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Optimization · Large Scale, Parallel and Distributed

Guanghui Min, Yinhan He, Chen Chen

Computational epidemiology is crucial in understanding and controlling infectious diseases, as highlighted by large-scale outbreaks such as COVID-19. Given the inherent uncertainty and variability of disease spread, Monte Carlo (MC) simulations are widely used to predict infection peaks, estimate reproduction numbers, and evaluate the impact of non-pharmaceutical interventions (NPIs). While effective, MC-based methods require numerous runs to achieve statistically reliable estimates and variance, which suffer from high computational costs. In this work, we present a unified theoretical framework for analyzing disease spread dynamics on both directed and undirected contact networks, and propose an algorithm, **RAPID**, that significantly improves computational efficiency. Our contributions are threefold. First, we derive an asymptotic variance lower bound for MC estimates and identify the key factors influencing estimation variance. Second, we provide a theoretical analysis of the probabilistic disease spread process using linear approximations and derive the convergence conditions under non-reinfection epidemic models. Finally, we conduct extensive experiments on six real-world datasets, demonstrating our method's effectiveness and robustness in estimating the nodes' final state distribution. Specifically, our proposed method consistently produces accurate estimates aligned with results from a large number of MC simulations, while maintaining a runtime comparable to a single MC simulation. Our code and datasets are available at https://github.com/GuanghuiMin/RAPID.

Social Aspects · Privacy-preserving Statistics and Machine Learning

Tomás González Lara, Mateo Dulce Rubio, Aaditya Ramdas, Mónica Ribero

We propose a practical sequential test for auditing differential privacy guarantees of black-box mechanisms. The test processes streams of mechanisms' outputs providing anytime-valid inference while controlling Type I error, overcoming the fixed sample size limitation of previous batch auditing methods. Experiments show this test detects violations with sample sizes that are orders of magnitude smaller than existing methods, reducing this number from 50K to a few hundred examples, across diverse realistic mechanisms. Notably, it identifies DP-SGD privacy violations in \textit{under} one training run, unlike prior methods needing full model training.

Applications · Genetics, Cell Biology, etc

Jiayi Fan, Jingyuan Yang, Shuangge Ma, Mengyun Wu

Accurate network estimation serves as the cornerstone for understanding complex systems across scientific domains, from decoding gene regulatory networks in systems biology to identifying social relationship patterns in computational sociology. Modern applications demand methods that simultaneously address two critical challenges: capturing nonlinear dependencies between variables and reconstructing inherent hierarchical structures where higher-level entities coordinate lower-level components (e.g., functional pathways organizing gene clusters). Traditional Gaussian graphical models fundamentally fail in these aspects due to their restrictive linear assumptions and flat network representations. We propose NNBLNet, a neural network-based learning framework for bi-level network inference. The core innovation lies in hierarchical selection layers that enforce structural consistency between high-level coordinator groups and their constituent low-level connections via adaptive sparsity constraints. This architecture is integrated with a compositional neural network architecture that learn cross-level association patterns through constrained nonlinear transformations, explicitly preserving hierarchical dependencies while overcoming the representational limitations of linear methods. Crucially, we establish formal theoretical guarantees for the consistent recovery of both high-level connections and their internal low-level structures under general statistical regimes. Extensive validation demonstrates NNBLNet's effectiveness across synthetic and real-world scenarios, achieving superior F1 scores compared to competitive methods and particularly beneficial for complex systems analysis through its interpretable bi-level structure discovery.

Reinforcement Learning · Everything Else

Rajdeep Haldar, Ziyi Wang, Guang Lin, Yue XING, Qifan Song

We present a theoretical framework showing that popular LLM alignment methods—including RLHF and its variants—can be understood as divergence estimators between aligned (safe or preferred) and unaligned (harmful or less-preferred) distributions. This perspective explains the emergence of separation in the latent space between safe and harmful prompts after alignment. As an application of our general divergence framework, we propose KLDO, a novel KL divergence-based alignment method, and empirically validate its effectiveness. We further show that using compliance–refusal datasets, rather than standard preference-based datasets, leads to stronger separation and improved safety alignment. Finally, to quantify the separation effect, we propose a distance-based metric in the prompt representation space, which also acts as a statistically significant indicator for model safety.

