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S2MAM: Semi-supervised Meta Additive Model for Robust Estimation and Variable Selection

Zhang, Xuelin, Chen, Hong, Wang, Yingjie, Gong, Tieliang, Gu, Bin

arXiv.org Machine Learning

Semi-supervised learning with manifold regularization is a classical framework for jointly learning from both labeled and unlabeled data, where the key requirement is that the support of the unknown marginal distribution has the geometric structure of a Riemannian manifold. Typically, the Laplace-Beltrami operator-based manifold regularization can be approximated empirically by the Laplacian regularization associated with the entire training data and its corresponding graph Laplacian matrix. However, the graph Laplacian matrix depends heavily on the prespecified similarity metric and may lead to inappropriate penalties when dealing with redundant or noisy input variables. To address the above issues, this paper proposes a new \textit{Semi-Supervised Meta Additive Model (S$^2$MAM) based on a bilevel optimization scheme that automatically identifies informative variables, updates the similarity matrix, and simultaneously achieves interpretable predictions. Theoretical guarantees are provided for S$^2$MAM, including the computing convergence and the statistical generalization bound. Experimental assessments across 4 synthetic and 12 real-world datasets, with varying levels and categories of corruption, validate the robustness and interpretability of the proposed approach.


Forthcoming machine learning and AI seminars: April 2026 edition

AIHub

This post contains a list of the AI-related seminars that are scheduled to take place between 2 April and 31 May 2026. All events detailed here are free and open for anyone to attend virtually. What Do Our Benchmarks Actually Measure? Vukosi Marivate (University of Pretoria) University of Michigan Zoom link is here . Optimization Over Trained Neural Networks: What, Why, and How? Thiago Serra Azevedo Silva (University of Iowa) Association of European Operational Research Societies To receive the seminar link, sign up to the mailing list .


Adaptive Kernel Selection for Kernelized Diffusion Maps

Aboussaad, Othmane, Miraoui, Adam, Hamzi, Boumediene, Owhadi, Houman

arXiv.org Machine Learning

Selecting an appropriate kernel is a central challenge in kernel-based spectral methods. In \emph{Kernelized Diffusion Maps} (KDM), the kernel determines the accuracy of the RKHS estimator of a diffusion-type operator and hence the quality and stability of the recovered eigenfunctions. We introduce two complementary approaches to adaptive kernel selection for KDM. First, we develop a variational outer loop that learns continuous kernel parameters, including bandwidths and mixture weights, by differentiating through the Cholesky-reduced KDM eigenproblem with an objective combining eigenvalue maximization, subspace orthonormality, and RKHS regularization. Second, we propose an unsupervised cross-validation pipeline that selects kernel families and bandwidths using an eigenvalue-sum criterion together with random Fourier features for scalability. Both methods share a common theoretical foundation: we prove Lipschitz dependence of KDM operators on kernel weights, continuity of spectral projectors under a gap condition, a residual-control theorem certifying proximity to the target eigenspace, and exponential consistency of the cross-validation selector over a finite kernel dictionary.


Adaptive multi-fidelity optimization with fast learning rates

Fiegel, Come, Gabillon, Victor, Valko, Michal

arXiv.org Machine Learning

In multi-fidelity optimization, biased approximations of varying costs of the target function are available. This paper studies the problem of optimizing a locally smooth function with a limited budget, where the learner has to make a tradeoff between the cost and the bias of these approximations. We first prove lower bounds for the simple regret under different assumptions on the fidelities, based on a cost-to-bias function. We then present the Kometo algorithm which achieves, with additional logarithmic factors, the same rates without any knowledge of the function smoothness and fidelity assumptions, and improves previously proven guarantees. We finally empirically show that our algorithm outperforms previous multi-fidelity optimization methods without the knowledge of problem-dependent parameters.

  Country: Europe > Italy > Sicily > Palermo (0.04)
  Genre: Research Report (1.00)

BOAT: Navigating the Sea of In Silico Predictors for Antibody Design via Multi-Objective Bayesian Optimization

Rao, Jackie, Hernandez, Ferran Gonzalez, Gerard, Leon, Gessner, Alexandra

arXiv.org Machine Learning

Antibody lead optimization is inherently a multi-objective challenge in drug discovery. Achieving a balance between different drug-like properties is crucial for the development of viable candidates, and this search becomes exponentially challenging as desired properties grow. The ever-growing zoo of sophisticated in silico tools for predicting antibody properties calls for an efficient joint optimization procedure to overcome resource-intensive sequential filtering pipelines. We present BOAT, a versatile Bayesian optimization framework for multi-property antibody engineering. Our `plug-and-play' framework couples uncertainty-aware surrogate modeling with a genetic algorithm to jointly optimize various predicted antibody traits while enabling efficient exploration of sequence space. Through systematic benchmarking against genetic algorithms and newer generative learning approaches, we demonstrate competitive performance with state-of-the-art methods for multi-objective protein optimization. We identify clear regimes where surrogate-driven optimization outperforms expensive generative approaches and establish practical limits imposed by sequence dimensionality and oracle costs.


Generalization Guarantees on Data-Driven Tuning of Gradient Descent with Langevin Updates

Goyal, Saumya, Rongali, Rohith, Ray, Ritabrata, Póczos, Barnabás

arXiv.org Machine Learning

We study learning to learn for regression problems through the lens of hyperparameter tuning. We propose the Langevin Gradient Descent Algorithm (LGD), which approximates the mean of the posterior distribution defined by the loss function and regularizer of a convex regression task. We prove the existence of an optimal hyperparameter configuration for which the LGD algorithm achieves the Bayes' optimal solution for squared loss. Subsequently, we study generalization guarantees on meta-learning optimal hyperparameters for the LGD algorithm from a given set of tasks in the data-driven setting. For a number of parameters $d$ and hyperparameter dimension $h$, we show a pseudo-dimension bound of $O(dh)$, upto logarithmic terms under mild assumptions on LGD. This matches the dimensional dependence of the bounds obtained in prior work for the elastic net, which only allows for $h=2$ hyperparameters, and extends their bounds to regression on convex loss. Finally, we show empirical evidence of the success of LGD and the meta-learning procedure for few-shot learning on linear regression using a few synthetically created datasets.


