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Computer Science Machine Learning

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Wednesday 8 April

Machine Learning · Cross-listed from math.OC

A Generalized Sinkhorn Algorithm for Mean-Field Schrödinger Bridge

The mean-field Schrödinger bridge (MFSB) problem concerns designing a minimum-effort controller that guides a diffusion process with nonlocal interaction to reach a given distribution from another by a fixed deadline. Unlike the standard Schrödinger bridge, the dynamical constraint for MFSB is the mean-field limit of a population of interacting agents with controls. It serves as a natural model for large-scale multi-agent systems. The MFSB is computationally challenging because the nonlocal interaction makes the problem nonconvex. We propose a generalization of the Hopf-Cole transform for MFSB and, building on it, design a Sinkhorn-type recursive algorithm to solve the associated system of integro-PDEs. Under mild assumptions on the interaction potential, we discuss convergence guarantees for the proposed algorithm. We present numerical examples with repulsive and attractive interactions to illustrate the theoretical contributions.
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Tuesday 7 April

Machine Learning · Cross-listed from cs.CV

Reasoning-Guided Grounding: Elevating Video Anomaly Detection through Multimodal Large Language Models

Video Anomaly Detection (VAD) has traditionally been framed as binary classification or outlier detection, providing neither interpretable reasoning nor precise spatial localization of anomalous events. While Vision-Language Models (VLMs) offer rich scene understanding, they struggle with reliable spatial grounding - often producing hallucinated or geometrically invalid bounding boxes when asked to localize objects. We propose VANGUARD (Video Anomaly Understanding through Reasoning and Grounding), a framework that unifies anomaly classification, spatial grounding, and chain-of-thought reasoning within a single VLM. VANGUARD introduces a three-stage curriculum that progressively layers training objectives: (1) classifier warmup on frozen backbone features, (2) LoRA-adapted spatial grounding, and (3) chain-of-thought generation. To overcome the sparse annotation typical of VAD benchmarks, we employ a teacher-student annotation pipeline in which a VLM (Qwen3-VL-4B) generates structured per-subclip reasoning trajectories based on manual annotations available from the UCA Dataset. Further, GroundingDINO provides bounding box supervision. On UCF-Crime, VANGUARD achieves 94% ROC-AUC with 84% F1 while simultaneously producing interpretable chain-of-thought explanations and spatial grounding of anomalous objects - capabilities absent from prior VAD methods. Ablations confirm that staged training outperforms monolithic optimization, and that structured reasoning acts as an implicit regularizer yielding more balanced predictions than classification-only fine-tuning. Zero-shot transfer to XD-Violence and ShanghaiTech demonstrates cross-domain generalization without target-domain adaptation.
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Machine Learning

Agentic AI-Based Joint Computing and Networking via Mixture of Experts and Large Language Models

Future sixth-generation (6G) mobile networks are envisioned to be equipped with a diverse set of powerful, yet highly specialized, optimization experts. Such a promising vision is concurrently expected to give rise to the need for scalable mechanisms that can select, combine, and orchestrate such experts based on high-level intent and uncertainty descriptions. In this paper, we propose an agentic artificial intelligence (AI)-based network optimization framework that integrates mixture of experts (MoE) architectures with large language models (LLMs). Under the proposed framework, the employed LLM acts as a semantic gate to reason over operator objectives and dynamically compose suitable optimization agents. The proposed framework is formulated in a model-agnostic manner and bridges human-readable network intents with low-level resource allocation decisions, enabling flexible optimization across heterogeneous objectives and operating conditions. As a representative instantiation, we apply the framework to a joint communication and computing network and design a library of specialized optimization experts covering throughput, fairness, and delay-driven objectives under both regular and robust conditions. Numerical simulations demonstrate that the proposed agentic MoE framework consistently achieves near-optimal performance compared to exhaustive expert combinations while outperforming individual experts across diverse objectives, including delay minimization and throughput maximization.
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All authors Robert-Jeron Reifert, Alaa Alameer Ahmad, Hayssam Dahrouj, Aydin Sezgin

