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General Machine Learning · Evaluation

Ali Al-Lawati, Jason Lucas, Dongwon Lee, Suhang Wang

Benchmark datasets are critical for reproducible, reliable and discriminative evaluation of LLMs. However, recent studies reveal that many benchmark datasets are included in pretraining corpora, i.e. *contaminated*, which diminishes their value as a reliable measure of model generalization. In this position paper, we argue that benchmark datasets should be *contamination-resistant*, i.e. *unlearnable* but support *inference*. To accomplish this, we first underline the wide prevalence of benchmark dataset contamination and outline the properties of contamination-resistant datasets. Second, we highlight how the asymmetry between the inference and training pipelines in the Transformer architecture can be leveraged to support contamination-resistance. Third, we outline mathematical advancements to make these datasets interoperable across various LLM architectures. Based on the above, we call on the community to ensure the reliability of LLM benchmarking by: (i) advancing novel contamination-resistant methodologies, (ii) develop supporting methods and platforms, and (iii) adopt contamination-resistant benchmarks into existing evaluation pipelines.

Applications · Robotics

Rui Song, Tianhui Cai, Markus Gross, Yun Zhang, Walter Zimmer, Zhiyu Huang, Olaf Wysocki, Jiaqi Ma

3D Gaussian Splatting (3DGS) has been widely adopted for scene reconstruction, where training inherently constitutes a highly coupled and non-convex optimization problem. Recent works commonly incorporate geometric priors, such as LiDAR measurements, either for initialization or as training constraints, with the goal of improving photometric reconstruction quality. However, in large-scale outdoor scenarios, such geometric supervision is often spatially incomplete and uneven, which limits its effectiveness as a reliable prior and can even be detrimental to the final reconstruction. To address this challenge, we model partially observable geometry as a continuous energy field induced by geometric evidence and propose EnerGS. Rather than enforcing geometry as a hard constraint, EnerGS provides a soft geometric guidance for the optimization of Gaussian primitives, allowing geometric information to steer the optimization process without directly restricting the solution space. Extensive experiments on large-scale outdoor scenes demonstrate that, under both sparse multi-view and monocular settings, EnerGS consistently improves photometric quality and geometric stability, while effectively mitigating overfitting during 3DGS training.

Optimization · Everything Else

Yitian Chen, Dongdong Ge, Cheng Cheng, Yinan Sun, Zi Ling

We investigate the capabilities and scalability of Large Language Models (LLMs) in optimization modeling, a domain requiring structured reasoning and precise formulation. To this end, we introduce OPT-ENGINE, an extensible benchmark framework with quantifiable and controllable complexity. OPT-ENGINE spans ten canonical operations research problems, systematically scaling from Linear Programming to Mixed-Integer Programming, thus providing a structured environment to probe the limits of automated problem formulation and solving. Our results reveal a sharp performance degradation as task complexity scale, highlighting a critical robustness gap in pure-text reasoning. While LLMs struggle with end-to-end solution generation, we demonstrate that tool-integrated reasoning provides a significantly more resilient path forward, regardless of model size. Furthermore, we identify the automated formulation of the constraints as the primary bottleneck. These insights clarify the limitations of current LLMs and provide a structured roadmap for developing next-generation LLMs for optimization modeling.

Optimization · Everything Else

Adrián Javaloy, Antonio Vergari

Orthogonality constraints are ubiquitous in robust and probabilistic machine learning. Unfortunately, current optimizers are computationally expensive and do not scale to problems with hundreds or thousands of constraints. One notable exception is the Landing algorithm (Ablin et al., 2024) which, however comes at the expense of temporarily relaxing orthogonality. In this work, we revisit and improve on the ideas behind Landing, enabling the inclusion of modern adaptive optimizers while ensuring that orthogonal constraints are effectively met. Remarkably, these improvements come at little to no cost, and reduce the number of required hyperparemeters. Our algorithm POGO is fast and GPU-friendly, _consisting of only 5 matrix products_, and in practice maintains orthogonality at all times. On several challenging benchmarks, POGO greatly outperforms recent optimizers and shows it can optimize problems with thousands of orthogonal matrices in minutes while alternatives would take hours. As such, POGO sets a milestone to finally exploit orthogonality constraints in ML at scale.

