Learning Graphical Models
FORT: Forward-Only Regression Training of Normalizing Flows
Rehman, Danyal, Davis, Oscar, Lu, Jiarui, Tang, Jian, Bronstein, Michael, Bengio, Yoshua, Tong, Alexander, Bose, Avishek Joey
Simulation-free training frameworks have been at the forefront of the generative modelling revolution in continuous spaces, leading to neural dynamical systems that encompass modern large-scale diffusion and flow matching models. Despite the scalability of training, the generation of high-quality samples and their corresponding likelihood under the model requires expensive numerical simulation -- inhibiting adoption in numerous scientific applications such as equilibrium sampling of molecular systems. In this paper, we revisit classical normalizing flows as one-step generative models with exact likelihoods and propose a novel, scalable training objective that does not require computing the expensive change of variable formula used in conventional maximum likelihood training. We propose Forward-Only Regression Training (FORT), a simple $\ell_2$-regression objective that maps prior samples under our flow to specifically chosen targets. We demonstrate that FORT supports a wide class of targets, such as optimal transport targets and targets from pre-trained continuous-time normalizing flows (CNF). We further demonstrate that by using CNF targets, our one-step flows allow for larger-scale training that exceeds the performance and stability of maximum likelihood training, while unlocking a broader class of architectures that were previously challenging to train. Empirically, we elucidate that our trained flows can perform equilibrium conformation sampling in Cartesian coordinates of alanine dipeptide, alanine tripeptide, and alanine tetrapeptide.
Generalized Linear Markov Decision Process
Zhang, Sinian, Zhang, Kaicheng, Xu, Ziping, Cai, Tianxi, Zhou, Doudou
The linear Markov Decision Process (MDP) framework offers a principled foundation for reinforcement learning (RL) with strong theoretical guarantees and sample efficiency. However, its restrictive assumption-that both transition dynamics and reward functions are linear in the same feature space-limits its applicability in real-world domains, where rewards often exhibit nonlinear or discrete structures. Motivated by applications such as healthcare and e-commerce, where data is scarce and reward signals can be binary or count-valued, we propose the Generalized Linear MDP (GLMDP) framework-an extension of the linear MDP framework-that models rewards using generalized linear models (GLMs) while maintaining linear transition dynamics. We establish the Bellman completeness of GLMDPs with respect to a new function class that accommodates nonlinear rewards and develop two offline RL algorithms: Generalized Pessimistic Value Iteration (GPEVI) and a semi-supervised variant (SS-GPEVI) that utilizes both labeled and unlabeled trajectories. Our algorithms achieve theoretical guarantees on policy suboptimality and demonstrate improved sample efficiency in settings where reward labels are expensive or limited.
Score Matching With Missing Data
Givens, Josh, Liu, Song, Reeve, Henry W J
Score matching is a vital tool for learning the distribution of data with applications across many areas including diffusion processes, energy based modelling, and graphical model estimation. Despite all these applications, little work explores its use when data is incomplete. We address this by adapting score matching (and its major extensions) to work with missing data in a flexible setting where data can be partially missing over any subset of the coordinates. We provide two separate score matching variations for general use, an importance weighting (IW) approach, and a variational approach. We provide finite sample bounds for our IW approach in finite domain settings and show it to have especially strong performance in small sample lower dimensional cases. Complementing this, we show our variational approach to be strongest in more complex high-dimensional settings which we demonstrate on graphical model estimation tasks on both real and simulated data.