Machine Learning · Cross-listed from cs.AI

Understanding Emergent Misalignment via Feature Superposition Geometry

Emergent misalignment, where fine-tuning on narrow, non-harmful tasks induces harmful behaviors, poses a key challenge for AI safety in LLMs. Despite growing empirical evidence, its underlying mechanism remains unclear. To uncover the reason behind this phenomenon, we propose a geometric account based on the geometry of feature superposition. Because features are encoded in overlapping representations, fine-tuning that amplifies a target feature also unintentionally strengthens nearby harmful features in accordance with their similarity. We give a simple gradient-level derivation of this effect and empirically test it in multiple LLMs (Gemma-2 2B/9B/27B, LLaMA-3.1 8B, GPT-OSS 20B). Using sparse autoencoders (SAEs), we identify features tied to misalignment-inducing data and to harmful behaviors, and show that they are geometrically closer to each other than features derived from non-inducing data. This trend generalizes across domains (e.g., health, career, legal advice). Finally, we show that a geometry-aware approach, filtering training samples closest to toxic features, reduces misalignment by 34.5%, substantially outperforming random removal and achieving comparable or slightly lower misalignment than LLM-as-a-judge-based filtering. Our study links emergent misalignment to feature superposition, providing a basis for understanding and mitigating this phenomenon.
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All authors Gouki Minegishi, Hiroki Furuta, Takeshi Kojima, Yusuke Iwasawa, Yutaka Matsuo

Machine Learning · Cross-listed from cs.AI

Handbook of Rough Set Extensions and Uncertainty Models

Rough set theory models uncertainty by approximating target concepts through lower and upper sets induced by indiscernibility, or more generally, by granulation relations in data tables. This perspective captures vagueness caused by limited observational resolution and supports set-theoretic reasoning about what can be determined with certainty and what remains only possible. This book is written as a map of models. Rather than developing a single algorithmic pipeline in depth, it provides a systematic survey of the main rough set paradigms and their extension routes. More specifically, representative variants are organized according to (i) the underlying granulation mechanism, such as equivalence-based, tolerance-based, covering-based, neighborhood-based, and probabilistic approximations, and (ii) the uncertainty semantics attached to data and relations, such as crisp, fuzzy, intuitionistic fuzzy, neutrosophic, and plithogenic settings. The book also explains how each choice changes the form of approximations and the interpretation of boundary regions. Throughout the book, small illustrative examples are used to clarify modeling intent and typical use cases in classification and decision support. Finally, an important clarification of scope should be noted. Since the main purpose of this book is to provide a map of models, the Abstract and Introduction should not lead readers to expect that feature reduction and rule induction are primary objectives. Although these topics are central in the rough set literature, they are treated here mainly as motivating applications and as entry points to the broader research landscape. The principal aim of the book is to survey and position rough set models and their extensions in a systematic and coherent manner.
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Machine Learning · Cross-listed from cs.AI

SkillGraph: Graph Foundation Priors for LLM Agent Tool Sequence Recommendation

LLM agents must select tools from large API libraries and order them correctly. Existing methods use semantic similarity for both retrieval and ordering, but ordering depends on inter-tool data dependencies that are absent from tool descriptions. As a result, semantic-only methods can produce negative Kendall-$\tau$ in structured workflow domains. We introduce SkillGraph, a directed weighted execution-transition graph mined from 49,831 successful LLM agent trajectories, which encodes workflow-precedence regularities as a reusable graph foundation prior. Building on this graph foundation prior, we propose a two-stage decoupled framework: GS-Hybrid retrieval for candidate selection and a learned pairwise reranker for ordering. On ToolBench (9,965 test instances; ~16,000 tools), the method reaches Set-F1 = 0.271 and Kendall-$\tau$ = 0.096; on API-Bank, Kendall-$\tau$ improves from -0.433 to +0.613. Under identical Stage-1 inputs, the learned reranker also outperforms LLaMA-3.1-8B Stage-2 rerankers.
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Machine Learning

Sampling for Quality: Training-Free Reward-Guided LLM Decoding via Sequential Monte Carlo

We introduce a principled probabilistic framework for reward-guided decoding in large language models, addressing the limitations of standard decoding methods that optimize token-level likelihood rather than sequence-level quality. Our method defines a reward-augmented target distribution over complete sequences by combining model transition probabilities with prefix-dependent reward potentials. Importantly, the approach is training-free: it leaves model weights unchanged and instead modifies the inference distribution via reward potentials, with all gains arising purely from inference-time sampling. To sample from this distribution, we develop Sequential Monte Carlo algorithms, including a computationally efficient prefix-only variant and a lookahead variant whose intermediate targets match the exact marginals of the full sequence distribution. The framework also integrates resample-move updates with Metropolis-Hastings rejuvenation and supports block-wise generation, subsuming common decoding strategies such as temperature sampling and power-tempered objectives. Empirical results across three 7B models show significant gains. On code generation (HumanEval), our method improves base performance by up to 54.9% and surpasses the strongest sampling baselines by 9.1%-15.3%. On mathematical reasoning (MATH500), it achieves gains of up to 8.8%. Notably, it reaches 87.8% on HumanEval and 78.4% on MATH500 with Qwen2.5-7B, consistently outperforming the reinforcement learning method GRPO.
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All authors Jelena Markovic-Voronov, Wenhui Zhu, Bo Long, Zhipeng Wang, Suyash Gupta, Kayhan Behdin, Bee-Chung Chen, Deepak Agarwal

