News & Research

arXiv:2506.21137v3 Announce Type: replace Abstract: Linear attention mitigates the quadratic complexity of softmax attention but suffers from a critical loss of expressiveness. We identify two primary causes: (1) The normalization operation cancels the query norm, which breaks the correlation between a query's norm and the spikiness (entropy) of the attention distribution as in softmax attention. (2) Standard techniques for enforcing non-negativity cause destructive information loss by nullifying valid inner-product interactions. To address these challenges, we introduce NaLaFormer, a novel linear attention mechanism built upon a norm$\times$direction (ND) decomposition of the query and key vectors. We leverage each component to solve a distinct problem: The query norm is injected into our kernel to create a query-norm-aware map that restores the attention distribution's spikiness. The direction vectors are processed by a geometric, cosine-based similarity metric that guarantees non-ne

arXiv:2507.02628v2 Announce Type: replace Abstract: The reliability of clinical artificial intelligence (AI) depends on high-quality data, yet Electronic Health Records are often inconsistent with existing scientific knowledge. Current quality assessments are limited: they either focus on syntax or rely on labor-intensive manual rules to capture semantic nuances. To overcome these scalability barriers, we propose Medical Data Pecking, a methodology that adopts software unit testing principles for medical data validation. It introduces Semantic Data Coverage, employing Large Language Models to generate context-aware tests that "peck" for inconsistencies between observed data and epidemiological evidence. To demonstrate this methodology, we implemented a reference tool using a Retrieval-Augmented Generation architecture that synthesizes medical literature into executable code. When applied to three datasets, this implementation generated dozens of tests per cohort, identifying discrepanc

arXiv:2507.03159v2 Announce Type: replace Abstract: We present \texttt{MathOptAI.jl}, an open-source Julia library for embedding trained machine learning predictors into a JuMP model. \texttt{MathOptAI.jl} can embed a wide variety of neural networks, decision trees, and Gaussian Processes into a larger mathematical optimization model. In addition to interfacing a range of Julia-based machine learning libraries such as \texttt{Lux.jl} and \texttt{Flux.jl}, \texttt{MathOptAI.jl} uses Julia's Python interface to provide support for PyTorch models. When the PyTorch support is combined with \texttt{MathOptAI.jl}'s gray-box formulation, the function, Jacobian, and Hessian evaluations associated with the PyTorch model are offloaded to the GPU in Python, while the rest of the nonlinear oracles are evaluated on the CPU in Julia. \MathOptAI is available at https://github.com/lanl-ansi/MathOptAI.jl under a BSD-3 license.

arXiv:2508.21620v2 Announce Type: replace Abstract: Decision theories offer principled methods for making choices under various types of uncertainty. Algorithms that implement these theories have been successfully applied to a wide range of real-world problems, including materials and drug discovery. Indeed, they are desirable since they can adaptively gather information to make better decisions in the future, resulting in data-efficient workflows. In scientific discovery, where experiments are costly, these algorithms can thus significantly reduce the cost of experimentation. Theoretical analyses of these algorithms are crucial for understanding their behavior and providing valuable insights for developing next-generation algorithms. However, theoretical analyses in the literature are often inaccessible to non-experts. This monograph aims to provide an accessible, self-contained introduction to the theoretical analysis of commonly used probabilistic decision-making algorithms, includi

arXiv:2509.04445v2 Announce Type: replace Abstract: Recent AI trends seek to align AI models to learned human-centric objectives, such as personal preferences, utility, or societal values. Using standard preference elicitation methods, researchers and practitioners build models of human decisions and judgments, to which AI models are aligned. However, standard elicitation methods often fail to capture the cognitive processes behind human decision making, such as heuristics or simplifying structured thought patterns. To address this failure, we take an axiomatic approach to learning cognitively faithful decision processes from pairwise comparisons. Building on the literature analyzing cognitive processes that shape human decision-making, we derive a model class in which features are first processed with learned rules, then aggregated via a fixed rule, such as the Bradley-Terry rule, to produce a decision. This structured processing of information ensures that such models are realistic a

