Research Papers

arXiv:2605.27076v1 Announce Type: cross Abstract: In many multi-agent applications, tasks yield rewards only when executed by a coalition meeting an unknown size threshold; otherwise, feedback is fully censored. This censorship creates an identifiability problem: agents cannot distinguish stochastic failure from insufficient coordination. We formalize this setting as the Threshold-Activated Cooperative Multi-Armed Bandit (TAC-MAB) and analyze it under both centralized and decentralized coordination. We show that a centralized algorithm (C-TAC) achieves cumulative regret O(log T), decomposed into a structural-search term that captures the cost of resolving feasibility under censored feedback and a statistical-monitoring term for value estimation. We then introduce D-TAC, a decentralized event-triggered protocol in which agents synchronize only when their structural beliefs change. Empirically, D-TAC achieves a 23x reduction in communication relative to the centralized baseline while pre

arXiv:2605.27088v1 Announce Type: cross Abstract: Aligning LLMs for math tutoring typically requires RL-based training with multi-GPU infrastructure. We investigate whether training-free prompt optimization-evolving only the system prompt via API calls-can serve as a practical alternative. We adapt 7 published methods and propose 5 education-specialized methods, evaluating these 12 methods under 5 conditions on 2 OOD benchmark suites. All 12 best-per-method configurations surpass the strongest RL-trained baseline (R_total = 0.633), and our ParetoGrad achieves the best Pareto balance across post-test solve rate, leak control, and helpfulness, rather than dominating any single component. Behavioral analysis with an 82-code educational codebook reveals that training-free methods rely on teaching-knowledge patterns at 2-3x the rate of RL-trained models, with a compensating ~10 percentage-point reduction in intent-level scaffolding. We also find a task-dependent reasoning mode effect consis

arXiv:2605.27093v1 Announce Type: cross Abstract: In probabilstic supervised learning of an input-output relationship - as a sample function of a Gaussian Process (GP) - priors are typically specified for the hyperparameters of the kernel that parametrises the covariance function of the GP, where the induced covariance matrix of the (resulting multivariate Normal) likelihood, governs the learning and prediction. When the sought function is highly multivariate, multiple lengthscale parameters must be learnt simultaneously, making inference difficult. We develop a ``self-assembled'' Wishart prior for the covariance matrix, while undertaking Bayesian inference on the kernel hyperparameters using MCMC. The construction uses a look-back window over recent MCMC iterations to define a time-step dependent scale matrix, thereby introducing adaptiveness to the chain. Results suggest that direct prior specification on the covariance matrix can be useful for diagnosing weakly informative inputs wi

arXiv:2605.27189v1 Announce Type: cross Abstract: This study examines the relationship between speech representations and the hierarchical structure of cognitive assessment in mild cognitive impairment. Utilizing 5,754 German neuropsychological assessment recordings, we evaluate six cognitive tasks across three score levels: task, domain, and global levels. We compare hand-crafted acoustic features with self-supervised learning (SSL) embeddings. Results show that although SSL representations generally outperform hand-crafted features at lower levels, this trend reverses for MCI classification. Furthermore, task-specific constraints influence performance: tasks with greater response freedom exhibit performance dilution as hierarchical levels increase, suggesting ``specialist'' representations, whereas the performance of highly structured tasks increases toward higher levels, suggesting ``generalist'' representations. These findings show links between task constraints and assessment hier

arXiv:1909.08210v4 Announce Type: replace Abstract: A restricted Boltzmann machine (RBM) is a two-layer neural network with shared weights and has been extensively studied for dimensionality reduction, data representation and recommendation systems in the literature. The traditional RBM requires a probabilistic interpretation of the values on both layers and a Markov chain Monte Carlo (MCMC) procedure to generate samples during the training. The contrastive divergence (CD) is efficient to train the RBM but its convergence has not been proved mathematically. In this paper, using a maximum a posteriori (MAP) estimate and the expectation maximization (EM) algorithm, we show that the CD algorithm without MCMC is convergent for the conditional likelihood object function. Another key contribution in this paper is the reformulation of the RBM into a deterministic model. Within the reformulated RBM, the CD algorithm without MCMC approximates the gradient descent (GD) method. This reformulated