Machine Learning · Cross-listed from cs.CL

SynopticBench: Evaluating Vision-Language Models on Generating Weather Forecast Discussions of the Future

Recent advances in visual-language models (VLMs) have led to significant improvements in a plethora of complex multimodal tasks like image captioning, report generation, and visual perception. However, generating text from meteorological data is highly challenging because the atmosphere is a chaotic system that is rapidly changing at various spatial and temporal scales. Given the complexity of atmospheric phenomena, it is critical to verifiably quantify the effectiveness of existing VLMs on weather forecasting data. In this work, we present SynopticBench, a high-quality dataset consisting of 1,367,041 text samples of Area Forecast Discussions created by the National Weather Service over the continental United States paired to images of 500mb geopotential height, 2 meter temperature, and 850mb wind velocity in weather forecasts. We also present Synoptic Phenomena Alignment and Coverage Evaluation (SPACE), a novel evaluation framework that can be used to effectively estimate the quality of text descriptions of synoptic weather phenomena. Extensive experiments on generating forecast discussions using state-of-the-art VLMs show the sensitivity of existing evaluation metrics in this domain and enable further exploration into synoptic weather and climate text generation.
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Machine Learning · Cross-listed from cs.CY

Evaluating Intersectional Fairness across Clinical Machine Learning Use Cases using Fairlogue and the All of Us Research Program

Intersectional biases in healthcare data can produce compound disparities in clinical machine learning models, yet most fairness evaluations assess demographic attributes independently. FairLogue, a toolkit for intersectional fairness auditing, was applied across multiple clinical prediction tasks to evaluate disparities across combined demographic groups. Using the All of Us dataset, two published models were selected for replication and evaluation: (A) prediction of selective serotonin reuptake inhibitor associated bleeding events and (B) two-year stroke risk in patients with atrial fibrillation. Observational fairness metrics were computed across race, gender, and intersectional subgroups, followed by counterfactual analysis to evaluate whether disparities were attributable to group membership. Intersectional evaluation revealed larger disparities than single-axis analyses; however, counterfactual diagnostics indicated that most observed disparities were comparable to those expected under randomized group membership. These results highlight the importance of intersectional fairness auditing and demonstrate how FairLogue provides deeper insight into bias in clinical machine learning systems.
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Machine Learning · Cross-listed from eess.SY

FM-CAC: Carbon-Aware Control for Battery-Buffered Edge AI via Time-Series Foundation Models

As edge AI deployments scale to billions of devices running always-on, real-time compound AI pipelines, they represent a massive and largely unmanaged source of energy consumption and carbon emissions. To reduce carbon emissions while maximizing Quality-of-Service (QoS), this paper proposes FM-CAC, a proactive carbon-aware control framework that leverages a battery as an active temporal buffer. By decoupling energy acquisition from energy consumption, FM-CAC can maximize the use of low-carbon energy, substantially reducing carbon emissions. At each control step, FM-CAC jointly optimizes the software pipeline variant, the hardware operating point, and the battery charging and discharging actions. To support this decision process, FM-CAC leverages edge-friendly Time-Series Foundation Models (TSFMs) for zero-shot carbon forecasting and integrates these forecasts into a dynamic programming solver with deferred cost attribution to prevent myopic battery depletion. Results show that FM-CAC reduces carbon emissions by up to 65.6% while maintaining near-maximum inference accuracy.
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All authors Kang Yang, Walid A. Hanafy, Prashant Shenoy, Mani Srivastava

Machine Learning · Cross-listed from cs.CV

A High-Accuracy Optical Music Recognition Method Based on Bottleneck Residual Convolutions

Optical Music Recognition (OMR) aims to convert printed or handwritten music score images into editable symbolic representations. This paper presents an end-to-end OMR framework that combines residual bottleneck convolutions with bidirectional gated recurrent unit (BiGRU)-based sequence modeling. A convolutional neural network with ResNet-v2-style residual bottleneck blocks and multi-scale dilated convolutions is used to extract features that encode both fine-grained symbol details and global staff-line structures. The extracted feature sequences are then fed into a BiGRU network to model temporal dependencies among musical symbols. The model is trained using the Connectionist Temporal Classification loss, enabling end-to-end prediction without explicit alignment annotations. Experimental results on the Camera-PrIMuS and PrIMuS datasets demonstrate the effectiveness of the proposed framework. On Camera-PrIMuS, the proposed method achieves a sequence error rate (SeER) of $7.52\%$ and a symbol error rate (SyER) of $0.45\%$, with pitch, type, and note accuracies of $99.33\%$, $99.60\%$, and $99.28\%$, respectively. The average training time is 1.74~s per epoch, demonstrating high computational efficiency while maintaining strong recognition performance. On PrIMuS, the method achieves a SeER of $8.11\%$ and a SyER of $0.49\%$, with pitch, type, and note accuracies of $99.27\%$, $99.58\%$, and $99.21\%$, respectively. A fine-grained error analysis further confirms the effectiveness of the proposed model.
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All authors Junwen Ma, Huhu Xue, Xingyuan Zhao, and Weicheng Fu