Theory · Reinforcement Learning and Planning

Yu-Jie Zhang, Sheng-An Xu, Peng Zhao, Masashi Sugiyama

We study the generalized linear bandit (GLB) problem, a contextual multi-armed bandit framework that extends the classical linear model by incorporating a non-linear link function, thereby modeling a broad class of reward distributions such as Bernoulli and Poisson. While GLBs are widely applicable to real-world scenarios, their non-linear nature introduces significant challenges in achieving both computational and statistical efficiency. Existing methods typically trade off between two objectives, either incurring high per-round costs for optimal regret guarantees or compromising statistical efficiency to enable constant-time updates. In this paper, we propose a jointly efficient algorithm that attains a nearly optimal regret bound with $\mathcal{O}(1)$ time and space complexities per round. The core of our method is a tight confidence set for the online mirror descent (OMD) estimator, which is derived through a novel analysis that leverages the notion of mix loss from online prediction. The analysis shows that our OMD estimator, even with its one-pass updates, achieves statistical efficiency comparable to maximum likelihood estimation, thereby leading to a jointly efficient optimistic method.

Theory · Learning Theory

Pierre-François Massiani, Christian Fiedler, Lukas Haverbeck, Friedrich Solowjow, Sebastian Trimpe

We propose a framework for hypothesis testing on conditional probability distributions, which we then use to construct *statistical tests of functionals of conditional distributions*. These tests identify the inputs where the functionals differ with high probability, and include tests of conditional moments or two-sample tests. Our key idea is to transform confidence bounds of a learning method into a test of conditional expectations. We instantiate this principle for kernel ridge regression (KRR) with subgaussian noise. An intermediate data embedding then enables more general tests — including *conditional two-sample tests* — via kernel mean embeddings of distributions. To have guarantees in this setting, we generalize existing pointwise-in-time or time-uniform confidence bounds for KRR to previously-inaccessible yet essential cases such as infinite-dimensional outputs with non-trace-class kernels. These bounds also circumvent the need for independent data, allowing for instance online sampling. To make our tests readily applicable in practice, we introduce bootstrapping schemes leveraging the parametric form of testing thresholds identified in theory to avoid tuning inaccessible parameters. We illustrate the tests on examples, including one in process monitoring and comparison of dynamical systems. Overall, our results establish a comprehensive foundation for conditional testing on functionals, from theoretical guarantees to an algorithmic implementation, and advance the state of the art on confidence bounds for vector-valued least squares estimation.

General Machine Learning · Transfer, Multitask and Meta-learning

Qingyue Zhang, Haohao Fu, Guanbo Huang, Yaoyuan Liang, Chang Chu, Tianren Peng, Yanru Wu, Qi Li, Yang Li, Shao-Lun Huang

Multi-source transfer learning provides an effective solution to data scarcity in real-world supervised learning scenarios by leveraging multiple source tasks. In this field, existing works typically use all available samples from sources in training, which constrains their training efficiency and may lead to suboptimal results. To address this, we propose a theoretical framework that answers the question: what is the optimal quantity of source samples needed from each source task to jointly train the target model? Specifically, we introduce a generalization error measure based on K-L divergence, and minimize it based on high-dimensional statistical analysis to determine the optimal transfer quantity for each source task. Additionally, we develop an architecture-agnostic and data-efficient algorithm OTQMS to implement our theoretical results for target model training in multi-source transfer learning. Experimental studies on diverse architectures and two real-world benchmark datasets show that our proposed algorithm significantly outperforms state-of-the-art approaches in both accuracy and data efficiency. The code is available at https://github.com/zqy0126/OTQMS.