Alignment as Distribution Learning: Your Preference Model is Explicitly a Language Model
Yun, Jihun, Kim, Juno, Park, Jongho, Kim, Junhyuck, Ryu, Jongha Jon, Cho, Jaewoong, Jun, Kwang-Sung
Alignment via reinforcement learning from human feedback (RLHF) has become the dominant paradigm for controlling the quality of outputs from large language models (LLMs). However, when viewed as `loss + regularization,' the standard RLHF objective lacks theoretical justification and incentivizes degenerate, deterministic solutions, an issue that variants such as Direct Policy Optimization (DPO) also inherit. In this paper, we rethink alignment by framing it as \emph{distribution learning} from pairwise preference feedback by explicitly modeling how information about the target language model bleeds through the preference data. This explicit modeling leads us to propose three principled learning objectives: preference maximum likelihood estimation, preference distillation, and reverse KL minimization. We theoretically show that all three approaches enjoy strong non-asymptotic $O(1/n)$ convergence to the target language model, naturally avoiding degeneracy and reward overfitting. Finally, we empirically demonstrate that our distribution learning framework, especially preference distillation, consistently outperforms or matches the performances of RLHF and DPO across various tasks and models.
Entropic Risk Optimization in Discounted MDPs: Sample Complexity Bounds with a Generative Model
Mortensen, Oliver, Talebi, Mohammad Sadegh
In this paper we analyze the sample complexities of learning the optimal state-action value function $Q^*$ and an optimal policy $π^*$ in a discounted Markov decision process (MDP) where the agent has recursive entropic risk-preferences with risk-parameter $β\neq 0$ and where a generative model of the MDP is available. We provide and analyze a simple model based approach which we call model-based risk-sensitive $Q$-value-iteration (MB-RS-QVI) which leads to $(ε,δ)$-PAC-bounds on $\|Q^*-Q^k\|$, and $\|V^*-V^{π_k}\|$ where $Q_k$ is the output of MB-RS-QVI after k iterations and $π_k$ is the greedy policy with respect to $Q_k$. Both PAC-bounds have exponential dependence on the effective horizon $\frac{1}{1-γ}$ and the strength of this dependence grows with the learners risk-sensitivity $|β|$. We also provide two lower bounds which shows that exponential dependence on $|β|\frac{1}{1-γ}$ is unavoidable in both cases. The lower bounds reveal that the PAC-bounds are both tight in $\varepsilon$ and $δ$ and that the PAC-bound on $Q$-learning is tight in the number of actions $A$, and that the PAC-bound on policy-learning is nearly tight in $A$.
Bayesian Data Sketching for Varying Coefficient Regression Models
Guhaniyogi, Rajarshi, Baracaldo, Laura, Banerjee, Sudipto
Varying coefficient models are popular for estimating nonlinear regression functions in functional data models. Their Bayesian variants have received limited attention in large data applications, primarily due to prohibitively slow posterior computations using Markov chain Monte Carlo (MCMC) algorithms. We introduce Bayesian data sketching for varying coefficient models to obviate computational challenges presented by large sample sizes. To address the challenges of analyzing large data, we compress the functional response vector and predictor matrix by a random linear transformation to achieve dimension reduction and conduct inference on the compressed data. Our approach distinguishes itself from several existing methods for analyzing large functional data in that it requires neither the development of new models or algorithms, nor any specialized computational hardware while delivering fully model-based Bayesian inference. Well-established methods and algorithms for varying coefficient regression models can be applied to the compressed data. We establish posterior contraction rates for estimating the varying coefficients and predicting the outcome at new locations with the randomly compressed data model. We use simulation experiments and analyze remote sensed vegetation data to empirically illustrate the inferential and computational efficiency of our approach.
Beyond Winning: Margin of Victory Relative to Expectation Unlocks Accurate Skill Ratings
Shorewala, Shivam, Yang, Zihao
Knowledge of accurate relative skills in any competitive system is essential, but foundational approaches such as ELO discard extremely relevant performance data by concentrating exclusively on binary outcomes. While margin of victory (MOV) extensions exist, they often lack a definitive method for incorporating this information. We introduce Margin of Victory Differential Analysis (MOVDA), a framework that enhances traditional rating systems by using the deviation between the true MOV and a $\textit{modeled expectation}$. MOVDA learns a domain-specific, non-linear function (a scaled hyperbolic tangent that captures saturation effects and home advantage) to predict expected MOV based on rating differentials. Crucially, the $\textit{difference}$ between the true and expected MOV provides a subtle and weighted signal for rating updates, highlighting informative deviations in all levels of contests. Extensive experiments on professional NBA basketball data (from 2013 to 2023, with 13,619 games) show that MOVDA significantly outperforms standard ELO and Bayesian baselines. MOVDA reduces Brier score prediction error by $1.54\%$ compared to TrueSkill, increases outcome accuracy by $0.58\%$, and most importantly accelerates rating convergence by $13.5\%$, while maintaining the computational efficiency of the original ELO updates. MOVDA offers a theoretically motivated, empirically superior, and computationally lean approach to integrating performance magnitude into skill rating for competitive environments like the NBA.