Machine Learning · Cross-listed from eess.AS

SAND: The Challenge on Speech Analysis for Neurodegenerative Disease Assessment

Recent advances in Artificial Intelligence (AI) and the exploration of noninvasive, objective biomarkers, such as speech signals, have encouraged the development of algorithms to support the early diagnosis of neurodegenerative diseases, including Amyotrophic Lateral Sclerosis (ALS). Voice changes in subjects suffering from ALS typically manifest as progressive dysarthria, which is a prominent neurodegenerative symptom because it affects patients as the disease progresses. Since voice signals are complex data, the development and use of advanced AI techniques are fundamental to extracting distinctive patterns from them. Validating AI algorithms for ALS diagnosis and monitoring using voice signals is challenging, particularly due to the lack of annotated reference datasets. In this work, we present the outcome of a collaboration between a multidisciplinary team of clinicians and Machine Learning experts to create both a clinically annotated validation dataset and the "Speech Analysis for Neurodegenerative Diseases" (SAND) challenge based on it. Specifically, by analyzing voice disorders, the SAND challenge provides an opportunity to develop, test, and evaluate AI models for the automatic early identification and prediction of ALS disease progression.
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All authors Giovanna Sannino, Ivanoe De Falco, Nadia Brancati, Laura Verde, Maria Frucci, Daniel Riccio, Vincenzo Bevilacqua, Antonio Di Marino, Lucia Aruta, Valentina Virginia Iuzzolino, Gianmaria Senerchia, Myriam Spisto, Raffaele Dubbioso

Machine Learning · Cross-listed from eess.SY

Thermal-GEMs: Generalized Models for Building Thermal Dynamics

Data-driven models for building thermal dynamics are a scalable approach for enabling energy-efficient operation through fault detection & diagnosis or advanced control. To obtain accurate models, measurement data from a target building spanning months to years are required. Transfer Learning (TL) mitigates this challenge by employing pretrained models based on single or multiple source buildings. General multi-source TL models promise to outperform single-source TL, but alternative multi-source modeling architectures remain to be explored, and evaluation on real-world data is missing. Moreover, time series foundation models (TSFM) have emerged as candidates for the best-performing general models. Hence, we conduct a first, comprehensive assessment of general modeling approaches for building thermal dynamics, including multi-source TL and TSFMs. Our assessment includes ablations using four state-of-the-art multi-source TL architectures and evaluations on synthetic as well as real-world data. We demonstrate that multi-source TL models are highly effective in accurately modeling buildings in real-world applications, yielding up to 63% lower forecasting errors compared to single-source TL. Moreover, our results suggest a trade-off between multi-source TL models exclusively pretrained with building data and TSFMs pretrained with a multitude of different time series, revealing that data from 16-32 source buildings must be available over 1 year for pretraining multi-source TL models to consistently outperform TSFMs as evaluated using the mean absolute error. These findings provide practical guidance for selecting modeling strategies based on the number of source buildings available for pretraining multi-source TL models.
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Machine Learning · Cross-listed from eess.SP

The Breakthrough of Sleep: A Contactless Approach for Accurate Sleep Stage Detection Using the Sleepal AI Lamp

Sleep staging is essential for the assessment of sleep quality and the diagnosis of sleep-related disorders. Conventional polysomnography (PSG), while considered the gold standard, is intrusive, labor-intensive, and unsuitable for long-term monitoring. This study evaluates the performance of the Sleepal AI Lamp, a contactless, radar-based consumer-grade sleep tracker, in comparison with gold-standard polysomnography (PSG), using a large-scale dataset comprising 1022 overnight recordings. We extract multi-scale respiratory and motion-related features from radar signals to train a frequency-augmented deep learning model. For the binary sleep-wake classification task, experimental results demonstrated that the model achieved an accuracy of 92.8% alongside a macro-averaged F1 score of 0.895. For four-stage classification (wake, light NREM (N1 + N2), deep NREM (N3), REM), the model achieved an accuracy of 78.5% with a Cohen's kappa coefficient of 0.695 in healthy individuals and maintained a stable accuracy of 77.2% with a kappa of 0.677 in a heterogeneous population including patients with varying severities of obstructive sleep apnea (OSA). These experimental results demonstrate that the sleep staging performance of the contactless Sleepal AI Lamp is in high agreement with expert-labeled PSG sleep stages. Our findings suggest that non-contact radar sensing, combined with advanced temporal modeling, can provide reliable sleep staging performance without requiring physical contact or wearable devices. Owing to its unobtrusive nature, ease of deployment, and robustness to long-term use, the contactless Sleepal AI Lamp shows strong potential for clinical screening, home-based sleep assessment, and continuous longitudinal sleep monitoring in real-world medical and healthcare applications.
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All authors Zhuo Diao, Yueting Li, Jianpeng Wang, Shengyu Guan, Xinwei Wang, Wenxiong Cui, Xin Shi, Tong Liu, Kailai Sun, Jingyu Wang, Dian Fan, Thomas Penzel

