One of the powerful techniques in data modeling is accounting for features that are available at the training stage, but are not available when the trained model is used to classify or predict test data -- the Learning Using Privileged Information paradigm (LUPI). Sequential Minimal Optimization (SMO) methods have been developed for supervised Support Vector Machines (SVM), unsupervised one-class SVM, and SVM with privileged information (SVM+). The missing brick in this research has long been a one-class SVM with privileged information (OC-SVM+). In this paper, we propose an SMO algorithm for OC-SVM+ that significantly outperforms non-sequential algorithms for training the OC-SVM+ model. Its finite-time convergence is established. The experiments show how privileged information affects a descriptive domain in the space of original features. Comparative benchmark tests demonstrate that our algorithm is superior over interior point algorithms.

In this paper we prove some concentration inequalities for two types of error probabilities in the Empirical Risk Principle (ERP) in statistical learning, which provide a lower bound and an upper bound for the minimal risk (in terms of the minimal empirical risk) with non-asymptotic high confidence. The usual boundedness condition of the empirical risk function is relaxed to the Gaussian or exponential integrability condition. The confidence of the lower bound of the minimal risk is shown to be independent of the number of training parameters and the dimension of the input vectors, allowing one to detect the deficiency of a learning machine efficiently; and the confidence of the upper bound of the minimal risk is proved to be high provided that the sample size $n$ is much greater than the box dimension of the parameter set $Θ$ in the Orlicz metric $d_{ψ_1}$ associated with the risk functions. Our work is based on Talagrand's concentration inequalities (the sharp versions by Bousquet and Klein-Rio), transport-entropy inequalities and the recent progress in the theory of empirical processes and statistical learning.

Frameworks for ensuring fairness in machine learning typically focus on learning fair models from existing data. But this endeavor is often undermined by biases already present in that data. We therefore look to modify the data acquisition process itself to help gather fairer data that is inherently more suitable for training fair predictors. To this end, we introduce FairBED, which provides novel formulations for quantifying the fairness of datasets themselves based on the idea that fair datasets should be uninformative about sensitive attributes. We then use this to construct practical fairness-aware Bayesian experimental design (BED) objectives that maximize expected information gain about the target quantity of interest while minimizing expected information gain about sensitive attributes. We further derive a theoretical link between FairBED and demographic parity, and show empirically that models trained on data gathered using FairBED provide improved fairness-accuracy trade-offs compared to randomly acquired data and conventional BED.

Existing multi-view clustering methods employ various strategies to address datalevel sparsity and view-level dynamic fusion. However, we identify a critical yet overlooked issue: varying sparsity across views. Cross-view sparsity variations lead to encoding discrepancies, heightening sample-level semantic heterogeneity and making view-level dynamic weighting inappropriate. To tackle these challenges, we propose Adaptive Sparse Autoencoders for Multi-View Clustering (SparseMVC), a framework with three key modules. Initially, the sparse autoencoder probes the sparsity of each view and adaptively adjusts encoding formats via an entropymatching loss term, mitigating cross-view inconsistencies. Subsequently, the correlation-informed sample reweighting module employs attention mechanisms to assign weights by capturing correlations between early-fused global and viewspecific features, reducing encoding discrepancies and balancing contributions. Furthermore, the cross-view distribution alignment module aligns feature distributions during the late fusion stage, accommodating datasets with an arbitrary number of views. Extensive experiments demonstrate that SparseMVC achieves state-of-theart clustering performance.

We consider the empirical distribution of the embeddings of a k-layer polynomial GNN on a semi-supervised node classification task and prove a central limit theorem for them.

