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Turtle shell clustering: A mixture approach to discriminative clustering with applications to flow cytometry and other data
Neal, Mackenzie R., McNicholas, Paul D., White, Arthur
Generative approaches to clustering provide information on geometric properties of clusters, whereas discriminative approaches provide boundaries between clusters. Ideas from both approaches are incorporated to present a fully unsupervised, probabilistic, and discriminative clustering method via a regularized mutual information objective function, wherein a mixture of mixtures of Gaussian and uniform distributions is used for formulation of the conditional model. Automatic selection of the number of components is established with the introduction of the regularizing term and a merge step, similar to those applied in reversible jump Markov chain Monte Carlo methods used in Bayesian clustering. Consequently, the turtle shell method -- a fully unsupervised clustering method capable of estimating non-linear boundary lines, automatically selecting the number of components, and capturing intuitive clusters in the presence of data abnormalities such as noise and/or irregular cluster shapes -- is introduced. We test this method on various simulated and real datasets commonly explored in clustering research, and extend the analysis to datasets arising from flow cytometry experiments.
ProEval: Proactive Failure Discovery and Efficient Performance Estimation for Generative AI Evaluation
Huang, Yizheng, Zeng, Wenjun, Kumaresan, Aditi, Wang, Zi
Evaluating generative AI models is increasingly resource-intensive due to slow inference, expensive raters, and a rapidly growing landscape of models and benchmarks. We propose ProEval, a proactive evaluation framework that leverages transfer learning to efficiently estimate performance and identify failure cases. ProEval employs pre-trained Gaussian Processes (GPs) as surrogates for the performance score function, mapping model inputs to metrics such as the severity of errors or safety violations. By framing performance estimation as Bayesian quadrature (BQ) and failure discovery as superlevel set sampling, we develop uncertainty-aware decision strategies that actively select or synthesize highly informative inputs for testing. Theoretically, we prove that our pre-trained GP-based BQ estimator is unbiased and bounded. Empirically, extensive experiments on reasoning, safety alignment, and classification benchmarks demonstrate that ProEval is significantly more efficient than competitive baselines. It requires 8-65x fewer samples to achieve estimates within 1% of the ground truth, while simultaneously revealing more diverse failure cases under a stricter evaluation budget.
Well-Conditioned Oblivious Perturbations in Linear Space
Chenakkod, Shabarish, Dereziลski, Michaล, Dong, Xiaoyu, Rudelson, Mark
Perturbing a deterministic $n$-dimensional matrix with small Gaussian noise is a cornerstone of smoothed analysis of algorithms [Spielman and Teng, JACM 2004], as it reduces the condition number of the input to $O(n)$, and with it the complexity of many matrix algorithms. However, when deployed algorithmically, these perturbations are expensive due to the cost of generating and storing $n^2$ Gaussian random variables. We propose a perturbation that requires generating and storing $O(n)$ random numbers in $O(\log n)$ bits of precision, and reduces the condition number of any deterministic matrix to $O(n)$, matching Gaussian perturbations. Our result in particular implies a better complexity for the perturbed conjugate gradient algorithm, showing that we can solve an $n\times n$ linear system in linear space to within an arbitrarily small constant backward error using $O(n)$ matrix-vector products. In our construction, we introduce the concept of a pattern matrix, which is a dense deterministic matrix that maps all sparse vectors into dense vectors, and we combine it with a sparse perturbation whose entries are dependent and located in a non-uniform fashion. In order to analyze this construction, we develop new techniques for lower bounding the smallest singular value of a random matrix with dependent entries.
CODA: Coordination via On-Policy Diffusion for Multi-Agent Offline Reinforcement Learning
Hedman, Marcel, Tessera, Kale-ab Abebe, Formanek, Juan Claude, Sims, Anya, Zamboni, Riccardo, McInroe, Trevor, Torr, John, Fosong, Elliot
Offline multi-agent reinforcement learning (MARL) enables policy learning from fixed datasets, but is prone to coordination failure: agents trained on static, off-policy data converge to suboptimal joint behaviours because they cannot co-adapt as their policies change. We introduce CODA (Coordination via On-Policy Diffusion for Multi-Agent Reinforcement Learning), a diffusion-based multi-agent trajectory generator for data augmentation that samples conditioned on the current joint policy, producing synthetic experience which reflects the evolving behaviours of the agents, thereby providing a mechanism for co-adaptation. We find that previous diffusion-based augmentation approaches are insufficient for fostering multi-agent coordination because they produce static augmented datasets that do not evolve as the current joint policy changes during training; CODA resolves this by more closely simulating on-policy learning and is a meaningful step toward coordinated behaviours in the offline setting. CODA is algorithm-agnostic and can be layered onto both model-free and model-based offline reinforcement learning pipelines as an augmentation module. Empirically, CODA not only resolves canonical coordination pathologies in continuous polynomial games but also delivers strong results on the more complex MaMuJoCo continuous-control benchmarks.