arXiv:2509.13608v2 Announce Type: replace Abstract: As Large Multimodal Models (LMMs) become integral to daily digital life, understanding their safety architectures is a critical problem for AI Alignment. This paper presents a systematic analysis of OpenAI's GPT-4o mini, a globally deployed model, on the difficult task of multimodal hate speech detection. Using the Hateful Memes Challenge dataset, we conduct a multi-phase investigation on 500 samples to probe the model's reasoning and failure modes. Our central finding is the experimental identification of a "Unimodal Bottleneck," an architectural flaw where the model's advanced multimodal reasoning is systematically preempted by context-blind safety filters. A quantitative validation of 144 content policy refusals reveals that these overrides are triggered in equal measure by unimodal visual 50% and textual 50% content. We further demonstrate that this safety system is brittle, blocking not only high-risk imagery but also benign, com

arXiv:2509.15543v2 Announce Type: replace Abstract: Existing decentralized stochastic optimization methods assume the lower-level loss function is strongly convex and the stochastic gradient noise has finite variance. These strong assumptions typically are not satisfied in real-world machine learning models. For example, learning on language data typically leads to heavy-tailed gradient. To address these limitations, we develop a novel decentralized stochastic bilevel optimization algorithm for the nonconvex bilevel optimization problem under heavy-tailed noise. Specifically, we develop a normalized stochastic variance-reduced bilevel gradient descent algorithm, which does not rely on any clipping operation. Moreover, we establish its convergence rate by innovatively bounding interdependent gradient sequences under heavy-tailed noise for nonconvex decentralized bilevel optimization problems. As far as we know, this is the first decentralized bilevel optimization algorithm with rigorous

arXiv:2509.16139v5 Announce Type: replace Abstract: Predicting the extreme hydrodynamic response of porous and architected lattice materials is a fundamental challenge in high energy density physics, where shock-induced pore collapse, baroclinic vorticity, and anomalous kinetic and thermodynamic states must be resolved across multiple scales. Traditional high-fidelity hydrocodes are computationally prohibitive for large-scale design exploration in applications like planetary defense and inertial confinement fusion. We present a multi-field spatio-temporal model (MSTM) designed to overcome the limitations of standard machine learning surrogates, which often fail to capture the sharp gradients and non-linear field couplings characteristic of shock propagation. By training on high-fidelity, multiscale multiphysics data, MSTM simultaneously evolves seven coupled thermodynamic and kinetic fields - including pressure, temperature, density, and velocity - across complex material architectures

arXiv:2509.23413v2 Announce Type: replace Abstract: Multi-task neural routing solvers have emerged as a promising paradigm for their ability to solve multiple vehicle routing problems (VRPs) using a single model. However, existing neural solvers typically rely on predefined problem constraints or require per-problem fine-tuning, which substantially limits their zero-shot generalization ability to unseen VRP variants. To address this critical bottleneck, we propose URS, a unified neural routing solver that achieves zero-shot generalization across a wide range of unseen VRPs with a single model. We propose a unified data representation (UDR) that replaces problem enumeration with data unification, thereby broadening the problem coverage and reducing reliance on domain expertise. In addition, we introduce a Mixed Bias Module (MBM) during encoding to improve node embeddings, which efficiently captures multiple priors inherent to various problems. On top of the UDR, we develop a problem-con

arXiv:2509.24050v4 Announce Type: replace Abstract: Device-cloud collaboration holds promise for deploying large language models (LLMs), leveraging lightweight on-device models for efficiency while relying on powerful cloud models for superior reasoning. A central challenge in this setting is determining, for each incoming query, whether it should be processed locally or offloaded to the cloud. Existing approaches typically rely on external routers, which often struggle to determine difficulty from the prompt itself, especially for tasks involving complex reasoning. Motivated by this limitation, we propose enabling on-device LLMs to decide internally whether to invoke cloud assistance at inference time, with this capability instilled through reinforcement learning based post-training. Casting on-device LLM post-training as a reward maximization problem, we design hierarchical rewards to encourage local problem solving and judicious cloud offloading. To solve the resulting problem, we d