Social Aspects · Privacy-preserving Statistics and Machine Learning

Shiji Zhou, Tianbai Yu, Zhi Zhang, Heng Chang, Xiao Zhou, Dong Wu, Han Zhao

Machine unlearning (MU) aims to efficiently remove sensitive or harmful memory from a pre-trained model. The key challenge is to balance the potential tradeoff between unlearning efficacy and utility preservation, which involves forgetting undesirable information as defined while maintaining the model's original performance. One potential way to tackle this problem is to use multi-objective optimization to jointly optimize both the unlearning and utility preservation objectives. However, existing multi-objective methods only guarantee finding a Pareto-optimal solution without fine-grained control, which causes under-optimization of the unlearning objective. To this end, we first model MU as a constrained optimization problem, that is, optimizing the unlearning objective under the constraint of a bounded increase for utility loss. We then show that solving this optimization problem is equivalent to unilateral gradient surgery on the unlearning objective. To resolve the additional computational cost brought by gradient surgery, we propose an implicit gradient surgery method, which approximates the solution to the aforementioned constrained optimization problem via only one backpropagation, thereby achieving efficient utility-preserving MU. Theoretically, we provide a tight convergence analysis of the algorithm. Empirically, our extensive experiments show that the proposed algorithm achieves better tradeoff results than existing baselines. Codes are available at https://github.com/anseryuer/EUPMU-Efficient-Utility-Preserving-Machine-Unlearning.

Social Aspects · Privacy-preserving Statistics and Machine Learning

Petros Prastakos, Kayhan Behdin, Rahul Mazumder

Sparse variable selection improves interpretability and generalization in high-dimensional learning by selecting a small subset of informative features. Recent advances in Mixed Integer Programming (MIP) have enabled solving large-scale non-private sparse regression—known as Best Subset Selection (BSS)—with millions of variables in minutes. However, extending these algorithmic advances to the setting of Differential Privacy (DP) has remained largely unexplored. In this paper, we introduce two new differentially private estimators for sparse variable selection, levering modern MIP techniques. Our framework is general and applies broadly to problems like sparse regression or classification, and we provide theoretical support recovery guarantees in the case of BSS. Inspired by the exponential mechanism, we develop structured sampling procedures that efficiently explore the non-convex objective landscape, avoiding the exhaustive combinatorial search in the exponential mechanism. We complement our theoretical findings with extensive numerical experiments, using both least squares and hinge loss for our objective function, and demonstrate that our methods achieve state-of-the-art empirical support recovery, outperforming competing algorithms in settings with up to $p=10^4$.

Applications · Time Series

Fares Mehouachi, Saif Eddin Jabari

We introduce FlowMixer, a single-layer neural architecture that leverages constrained matrix operations to model structured spatiotemporal patterns with enhanced interpretability. FlowMixer incorporates non-negative matrix mixing layers within a reversible mapping framework—applying transforms before mixing and their inverses afterward. This shape-preserving design enables a Kronecker-Koopman eigenmodes framework that bridges statistical learning with dynamical systems theory, providing interpretable spatiotemporal patterns and facilitating direct algebraic manipulation of prediction horizons without retraining. The architecture's semi-group property enables this single layer to mathematically represent any depth through composition, eliminating depth search entirely. Extensive experiments across diverse domains demonstrate FlowMixer's long-horizon forecasting capabilities while effectively modeling physical phenomena such as chaotic attractors and turbulent flows. Our results achieve performance matching state-of-the-art methods while offering superior interpretability through directly extractable eigenmodes. This work suggests that architectural constraints can simultaneously maintain competitive performance and enhance mathematical interpretability in neural forecasting systems.

Data-centric AI · Data-centric AI methods and tools

Aladin Djuhera, Swanand Kadhe, Syed Zawad, Farhan Ahmed, Heiko Ludwig, Holger Boche

Recent work on large language models (LLMs) has increasingly focused on post-training and alignment with datasets curated to enhance instruction following, world knowledge, and specialized skills. However, most post-training datasets used in leading open- and closed-source LLMs remain inaccessible to the public, with limited information about their construction process. This lack of transparency has motivated the recent development of open-source post-training corpora. While training on these open alternatives can yield performance comparable to that of leading models, systematic comparisons remain challenging due to the significant computational cost of conducting them rigorously at scale, and are therefore largely absent. As a result, it remains unclear how specific samples, task types, or curation strategies influence downstream performance when assessing data quality. In this work, we conduct the first comprehensive side-by-side analysis of two prominent open post-training datasets: Tulu-3-SFT-Mix and SmolTalk. Using the Magpie framework, we annotate each sample with detailed quality metrics, including turn structure (single-turn vs. multi-turn), task category, input quality, and response quality, and we derive statistics that reveal structural and qualitative similarities and differences between the two datasets. Based on these insights, we design a principled curation recipe that produces a new data mixture, **TuluTalk**, which contains 14% fewer samples than either source dataset while matching or exceeding their performance on key benchmarks. Our findings offer actionable insights for constructing more effective post-training datasets that improve model performance within practical resource limits. To support future research, we publicly release both the annotated source datasets and our curated TuluTalk mixture.