Machine Learning · Cross-listed from cs.CV

PASTA: Vision Transformer Patch Aggregation for Weakly Supervised Target and Anomaly Segmentation

Detecting unseen anomalies in unstructured environments presents a critical challenge for industrial and agricultural applications such as material recycling and weeding. Existing perception systems frequently fail to satisfy the strict operational requirements of these domains, specifically real-time processing, pixel-level segmentation precision, and robust accuracy, due to their reliance on exhaustively annotated datasets. To address these limitations, we propose a weakly supervised pipeline for object segmentation and classification using weak image-level supervision called 'Patch Aggregation for Segmentation of Targets and Anomalies' (PASTA). By comparing an observed scene with a nominal reference, PASTA identifies Target and Anomaly objects through distribution analysis in self-supervised Vision Transformer (ViT) feature spaces. Our pipeline utilizes semantic text-prompts via the Segment Anything Model 3 to guide zero-shot object segmentation. Evaluations on a custom steel scrap recycling dataset and a plant dataset demonstrate a 75.8% training time reduction of our approach to domain-specific baselines. While being domain-agnostic, our method achieves superior Target (up to 88.3% IoU) and Anomaly (up to 63.5% IoU) segmentation performance in the industrial and agricultural domain.
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Machine Learning · Cross-listed from cs.AI

OpenKedge: Governing Agentic Mutation with Execution-Bound Safety and Evidence Chains

The rise of autonomous AI agents exposes a fundamental flaw in API-centric architectures: probabilistic systems directly execute state mutations without sufficient context, coordination, or safety guarantees. We introduce OpenKedge, a protocol that redefines mutation as a governed process rather than an immediate consequence of API invocation. OpenKedge requires actors to submit declarative intent proposals, which are evaluated against deterministically derived system state, temporal signals, and policy constraints prior to execution. Approved intents are compiled into execution contracts that strictly bound permitted actions, resource scope, and time, and are enforced via ephemeral, task-oriented identities. This shifts safety from reactive filtering to preventative, execution-bound enforcement. Crucially, OpenKedge introduces an Intent-to-Execution Evidence Chain (IEEC), which cryptographically links intent, context, policy decisions, execution bounds, and outcomes into a unified lineage. This transforms mutation into a verifiable and reconstructable process, enabling deterministic auditability and reasoning about system behavior. We evaluate OpenKedge across multi-agent conflict scenarios and cloud infrastructure mutations. Results show that the protocol deterministically arbitrates competing intents and cages unsafe execution while maintaining high throughput, establishing a principled foundation for safely operating agentic systems at scale.
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Machine Learning · Cross-listed from stat.ML

NS-RGS: Newton-Schulz based Riemannian gradient method for orthogonal group synchronization

Group synchronization is a fundamental task involving the recovery of group elements from pairwise measurements. For orthogonal group synchronization, the most common approach reformulates the problem as a constrained nonconvex optimization and solves it using projection-based methods, such as the generalized power method. However, these methods rely on exact SVD or QR decompositions in each iteration, which are computationally expensive and become a bottleneck for large-scale problems. In this paper, we propose a Newton-Schulz-based Riemannian Gradient Scheme (NS-RGS) for orthogonal group synchronization that significantly reduces computational cost by replacing the SVD or QR step with the Newton-Schulz iteration. This approach leverages efficient matrix multiplications and aligns perfectly with modern GPU/TPU architectures. By employing a refined leave-one-out analysis, we overcome the challenge arising from statistical dependencies, and establish that NS-RGS with spectral initialization achieves linear convergence to the target solution up to near-optimal statistical noise levels. Experiments on synthetic data and real-world global alignment tasks demonstrate that NS-RGS attains accuracy comparable to state-of-the-art methods such as the generalized power method, while achieving nearly a 2$\times$ speedup.
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All authors Haiyang Peng, Deren Han, Xin Chen, Meng Huang

Machine Learning

The Role of Emotional Stimuli and Intensity in Shaping Large Language Model Behavior