arXiv:2210.02573v5 Announce Type: replace Abstract: Learning the physical simulation on large-scale meshes with flat Graph Neural Networks (GNNs) and stacking Message Passings (MPs) is challenging due to the scaling complexity w.r.t. the number of nodes and over-smoothing. There has been growing interest in the community to introduce \textit{multi-scale} structures to GNNs for physical simulation. However, current state-of-the-art methods are limited by their reliance on the labor-intensive drawing of coarser meshes or building coarser levels based on spatial proximity, which can introduce wrong edges across geometry boundaries. Inspired by the bipartite graph determination, we propose a novel pooling strategy, \textit{bi-stride} to tackle the aforementioned limitations. Bi-stride pools nodes on every other frontier of the breadth-first search (BFS), without the need for the manual drawing of coarser meshes and avoiding the wrong edges by spatial proximity. Additionally, it enables a o

arXiv:2302.13473v2 Announce Type: replace Abstract: Federated learning (FL) enables multiple data owners to build machine learning models collaboratively without exposing their private local data. In order for FL to achieve widespread adoption, it is important to balance the need for performance, privacy-preservation and interpretability, especially in mission critical applications such as finance and healthcare. Thus, interpretable federated learning (IFL) has become an emerging topic of research attracting significant interest from the academia and the industry alike. Its interdisciplinary nature can be challenging for new researchers to pick up. In this paper, we bridge this gap by providing (to the best of our knowledge) the first survey on IFL. We propose a unique IFL taxonomy which covers relevant works enabling FL models to explain the prediction results, support model debugging, and provide insights into the contributions made by individual data owners or data samples, which in

arXiv:2408.05560v2 Announce Type: replace Abstract: Stochastic gradient updates are widely used for their efficiency and scalability, but their effective step sizes can depend strongly on feature scaling and local model sensitivity. Gauss-Newton methods address such scale effects through curvature information, but in their standard mini-batch form they require matrix-vector products, linear solves, or structured approximations. This paper studies the special case of scalar-output losses evaluated one sample at a time. In this setting, the generalized Gauss-Newton matrix has rank at most one, and its only possible nonzero curvature direction is aligned with the stochastic gradient. As a result, the damped Gauss-Newton direction reduces to a closed-form scalar normalization of the sample gradient. The resulting update, Incremental Gauss-Newton Descent (IGND), requires no curvature matrix storage, factorization, or iterative linear solve. We derive the update, characterize its behavior, a

arXiv:2410.00357v2 Announce Type: replace Abstract: Neural scaling laws play a pivotal role in the performance of deep neural networks and have been observed in a wide range of tasks. However, a complete theoretical framework for understanding these scaling laws remains underdeveloped. In this paper, we explore the neural scaling laws for deep operator networks, which involve learning mappings between function spaces, with a focus on the Chen and Chen style architecture. These approaches, which include the popular Deep Operator Network (DeepONet), approximate the output functions using a linear combination of learnable basis functions and coefficients that depend on the input functions. We establish a theoretical framework to quantify the neural scaling laws by analyzing its approximation and generalization errors. We articulate the relationship between the approximation and generalization errors of deep operator networks and key factors such as network model size and training data siz

arXiv:2410.00995v3 Announce Type: replace Abstract: The automatic synthesis of analog circuits presents significant challenges. Most existing approaches formulate the problem as a single-objective optimization task, overlooking that design specifications for a given circuit type vary widely across applications. To address this, we introduce specification-conditioned analog circuit generation, a task that directly generates analog circuits based on target specifications. The motivation is to leverage existing well-designed circuits to improve automation in analog circuit design. Specifically, we propose CktGen, a simple yet effective variational autoencoder that maps discretized specifications and circuits into a joint latent space and reconstructs the circuit from that latent vector. Notably, as a single specification may correspond to multiple valid circuits, naively fusing specification information into the generative model does not capture these one-to-many relationships. To address