Applications · Neuroscience, Cognitive Science

Victor Geadah, Amin Nejatbakhsh, David Lipshutz, Jonathan Pillow, Alex Williams

Neural population activity exhibits complex, nonlinear dynamics, varying in time, over trials, and across experimental conditions. Here, we develop *Conditionally Linear Dynamical System* (CLDS) models as a general-purpose method to characterize these dynamics. These models use Gaussian Process priors to capture the nonlinear dependence of circuit dynamics on task and behavioral variables. Conditioned on these covariates, the data is modeled with linear dynamics. This allows for transparent interpretation and tractable Bayesian inference. We find that CLDS models can perform well even in severely data-limited regimes (e.g. one trial per condition) due to their Bayesian formulation and ability to share statistical power across nearby task conditions. In example applications, we apply CLDS to model thalamic neurons that nonlinearly encode heading direction and to model motor cortical neurons during a cued-reaching task.

Social Aspects · Trustworthy Machine Learning

Hsiang Hsu, Pradeep Niroula, Zichang He, Ivan Brugere, Freddy Lecue, Richard Chen

Machine unlearning offers a practical alternative to avoid full model re-training by approximately removing the influence of specific user data. While existing methods certify unlearning via statistical indistinguishability from re-trained models, these guarantees do not naturally extend to model outputs when inputs are adversarially perturbed. In particular, slight perturbations of forget samples may still be correctly recognized by the unlearned model---even when a re-trained model fails to do so---revealing a novel privacy risk: information about the forget samples may persist in their local neighborhood. In this work, we formalize this vulnerability as residual knowledge and show that it is inevitable in high-dimensional settings. To mitigate this risk, we propose a fine-tuning strategy, named RURK, that penalizes the model’s ability to re-recognize perturbed forget samples. Experiments on vision benchmarks with deep neural networks demonstrate that residual knowledge is prevalent across existing unlearning methods and that our approach effectively prevents residual knowledge.

Computer Vision · 3D Rendering & Reconstruction

Junsheng Zhou, XingYu Shi, Haichuan Song, Yi Fang, Yu-Shen Liu, Zhizhong Han

Point clouds captured by scanning sensors are often perturbed by noise, which have a highly negative impact on downstream tasks (e.g. surface reconstruction and shape understanding). Previous works mostly focus on training neural networks with noisy-clean point cloud pairs for learning denoising priors, which requires extensively manual efforts. In this work, we introduce U-CAN, an Unsupervised framework for point cloud denoising with Consistency-Aware Noise2Noise matching. Specifically, we leverage a neural network to infer a multi-step denoising path for each point of a shape or scene with a noise to noise matching schema. We achieve this by a novel loss which enables statistical reasoning on multiple noisy point cloud observations. We further introduce a novel constraint on the denoised geometry consistency for learning consistency-aware denoising patterns. We justify that the proposed constraint is a general term which is not limited to 3D domain and can also contribute to the area of 2D image denoising. Our evaluations under the widely used benchmarks in point cloud denoising, upsampling and image denoising show significant improvement over the state-of-the-art unsupervised methods, where U-CAN also produces comparable results with the supervised methods. Project page: https://gloriasze.github.io/U-CAN/.