Emotional prompting - the use of specific emotional diction in prompt engineering - has shown increasing promise in improving large language model (LLM) performance, truthfulness, and responsibility. However these studies have been limited to single types of positive emotional stimuli and have not considered varying degrees of emotion intensity in their analyses. In this paper, we explore the effects of four distinct emotions - joy, encouragement, anger, and insecurity - in emotional prompting and evaluate them on accuracy, sycophancy, and toxicity. We develop a prompt-generation pipeline with GPT-4o mini to create a suite of LLM and human-generated prompts with varying intensities across the four emotions. Then, we compile a "Gold Dataset" of prompts where human and model labels align. Our empirical evaluation on LLM behavior suggests that positive emotional stimuli lead to more accurate and less toxic results, but also increase sycophantic behavior.
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All authors Ameen Patel, Felix Lee, Kyle Liang, Joseph Thomas

Machine Learning · Cross-listed from math.OC

Stochastic Auto-conditioned Fast Gradient Methods with Optimal Rates

Achieving optimal rates for stochastic composite convex optimization without prior knowledge of problem parameters remains a central challenge. In the deterministic setting, the auto-conditioned fast gradient method has recently been proposed to attain optimal accelerated rates without line-search procedures or prior knowledge of the Lipschitz smoothness constant, providing a natural prototype for parameter-free acceleration. However, extending this approach to the stochastic setting has proven technically challenging and remains open. Existing parameter-free stochastic methods either fail to achieve accelerated rates or rely on restrictive assumptions, such as bounded domains, bounded gradients, prior knowledge of the iteration horizon, or strictly sub-Gaussian noise. To address these limitations, we propose a stochastic variant of the auto-conditioned fast gradient method, referred to as stochastic AC-FGM. The proposed method is fully adaptive to the Lipschitz constant, the iteration horizon, and the noise level, enabling both adaptive stepsize selection and adaptive mini-batch sizing without line-search procedures. Under standard bounded conditional variance assumptions, we show that stochastic AC-FGM achieves the optimal iteration complexity of $O(1/\sqrt{\varepsilon})$ and the optimal sample complexity of $O(1/\varepsilon^2)$.
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Machine Learning · Cross-listed from quant-ph

Soft-Quantum Algorithms

Quantum operations on pure states can be fully represented by unitary matrices. Variational quantum circuits, also known as quantum neural networks, embed data and trainable parameters into gate-based operations and optimize the parameters via gradient descent. The high cost of training and low fidelity of current quantum devices, however, restricts much of quantum machine learning to classical simulation. For few-qubit problems with large datasets, training the matrix elements directly, as is done with weight matrices in classical neural networks, can be faster than decomposing data and parameters into gates. We propose a method that trains matrices directly while maintaining unitarity through a single regularization term added to the loss function. A second training step, circuit alignment, then recovers a gate-based architecture from the resulting soft-unitary. On a five-qubit supervised classification task with 1000 datapoints, this two-step process produces a trained variational circuit in under four minutes, compared to over two hours for direct circuit training, while achieving lower binary cross-entropy loss. In a second experiment, soft-unitaries are embedded in a hybrid quantum-classical network for a reinforcement learning cartpole task, where the hybrid agent outperforms a purely classical baseline of comparable size.
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All authors Basil Kyriacou, Mo Kordzanganeh, Maniraman Periyasamy, Alexey Melnikov

Machine Learning

Efficient Quantization of Mixture-of-Experts with Theoretical Generalization Guarantees

Sparse Mixture-of-Experts (MoE) allows scaling of language and vision models efficiently by activating only a small subset of experts per input. While this reduces computation, the large number of parameters still incurs substantial memory overhead during inference. Post-training quantization has been explored to address this issue. Because uniform quantization suffers from significant accuracy loss at low bit-widths, mixed-precision methods have been recently explored; however, they often require substantial computation for bit-width allocation and overlook the varying sensitivity of model performance to the quantization of different experts. We propose a theoretically grounded expert-wise mixed precision strategy that assigns bit-width to each expert primarily based on their change in routers l2 norm during training. Experts with smaller changes are shown to capture less frequent but critical features, and model performance is more sensitive to the quantization of these experts, thus requiring higher precision. Furthermore, to avoid allocating experts to lower precision that inject high quantization noise, experts with large maximum intra-neuron variance are also allocated higher precision. Experiments on large-scale MoE models, including Switch Transformer and Mixtral, show that our method achieves higher accuracy than existing approaches, while also reducing inference cost and incurring only negligible overhead for bit-width assignment.
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All authors Mohammed Nowaz Rabbani Chowdhury, Kaoutar El Maghraoui, Hsinyu Tsai, Naigang Wang, Geoffrey W. Burr, Liu Liu, Meng Wang