Nonlinear Non-Gaussian Density Steering with Input and Noise Channel Mismatch: Sinkhorn with Memory for Solving the Control-affine Schrรถdinger Bridge Problem
Bondar, Georgiy A., Eldesoukey, Asmaa, Chen, Yongxin, Halder, Abhishek
Solutions to the Schrรถdinger bridge problem and its generalizations yield feedback control policies for optimal density steering over a controlled diffusion. To numerically compute the same, the dynamic Sinkhorn recursion has become a standard approach. The mathematical engine behind this approach is the Hopf-Cole transform that recasts the conditions for optimality into a system of boundary-coupled linear PDEs. Recent works pointed out that for the control-affine Schrรถdinger bridge problem, this exact linearity via Hopf-Cole transform, and thus the standard Sinkhorn recursion, apply only if the control and noise channels are proportional. When the channels do not match, the Hopf-Cole-transformed PDEs remain nonlinear, and no algorithm is available to solve the same. We advance the state-of-the-art by designing a Sinkhorn recursion with memory that leverages the structure of these nonlinear PDEs, and demonstrate how it solves the control-affine Schrรถdinger bridge problem with input and noise channel mismatch. We prove the local stability of the proposed algorithm.
Hierarchical Spatio-Channel Clustering for Efficient Model Compression in Medical Image Analysis
Hamlomo, Sisipho, Atemkeng, Marcellin, Likassa, Habte Tadesse, Ravelo, Blaise, Bouwmans, Thierry, Lallรฉchรจre, Sรฉbastien, Vacavant, Antoine, Chen, Ding-Geng
Convolutional neural networks (CNNs) have become increasingly difficult to deploy in resource-constrained environments due to their large memory and computational requirements. Although low-rank compression methods can reduce this burden, most existing approaches compress spatial and channel redundancy independently and therefore do not fully exploit the localised structure within convolutional feature maps. This paper proposes a hierarchical spatio-channel low-rank compression framework for CNNs that exploits redundancy across spatial regions and channel activations. Unlike conventional methods, which apply a uniform decomposition across an entire layer, the proposed approach first partitions feature maps into spatial regions, then groups channels according to their co-activation patterns within each region, and finally applies rank-adaptive SVD to each resulting spatio-channel cluster. The method is evaluated on an AlexNet-based brain tumour MRI classification model and compared with Global SVD and Tucker decomposition under \(3\times\) and \(6\times\) compression budgets. Our method outperforms both baselines, reducing FLOPs from \(8.21\,\mathrm{G}\) to \(1.55\,\mathrm{G}\) (\(81.1\%\) reduction), achieving a \(1.38\times\) inference speed-up, and increasing classification accuracy from \(87.76\%\) to \(89.80\%\). The method also improves the macro \(F_1\)-score and performance on challenging classes such as meningioma. A hyper-parameter trade-off analysis demonstrates that the framework provides Pareto-optimal configurations, enabling control over the balance between compression and predictive performance. Moderate clustering with adaptive rank selection yields strong results. Bootstrap standard errors are reported for all classification metrics.