Adaptive Destruction Processes for Diffusion Samplers
Gritsaev, Timofei, Morozov, Nikita, Tamogashev, Kirill, Tiapkin, Daniil, Samsonov, Sergey, Naumov, Alexey, Vetrov, Dmitry, Malkin, Nikolay
This paper explores the challenges and benefits of a trainable destruction process in diffusion samplers -- diffusion-based generative models trained to sample an unnormalised density without access to data samples. Contrary to the majority of work that views diffusion samplers as approximations to an underlying continuous-time model, we view diffusion models as discrete-time policies trained to produce samples in very few generation steps. We propose to trade some of the elegance of the underlying theory for flexibility in the definition of the generative and destruction policies. In particular, we decouple the generation and destruction variances, enabling both transition kernels to be learned as unconstrained Gaussian densities. We show that, when the number of steps is limited, training both generation and destruction processes results in faster convergence and improved sampling quality on various benchmarks. Through a robust ablation study, we investigate the design choices necessary to facilitate stable training. Finally, we show the scalability of our approach through experiments on GAN latent space sampling for conditional image generation.
Flexible Selective Inference with Flow-based Transport Maps
Liu, Sifan, Panigrahi, Snigdha
Data-carving methods perform selective inference by conditioning the distribution of data on the observed selection event. However, existing data-carving approaches typically require an analytically tractable characterization of the selection event. This paper introduces a new method that leverages tools from flow-based generative modeling to approximate a potentially complex conditional distribution, even when the underlying selection event lacks an analytical description -- take, for example, the data-adaptive tuning of model parameters. The key idea is to learn a transport map that pushes forward a simple reference distribution to the conditional distribution given selection. This map is efficiently learned via a normalizing flow, without imposing any further restrictions on the nature of the selection event. Through extensive numerical experiments on both simulated and real data, we demonstrate that this method enables flexible selective inference by providing: (i) valid p-values and confidence sets for adaptively selected hypotheses and parameters, (ii) a closed-form expression for the conditional density function, enabling likelihood-based and quantile-based inference, and (iii) adjustments for intractable selection steps that can be easily integrated with existing methods designed to account for the tractable steps in a selection procedure involving multiple steps.
WoMAP: World Models For Embodied Open-Vocabulary Object Localization
Yin, Tenny, Mei, Zhiting, Sun, Tao, Zha, Lihan, Zhou, Emily, Bao, Jeremy, Yamane, Miyu, Shorinwa, Ola, Majumdar, Anirudha
Language-instructed active object localization is a critical challenge for robots, requiring efficient exploration of partially observable environments. However, state-of-the-art approaches either struggle to generalize beyond demonstration datasets (e.g., imitation learning methods) or fail to generate physically grounded actions (e.g., VLMs). To address these limitations, we introduce WoMAP (World Models for Active Perception): a recipe for training open-vocabulary object localization policies that: (i) uses a Gaussian Splatting-based real-to-sim-to-real pipeline for scalable data generation without the need for expert demonstrations, (ii) distills dense rewards signals from open-vocabulary object detectors, and (iii) leverages a latent world model for dynamics and rewards prediction to ground high-level action proposals at inference time. Rigorous simulation and hardware experiments demonstrate WoMAP's superior performance in a broad range of zero-shot object localization tasks, with more than 9x and 2x higher success rates compared to VLM and diffusion policy baselines, respectively. Further, we show that WoMAP achieves strong generalization and sim-to-real transfer on a TidyBot.