Probabilistic Methods · Monte Carlo and Sampling Methods

Han Cui, Jingbo Liu

Conditional sampling is a fundamental task in Bayesian statistics and generative modeling. Consider the problem of sampling from the posterior distribution $P\_{X|Y=y^\*}$ for some observation $y^\*$, where the likelihood $P\_{Y|X}$ is known, and we are given $n$ i.i.d. samples $D=\\{X\_i\\}\_{i=1}^n$ drawn from an unknown prior distribution $\pi\_X$. Suppose that $f(\hat{\pi}\_{X^n})$ is the distribution of a posterior sample generated by an algorithm (e.g. a conditional generative model or the Bayes rule) when $\hat{\pi}\_{X^n}$ is the empirical distribution of the training data. Although averaging over the randomness of the training data $D$, we have $\mathbb{E}\_D\left(\hat{\pi}\_{X^n}\right)= \pi\_X$, we do not have $\mathbb{E}\_D\left\\{f(\hat{\pi}\_{X^n})\right\\}= f(\pi\_X)$ due to the nonlinearity of $f$, leading to a bias. In this paper we propose a black-box debiasing scheme that improves the accuracy of such a naive plug-in approach. For any integer $k$ and under boundedness of the likelihood and smoothness of $f$, we generate samples $\hat{X}^{(1)},\dots,\hat{X}^{(k)}$ and weights $w\_1,\dots,w\_k$ such that $\sum_{i=1}^kw_iP\_{\hat{X}^{(i)}}$ is a $k$-th order approximation of $f(\pi\_X)$, where the generation process treats $f$ as a black-box. Our generation process achieves higher accuracy when averaged over the randomness of the training data, without degrading the variance, which can be interpreted as improving memorization without compromising generalization in generative models.

Computer Vision · Segmentation

Yang Li, Aming WU, Zihao Zhang, Yahong Han

In this paper, we focus on Novel Class Discovery for Point Cloud Segmentation (3D-NCD), aiming to learn a model that can segment unlabeled (novel) 3D classes using only the supervision from labeled (base) 3D classes. The key to this task is to setup the exact correlations between the point representations and their base class labels, as well as the representation correlations between the points from base and novel classes. A coarse or statistical correlation learning may lead to the confusion in novel class inference. lf we impose a causal relationship as a strong correlated constraint upon the learning process, the essential point cloud representations that accurately correspond to the classes should be uncovered. To this end, we introduce a structural causal model (SCM) to re-formalize the 3D-NCD problem and propose a new method, i.e., Joint Learning of Causal Representation and Reasoning. Specifically, we first analyze hidden confounders in the base class representations and the causal relationships between the base and novel classes through SCM. We devise a causal representation prototype that eliminates confounders to capture the causal representations of base classes. A graph structure is then used to model the causal relationships between the base classes' causal representation prototypes and the novel class prototypes, enabling causal reasoning from base to novel classes. Extensive experiments and visualization results on 3D and 2D NCD semantic segmentation demonstrate the superiorities of our method.

Social Aspects · Privacy-preserving Statistics and Machine Learning

Seanie Lee, Sangwoo Park, Dong Bok Lee, Dominik Wagner, Haebin Seong, Tobias Bocklet, Juho Lee, Sung Ju Hwang

Low-Rank Adaptation (LoRA), which introduces a product of two trainable low-rank matrices into frozen pre-trained weights, is widely used for efficient fine-tuning of language models in federated learning (FL). However, when combined with differentially private stochastic gradient descent (DP-SGD), LoRA faces substantial noise amplification: DP-SGD perturbs per-sample gradients, and the matrix multiplication of the LoRA update ($BA$) intensifies this effect. Freezing one matrix (*e.g.*, $A$) reduces the noise but restricts model expressiveness, often resulting in suboptimal adaptation. To address this, we propose $\texttt{FedSVD}$, a simple yet effective method that introduces a global reparameterization based on singular value decomposition (SVD). In our approach, each client optimizes only the $B$ matrix and transmits it to the server. The server aggregates the $B$ matrices, computes the product $BA$ using the previous $A$, and refactorizes the result via SVD. This yields a new adaptive $A$ composed of the orthonormal right singular vectors of $BA$, and an updated $B$ containing the remaining SVD components. This reparameterization avoids quadratic noise amplification, while allowing $A$ to better capture the principal directions of the aggregate updates. Moreover, the orthonormal structure of $A$ bounds the gradient norms of $B$ and preserves more signal under DP-SGD, as confirmed by our theoretical analysis. As a result, $\texttt{FedSVD}$ consistently improves stability and performance across a variety of privacy settings and benchmarks, outperforming relevant baselines under both private and non-private regimes.