Optimization · Everything Else

Minhao Zou, Tao Ren, Jinyang Jiang, Rui Tao, Zehao Li, Jiale Fu, Hui Shao, Xianhua Liu, Yijie Peng

Gradient-based optimization is fundamental to deep learning, yet standard backpropagation (BP) is inherently limited by the requirement of differentiability, rendering it brittle when encountering piecewise-constant objectives with vanishing gradients (e.g., hard 0-1 loss) or black-box feedback. While likelihood ratio (LR) methods offer a theoretical alternative, their high variance in high-dimensional spaces often undermines training stability and scalability. We propose OVLR (Output-Level Variance-Reduced Likelihood Ratio), a simple yet powerful framework that circumvents this fundamental trade-off by providing a unified solution for efficient, scalable, and robust gradient estimation. OVLR achieves dramatic variance reduction by performing perturbations and antithetic sampling in the low-dimensional output space. Crucially, the method maintains high computational efficiency: it requires only a single deterministic forward pass through the neural network, with additional costs restricted to evaluating the loss function across multiple samples. Designed as a drop-in replacement, OVLR integrates seamlessly into automatic differentiation frameworks via vector-Jacobian products, enabling the direct optimization of objectives with vanishing or pathological gradients, such as the 0-1 loss for noise-tolerant classification and truncated losses for outlier-resistant regression, where BP fails to provide reliable learning signals. Extensive empirical results across image classification, generative modeling, language modeling, and robot imitation learning demonstrate that OVLR not only matches BP performance on problems with informative gradients, but also provides a decisive advantage on problems with vanishing or inaccessible gradients.

Applications · Everything Else

Marcio Monteiro, Weichen Li, Puyu Wang, Marius Kloft, Sophie Fellenz

Selecting a pretrained large language model (LLM) to fine-tune for a task-specific dataset can be time-consuming and costly. With several candidate models available to choose from, varying in size, architecture, and pretraining data, finding the best model for a specific task often involves extensive trial and error. In addition, the "best" model may not necessarily be the one with the lowest test loss, as practical considerations such as deployment costs, inference throughput, and limited search budgets might also play crucial roles. To address this, we introduce LAMPS (LAnguage Model Pareto Selection), a novel and open-source multi-objective AutoML framework that meta-learns a resource allocation policy to efficiently identify (or approximate) the Pareto front of candidate LLMs for a task-specific dataset. It is based on two key ideas: (1) landmark fine-tuning, which generates early performance indicators of the candidate models, and (2) meta-learning via reinforcement learning, which learns an effective selection policy from historical performance data (a meta-dataset). Our results show that, on held-out datasets, LAMPS reduces search time by an average of 73\% compared to exhaustive search, while still covering more than 99\% of the optimal target space hypervolume.

Optimization · Non-Convex

Shihong Ding, Fangyu Du, Cong Fang

Multi-task learning (MTL) has emerged as a pivotal paradigm in machine learning by leveraging shared structures across multiple related tasks. Despite its empirical success, the development of likelihood-based efficiently solvable algorithms—even for shared linear representations—remains largely underdeveloped, primarily due to the non-convex structure intrinsic to matrix factorization. This paper introduces a first-order algorithm that jointly learns a shared representation and task-specific parameters, with guaranteed computational efficiency. Notably, it converges in $\tilde{O}(1)$ iterations and attains a \emph{near-optimal} estimation error of $\widetilde{O}(dk/(TN))$, \emph{improving} over existing likelihood-based methods by a factor of $k$, where $d$, $k$, $T$, $N$ denote input dimension, representation dimension, task count, and samples per task, respectively. Our results demonstrate that likelihood-based first-order methods can also efficiently solve the MTL problem.

Social Aspects · Fairness

Chengbo Zhang, Zhen Yao, Hao Pang, Changcheng Li

Fairness in machine learning prediction has attracted growing attention in recent years. In this article, we propose a causal–inference–based framework for fair prediction, defined through path-specific counterfactual interventions. Instead of imposing fairness via constraints on predictive objectives or model parameters, our approach specifies fairness directly at the level of counterfactual prediction semantics. Given a learned causal graph, we construct a predictive distribution for the outcome $Y$ using a structural causal model and generate counterfactual predictions by selectively intervening on causal paths emanating from sensitive attributes. By allowing or blocking the propagation of sensitive information along designated paths, possibly involving multiple sensitive sources, our framework induces a hierarchy of interpretable fairness notions, generalizing standard path-specific causal semantics. Our empirical experiments demonstrate how different fairness levels can be instantiated and compared in practice.