Gradient-Variation Regret Bounds for Unconstrained Online Learning

Zhao, Yuheng, Jacobsen, Andrew, Cesa-Bianchi, Nicolò, Zhao, Peng

arXiv.org Machine Learning

We develop parameter-free algorithms for unconstrained online learning with regret guarantees that scale with the gradient variation $V_T(u) = \sum_{t=2}^T \|\nabla f_t(u)-\nabla f_{t-1}(u)\|^2$. For $L$-smooth convex loss, we provide fully-adaptive algorithms achieving regret of order $\widetilde{O}(\|u\|\sqrt{V_T(u)} + L\|u\|^2+G^4)$ without requiring prior knowledge of comparator norm $\|u\|$, Lipschitz constant $G$, or smoothness $L$. The update in each round can be computed efficiently via a closed-form expression. Our results extend to dynamic regret and find immediate implications to the stochastically-extended adversarial (SEA) model, which significantly improves upon the previous best-known result [Wang et al., 2025].


Tail-Aware Information-Theoretic Generalization for RLHF and SGLD

Zhang, Huiming, Li, Binghan, Tian, Wan, Sun, Qiang

arXiv.org Machine Learning

Classical information-theoretic generalization bounds typically control the generalization gap through KL-based mutual information and therefore rely on boundedness or sub-Gaussian tails via the moment generating function (MGF). In many modern pipelines, such as robust learning, RLHF, and stochastic optimization, losses and rewards can be heavy-tailed, and MGFs may not exist, rendering KL-based tools ineffective. We develop a tail-dependent information-theoretic framework for sub-Weibull data, where the tail parameter $θ$ controls the tail heaviness: $θ=2$ corresponds to sub-Gaussian, $θ=1$ to sub-exponential, and $0<θ<1$ to genuinely heavy tails. Our key technical ingredient is a decorrelation lemma that bounds change-of-measure expectations using a shifted-log $f_θ$-divergence, which admits explicit comparisons to Rényi divergence without MGF arguments. On the empirical-process side, we establish sharp maximal inequalities and a Dudley-type chaining bound for sub-Weibull processes with tail index $θ$, with complexity scaling as $\log^{1/θ}$ and entropy$^{1/θ}$. These tools yield expected and high-probability PAC-Bayes generalization bounds, as well as an information-theoretic chaining inequality based on multiscale Rényi mutual information. We illustrate the consequences in Rényi-regularized RLHF under heavy-tailed rewards and in stochastic gradient Langevin dynamics with heavy-tailed gradient noise.


Deep Learning for Sequential Decision Making under Uncertainty: Foundations, Frameworks, and Frontiers

Buyuktahtakin, I. Esra

arXiv.org Machine Learning

Artificial intelligence (AI) is moving increasingly beyond prediction to support decisions in complex, uncertain, and dynamic environments. This shift creates a natural intersection with operations research and management sciences (OR/MS), which have long offered conceptual and methodological foundations for sequential decision-making under uncertainty. At the same time, recent advances in deep learning, including feedforward neural networks, LSTMs, transformers, and deep reinforcement learning, have expanded the scope of data-driven modeling and opened new possibilities for large-scale decision systems. This tutorial presents an OR/MS-centered perspective on deep learning for sequential decision-making under uncertainty. Its central premise is that deep learning is valuable not as a replacement for optimization, but as a complement to it. Deep learning brings adaptability and scalable approximation, whereas OR/MS provides the structural rigor needed to represent constraints, recourse, and uncertainty. The tutorial reviews key decision-making foundations, connects them to the major neural architectures in modern AI, and discusses leading approaches to integrating learning and optimization. It also highlights emerging impact in domains such as supply chains, healthcare and epidemic response, agriculture, energy, and autonomous operations. More broadly, it frames these developments as part of a wider transition from predictive AI toward decision-capable AI and highlights the role of OR/MS in shaping the next generation of integrated learning--optimization systems.


DDO-RM for LLM Preference Optimization: A Minimal Held-Out Benchmark against DPO

Zhang, Tiantian, Zuo, Jierui, Wang, Wenping

arXiv.org Machine Learning

This paper reorganizes the current manuscript around the DPO versus DDO-RM preference-optimization project and focuses on two parts: the algorithmic view and the preliminary held-out benchmark. The benchmark asks a narrow question: even in a minimal pairwise chosen-versus-rejected setting, can a reward-guided decision-distribution update outperform a direct pairwise objective? We compare Direct Preference Optimization (DPO) against DDO-RM on EleutherAI/pythia-410m using HuggingFaceH4/ultrafeedback\_binarized, evaluate on the held-out test\_prefs split, and report results for seeds 42, 13, and 3407. Algorithmically, DDO-RM treats each prompt as a finite decision problem over candidate responses. Instead of optimizing only a binary chosen-rejected relation, it forms a policy distribution over candidates, centers reward-model scores under that distribution, and distills a reward-guided target distribution back into the policy. In the current public benchmark, DDO-RM improves mean pair accuracy from 0.5238 to 0.5602, AUC from 0.5315 to 0.5382, and mean margin from 0.1377 to 0.5353 relative to DPO. These are encouraging but still preliminary results: the study covers one model family, one dataset, one held-out evaluation split, and three seeds.