arXiv:2510.00387v3 Announce Type: replace Abstract: This study uses controlled simulations with known ground-truth parameters to evaluate how Distributional Latent Variable Models (DLVM) and Bayesian Distributional Active LEarning (DALE) perform in comparison to conventional Independent Maximum Likelihood Estimation (IMLE). DLVM integrates observations across multiple executive function tasks and individuals, allowing parameter estimation even under sparse or incomplete data conditions. To establish known-ground truth, we uniformly sample individual sessions from a neural network learned latent space and map them to distributional cognitive performance across different tasks. The individual test-items are then sampled from these distributions using either DALE, random procedure or a standard fixed battery approach. When given the same set of observations, DLVM consistently outperformed IMLE, especially under smaller amounts of data, and converges faster to highly accurate estimates of

arXiv:2510.01184v2 Announce Type: replace Abstract: We present a mechanism to steer the sampling diversity of denoising diffusion and flow matching models, allowing users to sample from a sharper or broader distribution than the training distribution. We build on the observation that these models leverage (learned) score functions of noisy data distributions for sampling and show that rescaling these allows one to effectively control a 'local' sampling temperature. Notably, this approach does not require any finetuning or alterations to training strategy, and can be applied to any off-the-shelf model and is compatible with both deterministic and stochastic samplers. We first validate our framework on toy 2D data, and then demonstrate its application for diffusion models trained across five disparate tasks -- image generation, pose estimation, depth prediction, robot manipulation, and protein design. We find that across these tasks, our approach allows sampling from sharper (or flatter)

arXiv:2510.01384v4 Announce Type: replace Abstract: A natural desideratum for generative models is self-correction--detecting and revising low-quality tokens at inference. While Masked Diffusion Models (MDMs) have emerged as a promising approach for generative modeling in discrete spaces, their capacity for self-correction remains poorly understood. Prior attempts to incorporate self-correction into MDMs either require overhauling MDM architectures/training or rely on imprecise proxies for token quality, limiting their applicability. Motivated by this, we introduce PRISM--Plug-in Remasking for Inference-time Self-correction of Masked Diffusions--a lightweight, model-agnostic approach that applies to any pretrained MDM. Theoretically, PRISM defines a self-correction loss that provably learns per-token quality scores, without RL or a verifier. These quality scores are computed in the same forward pass with MDM and used to detect low-quality tokens. Empirically, PRISM advances MDM inferen

arXiv:2510.02730v2 Announce Type: replace Abstract: Exponentiated gradient descent (EGD), a biologically motivated optimisation algorithm that respects Dale's law, produces log-normally distributed synaptic weights at convergence, in alignment with experimental observations in neuroscience. Since the marginal distribution of geometric Brownian motion (GBM) at any fixed time is log-normal, this convergence property reveals a natural connection between EGD and GBM-based stochastic processes. We propose a multiplicative score-based generative model with GBM as a forward noising process and derive its corresponding reverse-time SDE in both the ambient space and in the $\log$-transformed space. We derive two multiplicative samplers by discretising the corresponding reverse-time SDEs: a sign-agnostic sampler obtained directly from the ambient-space reverse-time SDE, and a sign-preserving sampler, which we refer to as the Dale-Langevin sampler, obtained via the Lamperti transform. We connect

arXiv:2510.06672v3 Announce Type: replace Abstract: Reinforcement learning algorithms such as GRPO have driven recent advances in large language model (LLM) reasoning. While scaling the number of rollouts stabilizes training, existing approaches suffer from limited exploration on challenging prompts and leave informative feedback signals underexploited, due to context-independent rollout allocation across prompts (e.g., generating 16 rollouts per prompt) and relying heavily on sparse rewards. This paper presents XRPO(eXplore - eXploit GRPO), a unified framework that recasts policy optimization through the principled lens of rollout exploration-exploitation. To enhance exploration, XRPO introduces a mathematically grounded rollout allocator that adaptively prioritizes prompts with higher potential for uncertainty reduction. It further addresses stagnation on zero-reward prompts through an in-context seeding strategy that injects curated exemplars, steering the model into more difficult