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Learning Generative Dynamics with Soft Law Constraints: A McKean-Vlasov FBSDE Approach
Boustany, Samer El, Mekkaoui, Samy, Hafsi, Yadh, Alouadi, Alexandre, Pham, Huyên
We propose a generative framework for learning stochastic dynamics from endpoint and intermediate distributional observations. The method formulates generation as a McKean-Vlasov control problem in which terminal and time-marginal laws are enforced through soft energy constraints. The associated optimality system is a forward-backward stochastic differential equation (FBSDE) whose backward component receives a continuous drift induced by the marginal law penalties. This provides a principled alternative to hard interpolation or optimal transport maps between observed distributions: the model learns a stochastic path law whose dynamics remain globally coupled through the mean-field objective. We derive the reduced FBSDE system for quadratic control cost and constant diffusion, connecting terminal and marginal law flat derivatives to score-like training signals. The resulting neural solver is evaluated on low-dimensional distributional benchmarks, where it recovers smooth stochastic paths matching prescribed marginal laws. In a higher-dimensional ALAE latent space, endpoint supervision is used as a qualitative stress test for transporting non-smiling faces toward smiling ones in a pretrained representation. We then use articulated human motion as a structured high-dimensional case study on a curated AMASS low-to-high position dataset, using SMPL-H pose sequences and reduced pose representations. The experiments show that soft marginal law constraints can produce coherent stochastic trajectories whose intermediate distributions follow the observed evolution of human motion. The code is available at https://github.com/murex/deep-mkv-gen/tree/main.
Survey-aware Machine Learning: A Guideline for Valid Population Health Inference based on Scoping Review
Oh, YongKyung, Zheng, Henry W., Feng, Jeffrey, Bui, Alex A. T.
Machine Learning (ML) models trained on complex health surveys such as the National Health and Nutrition Examination Survey (NHANES) often ignore primary sampling units, stratification variables, and sampling weights. This practice violates the independence assumptions of standard evaluation methods. As a result, estimates become biased, uncertainty is underestimated, and fairness assessments fail to reflect population-level disparities. We propose Survey-aware Machine Learning (SaML), a nine-step guideline that incorporates survey design metadata across the ML lifecycle. Through a scoping review of 16 methodological papers, we summarize existing work on weighted model training, design-based cross-validation, and survey-adjusted performance evaluation. We also identify gaps in hyperparameter tuning and deployment. We provide task-specific guidance that clarifies which steps are required for different analytical objectives. SaML provides a checklist for valid population inference from survey data.
Optimality of Sub-network Laplace Approximations: New Results and Methods
Raha, Swarnali, Khare, Kshitij, Patra, Rohit K
Although the Laplace approximation offers a simple route to uncertainty quantification in deep neural networks, its reliance on inverting large Hessian matrices has motivated a range of computationally feasible low-dimensional or sparse approximations. A prominent class of such methods - sub-network Laplace approximations, constructs surrogates by restricting attention to a small subset of parameters. Existing approaches in this family typically rely on diagonal, layer-wise, or other architectural heuristics for subset selection, which ignore cross-parameter interactions and lack formal optimality guarantees. In this paper, we provide a rigorous theoretical analysis of the sub-network Laplace paradigm. We prove that all sub-network Laplace methods systematically underestimate the predictive variance of the full Laplace posterior, and that this bias decreases monotonically as the retained sub-matrix expands. Leveraging this insight, we propose two principled, analytically grounded sub-network Hessian approximations: \textit{Gradient-Laplace} selects parameters with the largest average squared gradients of the model output with respect to the parameters over a reference dataset; while \textit{Greedy-Laplace} iteratively refines this selection by accounting for off-diagonal interactions in the precision matrix. We establish theoretical guarantees characterizing their optimality properties and show that Gradient-Laplace provably outperforms existing heuristic approaches. Extensive numerical studies across diverse settings indicate that these methods perform strongly relative to existing benchmarks.