Social Aspects · Privacy-preserving Statistics and Machine Learning

Hrad Ghoukasian, Bonwoo Lee, Shahab Asoodeh

We study the problem of sampling from a distribution under local differential privacy (LDP). Given a private distribution $P \in \mathcal{P}$, the goal is to generate a single sample from a distribution that remains close to $P$ in $f$-divergence while satisfying the constraints of LDP. This task captures the fundamental challenge of producing realistic-looking data under strong privacy guarantees. While prior work by Park et al. (NeurIPS'24) focuses on global minimax-optimality across a class of distributions, we take a local perspective. Specifically, we examine the minimax error in a neighborhood around a fixed distribution $P_0$, and characterize its exact value, which depends on both $P_0$ and the privacy level. Our main result shows that the local minimax error is determined by the global minimax error when the distribution class $\mathcal{P}$ is restricted to a neighborhood around $P_0$. To establish this, we (1) extend previous work from pure LDP to the more general functional LDP framework, and (2) prove that the globally optimal functional LDP sampler yields the optimal local sampler when constrained to distributions near $P_0$. Building on this, we also derive a simple closed-form expression for the locally minimax-optimal samplers which does not depend on the choice of $f$-divergence. We further argue that this local framework naturally models private sampling with public data, where the public data distribution is represented by $P_0$. In this setting, we empirically compare our locally optimal sampler to existing global methods, and demonstrate that it consistently outperforms global minimax samplers.

Social Aspects · Privacy-preserving Statistics and Machine Learning

Qi Li, Runpeng Yu, Xinchao Wang

Multimodal large language models (MLLMs) demonstrates remarkable capabilities in handling complex multimodal tasks and are increasingly adopted in video understanding applications. However, their rapid advancement raises serious data privacy concerns, particularly given the potential inclusion of sensitive video content, such as personal recordings and surveillance footage, in their training datasets. Determining improperly used videos during training remains a critical and unresolved challenge. Despite considerable progress on membership inference attacks (MIAs) for text and image data in MLLMs, existing methods fail to generalize effectively to the video domain. These methods suffer from poor scalability as more frames are sampled and generally achieve negligible true positive rates at low false positive rates (TPR@Low FPR), mainly due to their failure to capture the inherent temporal variations of video frames and to account for model behavior differences as the number of frames varies. To address these challenges, we introduce Vid-SME (**Vid**eo **S**harma–**M**ittal **E**ntropy), the first membership inference method tailored for video data used in video understanding LLMs (VULLMs). Vid-SME leverages the confidence of model output and integrates adaptive parameterization to compute Sharma–Mittal entropy (SME) for video inputs. By leveraging the SME difference between natural and temporally-reversed video frames, Vid-SME derives robust membership scores to determine whether a given video is part of the model's training set. Experiments on various self-trained and open-sourced VULLMs demonstrate the strong effectiveness of Vid-SME.

General Machine Learning · Representation Learning

whie jung, Dong Hoon Lee, Seunghoon Hong

Recent disentangled representation learning (DRL) methods heavily rely on factor-specific strategies—either learning objectives for attributes or model architectures for objects—to embed inductive biases. Such divergent approaches result in significant overhead when novel factors of variation do not align with prior assumptions, such as statistical independence or spatial exclusivity, or when multiple factors coexist, as practitioners must redesign architectures or objectives. To address this, we propose a compositional bias, a modular inductive bias decoupled from both objectives and architectures. Our key insight is that different factors obey distinct "recombination rules" in the data distribution: global attributes are mutually exclusive, *e.g.,* a face has one nose, while objects share a common support (any subset of objects can co-exist). We therefore randomly remix latents according to factor-specific rules, *i.e.,* a mixing strategy, and force the encoder to discover whichever factor structure the mixing strategy reflects through two complementary objectives: (i) a prior loss that ensures every remix decodes into a realistic image, and (ii) the compositional consistency loss introduced by Wiedemer et al., which aligns each composite image with its corresponding composite latent. Under this general framework, simply adjusting the mixing strategy enables disentanglement of attributes, objects, and even both, without modifying the objectives or architectures. Extensive experiments demonstrate that our method shows competitive performance in both attribute and object disentanglement, and uniquely achieves joint disentanglement of global style and objects. Code is available at https://github.com/whieya/Compositional-DRL.