Therefore, practitioners often treat gradients as inputs to task-specific algorithms, e.g. for pruning or optimization. Recent works explore learning algorithms that operate directly on gradients but use architectures that are not specifically designed for gradient processing, limiting their applicability. In this paper, we present a principled approach for designing architectures that process gradients. Our approach is guided by three principles: (1) equivariant design that preserves neuron permutation symmetries, (2) processing sets of gradients across multiple data points to capture curvature information, and (3) efficient gradient representation through rank-1 decomposition. Based on these principles, we introduce GradMetaNet, a novel architecture for learning on gradients, constructed from simple equivariant blocks. We prove universality results for GradMetaNet, and show that previous approaches cannot approximate natural gradient-based functions that GradMetaNet can. We then demonstrate GradMetaNet's effectiveness on a diverse set of gradient-based tasks on MLPs and transformers, such as learned optimization, INR editing, and estimating loss landscape curvature.

Designing enzyme backbones with substrate-specific functionality is a critical challenge in computational protein engineering. Current generative models excel in protein design but face limitations in binding data, substrate-specific control, and flexibility for de novo enzyme backbone generation. To address this, we introduce EnzyBind, a dataset with 11,100 experimentally validated enzyme-substrate pairs specifically curated from PDBbind. Building on this, we propose EnzyControl, a method that enables functional and substrate-specific control in enzyme backbone generation. Our approach generates enzyme backbones conditioned on MSAannotated catalytic sites and their corresponding substrates, which are automatically extracted from curated enzyme-substrate data. At the core of EnzyControl is EnzyAdapter, a lightweight, modular component integrated into a pretrained motifscaffolding model, allowing it to become substrate-aware. A two-stage training paradigm further refines the model's ability to generate accurate and functional enzyme structures. Experiments show that our EnzyControl achieves the best performance across structural and functional metrics on EnzyBind and EnzyBench benchmarks, with particularly notable improvements of 13% in designability and 13% in catalytic efficiency compared to the baseline models.

We study offline policy optimization for infinite-horizon average-reward Markov decision processes (MDPs) with large or infinite state spaces. Specifically, we propose a pessimistic version of actor-critic methods using a computationally efficient linear function class for value function estimation. At the core of our method is a critic that computes a pessimistic estimate of the average reward under the current policy, as well as the corresponding policy gradient, by solving a fixedpoint Bellman equation, rather than solving a successive sequence of regression problems as in finite horizon settings. Due to the nature of our policy-based method, the critic only needs to solve a linear optimization problem with convex quadratic constraints. We show that a very mild data coverage requirement is sufficient for our algorithm to achieve O(ε 2) sample complexity for learning a near-optimal policy up to model misspecification errors. To our knowledge, this is the first result with optimal εdependence in the offline average reward setting.

Aligning large language models with human feedback at inference time has received increasing attention due to its flexibility. Existing methods rely on generating multiple responses from the base policy for search using a reward model, which can be considered as searching in a discrete response space. However, these methods struggle to explore informative candidates when the base policy is weak or the candidate set is small, resulting in limited effectiveness. In this paper, to address this problem, we propose Simple Energy Adaptation (SEA), a simple yet effective algorithm for inference-time alignment.

The famous theorem of Fritz John states that any convex body has a unique maximal volume inscribed ellipsoid, known as the John Ellipsoid. Computing the John Ellipsoid is a fundamental problem in convex optimization. In this paper, we focus on approximating the John Ellipsoid inscribed in a convex and centrally symmetric polytope defined by P:= {x Rd: 1n Ax 1n}, where A Rn d is a rank-d matrix and 1n Rn is the all-ones vector. We develop two efficient algorithms for approximating the John Ellipsoid. The first is a sketchingbased algorithm that runs in nearly input-sparsity time eO(nnz(A)+dω), where nnz(A)denotes the number of nonzero entries in the matrix Aand ω 2.37is the current matrix multiplication exponent. The second is a treewidth-based algorithm that runs in time eO(nτ2), where τ is the treewidth of the dual graph of the matrix A. Our algorithms significantly improve upon the state-of-the-art running time of eO(nd2)achieved by [Cohen, Cousins, Lee, and Yang, COLT 2019].