Machine Learning

VLMShield: Efficient and Robust Defense of Vision-Language Models against Malicious Prompts

Vision-Language Models (VLMs) face significant safety vulnerabilities from malicious prompt attacks due to weakened alignment during visual integration. Existing defenses suffer from efficiency and robustness. To address these challenges, we first propose the Multimodal Aggregated Feature Extraction (MAFE) framework that enables CLIP to handle long text and fuse multimodal information into unified representations. Through empirical analysis of MAFE-extracted features, we discover distinct distributional patterns between benign and malicious prompts. Building upon this finding, we develop VLMShield, a lightweight safety detector that efficiently identifies multimodal malicious attacks as a plug-and-play solution. Extensive experiments demonstrate superior performance across multiple dimensions, including robustness, efficiency, and utility. Through our work, we hope to pave the way for more secure multimodal AI deployment. Code is available at [this https URL](https://github.com/pgqihere/VLMShield).
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All authors Peigui Qi, Kunsheng Tang, Yanpu Yu, Jialin Wu, Yide Song, Wenbo Zhou, Zhicong Huang, Cheng Hong, Weiming Zhang, Nenghai Yu

Machine Learning

Transformer See, Transformer Do: Copying as an Intermediate Step in Learning Analogical Reasoning

Analogical reasoning is a hallmark of human intelligence, enabling us to solve new problems by transferring knowledge from one situation to another. Yet, developing artificial intelligence systems capable of robust human-like analogical reasoning has proven difficult. In this work, we train transformers using Meta-Learning for Compositionality (MLC) on an analogical reasoning task (letter-string analogies) and assess their generalization capabilities. We find that letter-string analogies become learnable when guiding the models to attend to the most informative problem elements, induced by including copy tasks in the training data. Furthermore, generalization to new alphabets improves when models are trained with more heterogeneous datasets. For the best training run, our 3-layer encoder-decoder model performs on par with frontier models on our letter-string analogy datasets. The MLC approach also enables some generalization to compositions of trained transformations, but not to completely novel transformations. To understand how the model solves the analogies, we identify an algorithm for one analogy task that approximates the model's computations. We verify this using interpretability analyses and show that head-level attention weights causally affect model output, allowing steering between different analogy tasks. We discuss the implications of our findings for generalization capabilities of larger models and the parallels to human analogical reasoning.
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All authors Philipp Hellwig, Willem Zuidema, Claire E. Stevenson, Martha Lewis

Machine Learning

Improving Robustness In Sparse Autoencoders via Masked Regularization

Sparse autoencoders (SAEs) are widely used in mechanistic interpretability to project LLM activations onto sparse latent spaces. However, sparsity alone is an imperfect proxy for interpretability, and current training objectives often result in brittle latent representations. SAEs are known to be prone to feature absorption, where general features are subsumed by more specific ones due to co-occurrence, degrading interpretability despite high reconstruction fidelity. Recent negative results on Out-of-Distribution (OOD) performance further underscore broader robustness related failures tied to under-specified training objectives. We address this by proposing a masking-based regularization that randomly replaces tokens during training to disrupt co-occurrence patterns. This improves robustness across SAE architectures and sparsity levels reducing absorption, enhancing probing performance, and narrowing the OOD gap. Our results point toward a practical path for more reliable interpretability tools.
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All authors Vivek Narayanaswamy, Kowshik Thopalli, Bhavya Kailkhura, Wesam Sakla

Machine Learning

Optimal Rates for Pure $\varepsilon$-Differentially Private Stochastic Convex Optimization with Heavy Tails

We study stochastic convex optimization (SCO) with heavy-tailed gradients under pure $\varepsilon$-differential privacy (DP). Instead of assuming a bound on the worst-case Lipschitz parameter of the loss, we assume only a bounded $k$-th moment. This assumption allows for unbounded, heavy-tailed stochastic gradient distributions, and can yield sharper excess risk bounds. Prior work characterized the minimax optimal rate for $\rho$-zero-concentrated DP SCO up to logarithmic factors in this setting, but the pure $\varepsilon$-DP case has remained open. We characterize the minimax optimal excess-risk rate for pure $\varepsilon$-DP heavy-tailed SCO up to logarithmic factors. Our algorithm achieves this rate in polynomial time with high probability. Moreover, it runs in deterministic polynomial time when the worst-case Lipschitz parameter is polynomially bounded. For important structured problem classes – including hinge/ReLU-type and absolute-value losses on Euclidean balls, ellipsoids, and polytopes – we achieve deterministic polynomial time even when the worst-case Lipschitz parameter is infinite. Our approach is based on a novel framework for privately optimizing Lipschitz extensions of the empirical loss. We complement our upper bound with a nearly matching high-probability lower bound.
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Machine Learning