Optimization · Non-Convex

Ying Chen, Aoxi Li, Javad Lavaei

Sharpness-Aware Minimization (SAM) empirically boosts generalization by seeking parameters that minimize the worst-case loss in a small neighborhood, yet existing theory explains its behavior under either strong convexity or small perturbation radius. We revisit SAM through the bilevel minimax problem $\min_{\theta}\max_{\|\Delta\|\le\rho}l(\theta+\Delta)$ and derive a $(\theta,\Delta)$ gradient flow ODE whose equilibria coincide with the problem’s optimality conditions. A Lyapunov argument—free of convexity assumptions—quantifies how the optimality gap depends on the radius~$\rho$ and local curvature. Discretizing the flow yields a \emph{Multi-step SAM} algorithm that recovers classical SAM as $\rho\!\to\!0$. {Moreover, our analysis and the resulting algorithm remain valid even for large $\rho$, providing principled guidance for aggressive neighborhood exploration.} Experiments on synthetic objectives and CIFAR-10 validate the predicted gains from multiple inner updates, bridging the gap between SAM’s minimax intuition and its practical implementation.

Social Aspects · Security

Jane Downer, Yingdan Shi, Ziyan Liu, Ren Wang, Binghui Wang

Graph Neural Networks (GNNs) are widely deployed in industry, making their intellectual property valuable. However, protecting GNNs from unauthorized use remains a challenge. Watermarking offers a solution by embedding ownership information into models. Existing watermarking methods have two limitations: First, they rarely focus on graph data or GNNs. Second, the \emph{de facto} backdoor-based method relies on manipulating training data, which can introduce ownership ambiguity through misclassification and vulnerability to data poisoning attacks that can interrupt the backdoor mechanism. Our explanation-based watermarking inherits the strengths of backdoor-based methods (e.g., black-box verification) without data manipulation, eliminating ownership ambiguity and data dependencies. In particular, we watermark GNN explanations such that these explanations are statistically distinct from others, so ownership claims must be verified through statistical significance. We theoretically prove that, even with full knowledge of our method, locating the watermark is NP-hard. Empirically, our method demonstrates robustness to fine-tuning and pruning attacks. By addressing these challenges, our approach significantly advances GNN intellectual property protection.

Optimization · Large Scale, Parallel and Distributed

haoyuan liang, Zhiyu Ye, Jielong Tang, Yang Yang, Shilei Cao, Guowen Li, Fei Hu, Zhiwei Zhang, Haohuan Fu, Juepeng Zheng

As Multimodal Large Language Models (MLLMs) continue to be trained, the availability of public data diminishes, limiting the possibility for further training and adaptation. However, private data remains an underutilized yet valuable resource. Federated Learning (FL) enables decentralized training on private data, yet extending it to MLLMs is challenging: heterogeneous client modalities induce architectural incompatibility, and full-parameter fine-tuning of billion-scale models incurs prohibitive communication costs. Parameter-efficient methods like LoRA alleviate these issues but introduce aggregation inconsistency, as averaged low-rank updates fail to recover the true global update faithfully. To address these issues, we propose **UniFLoW**(Universal multi-modal Federated LoRA fine-tuning framework With Analytical Aggregation), a unified federated framework that leverages pre-trained large language models and a multi-modal Encoder architecture, and our proposed Federated Aggregating Analytical Low-Rank Adaption$FedA^2$-$LoRA$). UniFLoW effectively utilizes fragmented client-side multi-modal data while $FedA^2$-$LoRA$ ensuring consistent aggregation. And modality-specific encoders and a II stage training strategy ensure effective integration of diverse modalities without overfitting. Experiments on text, image, and speech demonstrate that **UniFLoW** enables scalable, communication-efficient, and aggregation-consistent federated fine-tuning, with $FedA^2$-$LoRA$ achieving state-of-the-art performance compared to existing FedLoRA approaches. We envision UniFLoW as a promising solution to the growing scarcity of public data.

Social Aspects · Privacy

Yingdan Shi, Ren Wang

Machine Unlearning (MU) aims to remove the information of specific training data from a trained model, ensuring compliance with privacy regulations and user requests. While one line of existing MU methods relies on linear parameter updates via task arithmetic, they suffer from weight entanglement. In this work, we propose a novel MU framework called Mode Connectivity Unlearning (MCU) that leverages mode connectivity to find an unlearning pathway in a nonlinear manner. To further enhance performance and efficiency, we introduce a parameter mask strategy that not only improves unlearning effectiveness but also reduces computational overhead. Moreover, we propose an adaptive adjustment strategy for our unlearning penalty coefficient to adaptively balance forgetting quality and predictive performance during training, eliminating the need for empirical hyperparameter tuning. Unlike traditional MU methods that identify only a single unlearning model, MCU uncovers a spectrum of unlearning models along the pathway. Overall, MCU serves as a plug-and-play framework that seamlessly integrates with any existing MU methods, consistently improving unlearning efficacy. Extensive experiments on the image classification task demonstrate that MCU achieves superior performance. The codes are available at https://anonymous.4open.science/r/MCU-1E36.