MCMC with Adaptive Principal-Component Transformation: Rotation-Invariant Universal Samplers for Bayesian Structural System Identification
Meng, Xianghao, Huang, Yong, Beck, James L., Jiang, Kui, Li, Hui
Over decades, Markov chain Monte Carlo (MCMC) methods have been widely studied, with a typical application being the quantification of posterior uncertainties in Bayesian system identification of structural dynamic models. To address the issue of excessively low sampling efficiency in generic MCMC methods when applied to specific problems, researchers developed several MCMC algorithms that integrate trainable neural networks to replace and enhance their critical components. Later, meta-learning MCMC methods emerged to reduce training time. However, they require considerable similarity between test and training tasks, while their sampling efficiency is constrained by trade-off-simplified network designs. This paper proposes the Adaptive Principal-Component (PC) Meta-learning Stochastic Gradient Hamiltonian Monte Carlo (APM-SGHMC) algorithm. It adaptively rotates coordinate axes in the parameter space to align with the PC directions of the current posterior samples, ensuring rotation-invariance of sampling performance with respect to the posterior distribution. By incorporating translation-invariance, scale-invariance, and rotation-invariance in a unified framework, APM-SGHMC enables universal samplers to acquire generalizable knowledge across diverse Bayesian system identification tasks using minimalistic tasks while eliminating the constraints imposed by network design trade-offs on sampling efficiency. Practical feasibility issues are also addressed. Two Bayesian system identification case studies demonstrate its effectiveness and universality: our method overcomes the case-by-case limitations of traditional data-driven approaches, achieving zero-shot generalization across structurally distinct models without retraining and maintaining consistent superior performance across all scenarios.
Anchored Variational Inference for Personalized Sequential Latent-State Models
Sequential latent-variable models with subject-specific random effects provide a flexible framework for modeling temporally structured data with both local latent dynamics and stable between-subject heterogeneity. In such models, conditional inference for the local latent process is often tractable, but integrating over subject-specific random effects can be computationally demanding. We propose an anchored variational inference framework for efficient approximate inference in this setting. The central idea is to replace the full conditional posterior of the local latent process with its evaluation at a representative value of the subject-specific latent effect, called the anchor point, thereby preserving tractable local inference while substantially reducing computational cost. This approximation is especially appealing in sequential settings, where the posterior distribution of the random effect becomes increasingly concentrated as the sequence length grows. Under suitable conditions, we show that the posterior mean is a nearly optimal anchor point and that the resulting anchored variational EM (AVEM) algorithm approximately preserves the local monotonicity behavior of standard variational inference. We instantiate the framework in two representative classes of sequential latent-variable models, namely mixed hidden Markov models and mixed-effects state-space models, derive the corresponding AVEM algorithms, and use simulation studies to indicate that the resulting methods achieve accurate estimation with substantial computational gains. We also discuss a partially anchored variant of the framework, in which only the components of the subject-specific latent effect whose posteriors are well concentrated are anchored.
Bootstrapping with AI/ML-generated labels
Christensen, Timothy, Goncalves, Silvia, Perron, Benoit
AI/ML methods are increasingly used in economics to generate binary variables (or labels) via classification algorithms. When these generated variables are included as covariates in regressions, even small misclassification errors can induce large biases in OLS estimators and invalidate standard inference. We study whether the bootstrap can correct this bias and deliver valid inference. We first show that a seemingly natural fixed-label bootstrap, which generates data using estimated labels but relies on a corrupted version in estimation, is generally invalid unless a strong independence condition between the latent true labels and other covariates holds. We then propose a coupled-label bootstrap that jointly resamples the true and imputed labels, and show it is valid without this condition. Two finite-sample adjustments further improve coverage: a variance correction for uncertainty in estimated misclassification rates and a Hessian rotation for near-singular designs. We illustrate the methods in simulations and apply them to investigate the relationship between wages and remote work status.
A General Representation-Based Approach to Multi-Source Domain Adaptation
Ng, Ignavier, Li, Yan, Li, Zijian, Zheng, Yujia, Chen, Guangyi, Zhang, Kun
A central problem in unsupervised domain adaptation is determining what to transfer from labeled source domains to an unlabeled target domain. To handle high-dimensional observations (e.g., images), a line of approaches use deep learning to learn latent representations of the observations, which facilitate knowledge transfer in the latent space. However, existing approaches often rely on restrictive assumptions to establish identifiability of the joint distribution in the target domain, such as independent latent variables or invariant label distributions, limiting their real-world applicability. In this work, we propose a general domain adaptation framework that learns compact latent representations to capture distribution shifts relative to the prediction task and address the fundamental question of what representations should be learned and transferred. Notably, we first demonstrate that learning representations based on all the predictive information, i.e., the label's Markov blanket in terms of the learned representations, is often underspecified in general settings. Instead, we show that, interestingly, general domain adaptation can be achieved by partitioning the representations of Markov blanket into those of the label's parents, children, and spouses. Moreover, its identifiability guarantee can be established. Building on these theoretical insights, we develop a practical, nonparametric approach for domain adaptation in a general setting, which can handle different types of distribution shifts.