Improving Generalization by Permutation Routing Across Model Copies
Kashiwamura, Shuhei, Leleu, Timothee
We introduce a use of the \(M\)-cover (or \(M\)-layer) transform for machine learning. The method replicates a model \(M\) times, but instead of coupling the copies through parameter averaging or an explicit attractive force, as in replicated SGD or Elastic SGD, it rewires the contexts in which local learning messages are computed. Each local loss is evaluated on a routed model whose parameters are drawn from different copies according to permutations sampled from a structured mixing kernel \(Q\). Training then uses the original local update rule, while the resulting learning messages are redistributed across the copies through these routed computational paths. Thus \(Q\) defines a topology for message transport and controls the long-loop structure of the lifted factor graph. We formulate this construction for perceptrons, committee machines, and multilayer perceptrons, showing that the same principle applies from discrete models to differentiable neural networks. The resulting framework provides a mechanism for improving generalization through structured message sharing rather than replica collapse or parameter-space coupling.
GravityGraphSAGE: Link Prediction in Directed Attributed Graphs
Porcedda, Riccardo, Chiaromonte, Francesca, Lillo, Fabrizio, Vandin, Andrea
Link prediction (inferring missing or future connections between nodes in a graph) is a fundamental problem in network science with widespread applications in, e.g., biological systems, recommender systems, finance and cybersecurity. The ability to accurately predict links has significant real-world applications, such as detecting fraudulent financial transactions or identifying drug-target interactions in biomedicine. Despite a rich literature, link prediction is still challenging, especially for graphs enriched with information on edges (direction) and nodes (attributes). In fact, research on link prediction, especially the one based on Graph Deep Learning (GDL), has mostly focused on undirected graphs, without fully leveraging node attributes. Here, we fill this gap by proposing Gravity-GraphSAGE (GG-SAGE), a modified version of GraphSAGE, a GDL model for node embeddings, composed of a gravity-inspired decoder. This implementation is the first example in the literature of a GraphSAGE backbone adopted for directed link prediction. Using the benchmark datasets Cora, Citeseer, PubMed and 16 real-world graphs from the online Netzschleuder repository, we show that our proposed model outperforms state-of-the-art GDL link prediction techniques. Using further experimental evidence, we relate the quality of the output of our model with various characteristics of the graph, suggesting that our framework scales well when applied to data of increasing complexity.
Inverse Design for Conditional Distribution Matching
Meidler, Ori, Tolkovsky, Shaul, Zuk, Or
Generative models are powerful tools for sampling from a learned distribution $\mathcal{P}(Y \mid X)$, and inverse-design methods invert this map to find an input $x$ that produces a desired point output $y^*$. However, many design goals are naturally distributional rather than pointwise, incorporating the inherent uncertainty of $Y$ and targeting a specific form for it, a task not addressed by standard inverse design. To address this issue we introduce Conditional Distribution Matching (CDM), a new inverse-design problem class in generative modeling: given a joint distribution $\mathcal{P}(X, Y)$ and a target distribution $\mathcal{G}(Y)$, find an input $x^*$ whose induced conditional distribution $\mathcal{P}(Y \mid X = x^*)$ matches $\mathcal{G}$. We formally define two variants: Conditional Distribution Matching Sampling (CDMS) and Conditional Distribution Matching Optimization (CDMO). To solve these problems, we propose MLGD-F (Matching-Loss Guided Diffusion with a Fast inner sampler), a plug-and-play inference-time algorithm that combines a pretrained score-based diffusion model with a pretrained fast conditional sampler, requiring no additional training or fine-tuning. By leveraging single-step conditional sampling, MLGD-F enables tractable gradient computation, making the estimation of $\mathcal{P}(Y \mid X)$ both memory-efficient and computationally lightweight. We validate MLGD-F on synthetic benchmarks, structured image transformations, and generative editing optimization, demonstrating reliable recovery of inputs whose conditional distributions match diverse user-specified targets, including discrete mixtures and continuous low-rank supports.
Proximal Path-Specific Inference
Bai, Yang, Wu, Sihan, Sun, Baoluo, Cui, Yifan
Mediation analysis (Robins & Greenland 1992, Pearl 2001, Imai, Keele & Tingley 2010, Tchetgen Tchetgen & Shpitser 2012) provides a principled framework for investigating causal mechanisms by decomposing the effect of a treatment A on an outcome Y into pathways operating through a mediator of interest M. Classical mediation analysis focuses on the natural indirect effect, corresponding to the pathway from Ato Y through M, and the natural direct effect, corresponding to pathways not through M. These estimands are well understood when a single mediator is present and strong identification assumptions hold. However, in many applications, there exist multiple intermediate variables between treatment and outcome. In such settings, conventional mediation analysis typically requires the absence of treatment-induced mediator-outcome confounders--often referred to as recanting witnesses--as well as the absence of unmeasured confounding. Under these circumstances, commonly used identification assumptions such as sequential ignorability (Imai, Keele & Yamamoto 2010) or nonparametric structural equation models with independent errors (NPSEM-IE) (Pearl 2009) no longer suffice to identify natural indirect effects (Avin et al. 2005, Tchetgen Tchetgen & VanderWeele 2014). Figure 1 illustrates this issue: the recanting witness D is directly affected by A and simultaneously confounds the relationship between M and Y. Such treatment-induced confounding is common in epidemiologic studies, particularly when the mediator of interest occurs long after the treatment initiation (Robins 1999). A motivating example arises in studies of preterm birth. Mediation analysis has been widely used to explore whether adequate prenatal care (A) reduces the risk of preterm birth (Y) through preeclampsia (M) (Vansteelandt & VanderWeele 2012, VanderWeele et al. 2014, Xia & Chan 2023).