Reinforcement Learning · Online

Kaixuan Ji, Jiafan He, Quanquan Gu

Aligning large language models (LLM) with human preference plays a key role in building modern generative models and can be achieved by reinforcement learning from human feedback (RLHF). Despite their superior performance, current RLHF approaches often require a large amount of human-labelled preference data, which is expensive to collect. In this paper, inspired by the success of active learning, we address this problem by proposing query-efficient RLHF methods. We first formalize the alignment problem as a contextual dueling bandit problem and design an active-query-based proximal policy optimization (APPO) algorithm with an $\tilde{O}(d^2/\Delta)$ instance-dependent regret bound and an $\tilde{O}(d^2/\Delta^2)$ query complexity, where $d$ is the dimension of feature space and $\Delta$ is the sub-optimality gap over all the contexts. We then propose ADPO, a practical version of our algorithm based on direct preference optimization (DPO) and apply it to fine-tuning LLMs. Our experiments show that ADPO, while only making about half of queries for human preference, matches the performance of DPO, establishing it as a data-efficient alternative to DPO. The codes are available at https://github.com/jkx19/ActiveQuery.

Optimization · Discrete and Combinatorial Optimization

Morteza Monemizadeh, Kiarash Banihashem, Peyman Jabbarzade, MohammadTaghi Hajiaghayi, Samira Goudarzi

Non-monotone submodular maximization is a fundamental problem in machine learning and combinatorial optimization, with a range of applications including text and video summarization, recommendation systems, feature selection, Max Cut problems in graphs, and viral marketing strategies. In this work, we study non-monotone submodular maximization under a cardinality constraint $k$ in the fully dynamic setting, and obtain results that improve upon the previously established approximation guarantees of $(0.125 - \epsilon)$ using $\tilde{O}(\epsilon^{-1}k^2)$ oracle queries per update (NeurIPS'20) and $0.171$ using $\tilde{O}(\epsilon^{-3}k^4)$ oracle queries per update (NeurIPS'25). We present a dynamic algorithm that achieves a $0.262$-approximation with worst-case expected update time $O(\epsilon^{-3}\log(k)\log(\epsilon^{-1}k) + \epsilon^{-2}k^2\log(k))$, where $0 < \epsilon \leq 1$ is the error parameter. We also obtain another dynamic algorithm with update time bounded by $\text{poly}(\epsilon^{-1}, k)$ that achieves a $0.277$-approximation guarantee.

Optimization · Convex

Nicholas Di, Eric Chi, Samy Wu Fung

Operator splitting algorithms are a cornerstone of modern first-order optimization, decomposing complex problems into simpler subproblems solved via proximal operators. However, most functions lack closed-form proximal operators, which has long restricted these methods to a narrow set of problems. Hamilton-Jacobi-based proximal operator (HJ-Prox) is a recent derivative-free Monte Carlo technique based on Hamilton-Jacobi PDE theory, that approximates proximal operators numerically. In this work, we introduce a unified framework for operator splitting via HJ-Prox, which allows for deployment of operator splitting even when functions are not proximable. We prove that replacing exact proximal steps with HJ-Prox in algorithms such as proximal point, proximal gradient descent, Douglas–Rachford splitting, Davis–Yin splitting, and primal–dual hybrid gradient preserves convergence guarantees under mild assumptions. Numerical experiments demonstrate HJ-Prox is competitive and effective on a wide variety of statistical learning tasks.

General Machine Learning · Unsupervised and Semi-supervised Learning

Ran Eisenberg, Ofir Lindenbaum

Many learning problems require uncovering a hidden ordering that reveals structure in unordered data, such as monotonicity in sorting or spatial continuity in jigsaw reconstruction. In these settings, permutations can be learned as latent operators by optimizing objectives defined directly on the reordered output, often without access to ground-truth orderings. Differentiable relaxations such as Gumbel–Sinkhorn make this approach practical by approximating permutation matrices with doubly stochastic matrices. However, learning from structure without supervision induces a non-uniform uncertainty: some assignments become confident early, while others remain ambiguous. Existing methods control this process using a single global temperature, forcing all assignments to sharpen or diffuse simultaneously and leading to instability at scale. We introduce an entropy-adaptive formulation of Gumbel–Sinkhorn that locally modulates temperature based on assignment uncertainty. This allows confident assignments to discretize early while preserving exploration where uncertainty remains. Across sorting and jigsaw reconstruction tasks and in routing-style settings, adaptive entropy control improves training stability and final permutation quality relative to fixed-temperature baselines, particularly as problem size and assignment ambiguity increase.

