous vehicles (AV) offer a cost-effective solution for scientific missions such as underwater tracking. Recently, reinforcement learning (RL) has emerged as a powerful method for controlling AVs in complex marine environments. However, scaling these techniques to a fleet--essential for multi-target tracking or targets with rapid, unpredictable motion--presents significant computational challenges. Multi-Agent Reinforcement Learning (MARL) is notoriously sample-inefficient, and while high-fidelity simulators like Gazebo's LRAUV provide 100x faster-than-real-time single-robot simulations, they offer no significant speedup for multi-vehicle scenarios, making MARL training impractical. To address these limitations, we propose an iterative distillation method that transfers high-fidelity simulations into a simplified, GPU-accelerated environment while preserving high-level dynamics. This approach achieves up to a 30,000x speedup over Gazebo through parallelization, enabling efficient training via end-to-end GPU acceleration. Additionally, we introduce a novel Transformer-based architecture (TransfMAPPO) that learns multi-agent policies invariant to the number of agents and targets, significantly improving sample efficiency. Following large-scale curriculum learning conducted entirely on GPU, we perform extensive evaluations in Gazebo, demonstrating that our method maintains tracking errors below 5 meters over extended durations, even in the presence of multiple fast-moving targets. This work bridges the gap between large-scale MARL training and high-fidelity deployment, providing a scalable framework for autonomous fleet control in real-world sea missions.