Empirical Bayes 1-bit matrix completion
Matrix completion is a fundamental problem in machine learning, where the objective is to recover missing entries of a partially observed matrix. A prominent example is the Netflix Prize (Bennett and Lanning, 2007), which involved predicting a matrix of movie ratings by users for recommendation purposes. Beyond recommendation, matrix completion has recently found applications in causal inference for panel data (Athey et al., 2021). A standard assumption in matrix completion is that the underlying matrix is approximately low-rank, reflecting a few latent factors that govern interactions between rows and columns. A substantial body of work has established theoretical guarantees and developed efficient algorithms for matrix completion (Cai, Cand`es and Shen, 2010; Cand`es and Recht, 2008; Keshavan, Montanari, and Oh, 2010; Mazumder, Hastie and Tibshirani, 2010; Recht, 2011), predominantly focusing on cases where the observed entries are continuous-valued. In many applications, however, observations are not continuous-valued but binary.
Federated Language Models Under Bandwidth Budgets: Distillation Rates and Conformal Coverage
Dubey, Prasanjit, Huo, Xiaoming
Training a language model on data scattered across bandwidth-limited nodes that cannot be centralized is a setting that arises in clinical networks, enterprise knowledge bases, and scientific consortia. We study the regime in which data must remain distributed across nodes, and ask what statistical guarantees are in principle achievable under explicit bandwidth budgets; we aim to characterize what is provably possible, not to demonstrate a deployment-ready system. Existing theory treats either training-time consistency or inference-time calibration in isolation, and none makes bandwidth a first-class statistical parameter. We analyze two protocols, Federated Probe-Logit Distillation (FPLD) for training and Federated Conformal RAG (FC-RAG) for inference, as the analytical vehicles for our results. Our first main result is an explicit high-probability KL-consistency rate for FPLD with simultaneous dependence on node count $K$, per-node sample size $n$, quantization budget $B$, probe-set size $m$, and vocabulary size $V$; bandwidth enters only through an exponentially vanishing quantization term. Our second main result is a distribution-free marginal-coverage bound for FC-RAG, whose novel retrieval-bandwidth slack $Δ_{\mathrm{RAG}} = f_{\max}\sqrt{K^{-2}\sum_i v(B_i)}$ makes per-node retrieval bandwidth a first-class statistical parameter, with arithmetic aggregation across $K$ nodes shrinking the slack as $K^{-1/2}$ in the per-node-uniform regime. A Pinsker-type corollary composes the two bounds into an end-to-end coverage guarantee. Synthetic experiments verify the predicted scaling along the bounds' parameters; small-scale experiments on a GPT-2 testbed illustrate that the qualitative bandwidth-accuracy tradeoff survives on a real language model. A deployment-scale empirical evaluation is out of scope.
Differentially Private Sampling from Distributions via Wasserstein Projection
Takakura, Shokichi, Liew, Seng Pei, Hasegawa, Satoshi
In this paper, we study the problem of sampling from a distribution under the constraint of differential privacy (DP). Prior works measure the utility of DP sampling with density ratio-based measures such as KL divergence. However, such formulations suffer from two key limitations: 1) they fail to capture the geometric structure of the support, and 2) they are not applicable when the supports of the distributions differ. To deal with these issues, we develop a novel framework for DP sampling with Wasserstein distance as the utility measure. In this formulation, we propose Wasserstein Projection Mechanism (WPM), a minimax optimal mechanism based on Wasserstein projection. Furthermore, we develop efficient algorithms for computing the proposed mechanisms approximately and provide convergence guarantees.