Deep Learning · Foundation Models

David Schiff, Ofir Lindenbaum, Yonathan Efroni

Recent advancements in machine learning have largely been driven by foundation models (FMs) trained on large, diverse datasets, enabling them to generalize effectively to new, related tasks. However, extending this paradigm to reinforcement learning (RL), where an agent interacts with an environment to select actions, remains a significant challenge. Most existing approaches train FMs directly on sets of control tasks, but developing diverse RL environments and scaling training across them can be costly and complex. In this study, we explore a simpler alternative approach based on a classical reduction from RL to regression. We demonstrate that a foundation model pre-trained for regression tasks, when used as an in-context regression (ICR) model, can be directly applied to RL problems. Building on this insight, we introduce a gradient-free method, ICR-RL, that requires no additional training and leverages an ICR foundation model to tackle RL tasks. We evaluate our approach by applying the ICR model with the recently proposed TabPFN, which is trained on a wide range of regression tasks. Experiments conducted on the Gymnasium classic-control benchmark indicate that ICR-RL matches or outperforms state-of-the-art methods, including DQN and PPO. These results show that ICR foundation models can effectively solve RL tasks without fine-tuning, demonstrating their potential as a foundation for RL-oriented models

Social Aspects · Safety

Yingdan Shi, Sijia Liu, Kaize Ding, Ren Wang

Machine unlearning seeks to remove the influence of specified data from a trained model. While the unlearning accuracy provides a widely used metric for assessing unlearning performance, it falls short in assessing the reliability of forgetting. In this paper, we find that the forgetting data points misclassified by unlearning accuracy still have their ground truth labels included in the conformal prediction set from the uncertainty quantification perspective, leading to a phenomenon we term fake forgetting. To address this issue, we propose a novel metric CR, inspired by conformal prediction, that offers a more reliable assessment of forgetting quality. Building on these insights, we further propose an unlearning framework CPU that incorporates conformal prediction into the Carlini & Wagner adversarial attack loss, enabling the ground truth label to be effectively removed from the conformal prediction set. Through extensive experiments on image classification tasks, we demonstrate both the effectiveness of our proposed metric and the superior forgetting quality achieved by our framework. Code is available at https://anonymous.4open.science/r/MUCP-60E4.

General Machine Learning · Everything Else

Kejing Lu, Zhenpeng Pan, Jianbin Qin, Yoshiharu Ishikawa, Chuan Xiao

Approximate Nearest Neighbor Search (ANNS) is fundamental to modern AI applications. Most existing solutions optimize query efficiency but fail to align with the practical requirements of modern workloads. In this paper, we outline six critical demands of modern AI applications: high query efficiency, fast indexing, low memory footprint, scalability to high dimensionality, robustness across varying retrieval sizes, and support for online insertions. To satisfy all these demands, we introduce Projection-Augmented Graph (PAG), a new ANNS framework that integrates projection techniques into a graph index. PAG reduces unnecessary exact distance computations through asymmetric comparisons between exact and approximate distances guided by projection-based statistical tests. Three key components are designed and unified to the graph index to optimize indexing and searching. Experiments on six modern datasets demonstrate that PAG consistently achieves superior query per second (QPS)-recall performance---up to 5×faster than HNSW---while offering fast indexing speed and small memory footprint. PAG remains robust as dimensionality and retrieval size increase and naturally supports online insertions. Our source code is available at: https://anonymous.4open.science/r/PAG-A73D/ .

General Machine Learning · Everything Else

Hang Su, Yijun Mo, Zhiyu Zhang, Yankai Jiang, Bo Liu, Yichen Li, Imran Razzak

Federated Continual Learning (FCL) enables the continuous acquisition of knowledge from streaming tasks, but inherently struggles with the temporal dynamics of client data distributions. These dynamics naturally induce asynchronous concept drift, where distribution shifts occur independently across clients at unsynchronized times and with varying magnitudes. Such asynchrony generates conflicting updates that destabilize global convergence and exacerbate catastrophic forgetting. However, existing FCL research focuses on static or incremental settings, typically treating all incoming updates uniformly, which obscures concept drift under divergent distributions and fails to adapt to the evolution of learned concepts. To address these limitations, we propose RC-FCL, a retrospective calibration framework for FCL that can effectively distinguish asynchronous concept drift and adjust the learning strategy adaptively. Specifically, RC-FCL leverages a conditional generative model to synthesize class-conditional reference distributions of previously learned concepts for local drift detection. It calibrates local adaptation using a weighting mechanism driven by the local discriminator to prioritize informative samples, and executes a global aggregation strategy based on drift magnitude. Our experimental results demonstrate that RC-FCL achieves competitive performance against state-of-the-art methods.