arXiv:2502.03946v5 Announce Type: replace Abstract: Data preprocessing is often paid little attention in machine learning, despite its potentially significant impact on model performance. While automated machine learning pipelines are starting to recognize and integrate data preprocessing into their solutions for classification and regression tasks, this integration is lacking for more specialized tasks like time-to-event models for censored data. As a result, survival analysis not only faces the general challenges of data preprocessing but also suffers from the lack of tailored, automated solutions in this area. To address this gap, this paper presents CleanSurvival, a reinforcement-learning-based solution for optimizing preprocessing pipelines, extended specifically for survival analysis. The framework can handle continuous and categorical variables. It builds upon Learn2Clean's Q-learning to select which combination of data imputation, outlier detection and feature extraction techni

arXiv:2504.00307v2 Announce Type: replace Abstract: Improving the representation of precipitation in Earth system models (ESMs) is critical for assessing the impacts of climate change and especially of extreme events like floods and droughts. In existing ESMs, precipitation is not resolved explicitly, but represented by parameterizations. These typically rely on resolving approximated but computationally expensive column-based physics, not accounting for interactions between locations. They struggle to capture fine-scale precipitation processes and introduce significant biases. We present a novel approach, based on generative machine learning, which integrates a conditional diffusion model with a UNet architecture to generate accurate, high-resolution (0.25{\deg}) global daily precipitation fields from a small set of prognostic atmospheric variables. Unlike traditional parameterizations, our framework efficiently produces ensemble predictions, capturing uncertainties in precipitation,

arXiv:2505.02974v3 Announce Type: replace Abstract: Machine learning-based surrogate models have emerged as a powerful tool to accelerate simulation-driven scientific workflows, but their adoption is limited by the lack of large-scale, diverse, and standardized datasets for physics-based simulations. Existing benchmarks often focus on narrow domains or rely on simplified data models, and fail to capture the heterogeneity arising from variable geometries, meshes, and topologies, which is critical for assessing generalization in realistic settings. We introduce PLAID (Physics-Learning AI Data model), a unified and extensible data layer for heterogeneous physics simulations. It preserves the full complexity of simulation data while enabling efficient and scalable machine learning workflows, together with a library for dataset construction and manipulation~(\href{https://github.com/PLAID-lib/plaid}{github.com/PLAID-lib/plaid}). We release six datasets covering structural mechanics and comp

arXiv:2505.21285v4 Announce Type: replace Abstract: This work proposes a framework LGKDE that learns kernel density estimation for graphs. The key challenge in graph density estimation lies in effectively capturing both structural patterns and semantic variations while maintaining theoretical guarantees. Combining graph kernels and kernel density estimation (KDE) is a standard approach to graph density estimation, but has unsatisfactory performance due to the handcrafted and fixed features of kernels. Our method LGKDE leverages graph neural networks to represent each graph as a discrete distribution and utilizes maximum mean discrepancy to learn the graph metric for multi-scale KDE, where all parameters are learned by maximizing the density of graphs relative to the density of their well-designed perturbed counterparts. The perturbations are conducted on both node features and graph spectra, which helps better characterize the boundary of normal density regions. Theoretically, we estab

arXiv:2506.09398v3 Announce Type: replace Abstract: We consider the task of predicting Hamiltonian matrices to accelerate electronic structure calculations, which plays an important role in physics, chemistry, and materials science. Motivated by the inherent relationship between the off-diagonal blocks of the Hamiltonian matrix and the SO(2) local frame, we propose a novel and efficient network, called QHNetV2, that achieves global SO(3) equivariance without the costly SO(3) Clebsch-Gordan tensor products. This is achieved by introducing a set of new efficient and powerful SO(2)-equivariant operations and performing all off-diagonal feature updates and message passing within SO(2) local frames, thereby eliminating the need of SO(3) tensor products. Moreover, a continuous SO(2) tensor product is performed within the SO(2) local frame at each node to fuse node features, mimicking the symmetric contraction operation. Extensive experiments on the large QH9 and MD17 datasets demonstrate tha