Discrete Flow Matching Policy Optimization

We introduce Discrete flow Matching policy Optimization (DoMinO), a unified framework for Reinforcement Learning (RL) fine-tuning Discrete Flow Matching (DFM) models under a broad class of policy gradient methods. Our key idea is to view the DFM sampling procedure as a multi-step Markov Decision Process. This perspective provides a simple and transparent reformulation of fine-tuning reward maximization as a robust RL objective. Consequently, it not only preserves the original DFM samplers but also avoids biased auxiliary estimators and likelihood surrogates used by many prior RL fine-tuning methods. To prevent policy collapse, we also introduce new total-variation regularizers to keep the fine-tuned distribution close to the pretrained one. Theoretically, we establish an upper bound on the discretization error of DoMinO and tractable upper bounds for the regularizers. Experimentally, we evaluate DoMinO on regulatory DNA sequence design. DoMinO achieves stronger predicted enhancer activity and better sequence naturalness than the previous best reward-driven baselines. The regularization further improves alignment with the natural sequence distribution while preserving strong functional performance. These results establish DoMinO as an useful framework for controllable discrete sequence generation.
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All authors Maojiang Su, Po-Chung Hsieh, Weimin Wu, Mingcheng Lu, Jiunhau Chen, Jerry Yao-Chieh Hu, Han Liu

Machine Learning

Inference-Time Code Selection via Symbolic Equivalence Partitioning

Sampling multiple candidate programs at inference time is an effective way to improve LLM code generation. However, its benefit depends on reliably selecting a correct solution from the generated pool. We observe that this selection problem has a distinctive semantic structure: correct solutions, despite differences in syntax, implementation, or algorithmic strategy, often converge to the same functional behavior over valid inputs. At the same time, consensus alone is not sufficient for correctness, because models can also produce correlated wrong solutions that implement the same mistaken behavior. We propose Symbolic Equivalence Partitioning (SEP), an inference-time selection framework that first uses problem-provided public examples as lightweight validity signals. SEP then uses symbolic execution to partition the remaining candidate programs into bounded functional equivalence classes and selects from the dominant equivalence class. Across HumanEval+ and LiveCodeBench, SEP consistently improves selection accuracy without auxiliary test generation, learned verifiers, or additional LLM inference. At $N=10$, SEP improves average accuracy from 0.754 to 0.826 on HumanEval+ and from 0.565 to 0.647 on LiveCodeBench, showing that symbolic functional agreement is an effective signal for inference-time code selection.
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All authors David Cho, Yifan Wang, Fanping Sui, Ananth Grama

Machine Learning

Distributed Interpretability and Control for Large Language Models

Large language models that require multiple GPU cards to host are usually the most capable models. It is necessary to understand and steer these models, but the current technologies do not support the interpretability and steering of these models in the multi-GPU setting as well as the single-GPU setting. We present a practical implementation of activation-level interpretability (logit lens) and steering (steering vector) that scales up to multi-GPU language models. Our system implements design choices that reduce the activation memory by up to 7x and increase the throughput by up to 41x compared to a baseline on identical hardware. We demonstrate the method across LLaMA-3.1 (8B, 70B) and Qwen-3 (4B, 14B, 32B), sustaining 20-100 tokens/s while collecting full layer-wise activation trajectories for sequences of 1,500 tokens. Using label-position steering vectors injected post-LayerNorm, we show controllable, monotonic shifts in model outputs with a mean steerability slope of 0.702 across evaluated datasets, without fine-tuning or additional forward passes. We release detailed benchmarks, ablations, and a reproducible instrumentation recipe to enable practical interpretability and real-time behavioral control for frontier LLMs at https://github.com/Devdesai1901/LogitLense.
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Machine Learning · Cross-listed from physics.med-ph

Spatiotemporal Gaussian representation-based dynamic reconstruction and motion estimation framework for time-resolved volumetric MR imaging (DREME-GSMR)

Time-resolved volumetric MR imaging that reconstructs a 3D MRI within sub-seconds to resolve deformable motion is essential for motion-adaptive radiotherapy. Representing patient anatomy and associated motion fields as 3D Gaussians, we developed a spatiotemporal Gaussian representation-based framework (DREME-GSMR), which enables time-resolved dynamic MRI reconstruction from a pre-treatment 3D MR scan without any prior anatomical/motion model. DREME-GSMR represents a reference MRI volume and a corresponding low-rank motion model (as motion-basis components) using 3D Gaussians, and incorporates a dual-path MLP/CNN motion encoder to estimate temporal motion coefficients of the motion model from raw k-space-derived signals. Furthermore, using the solved motion model, DREME-GSMR can infer motion coefficients directly from new online k-space data, allowing subsequent intra-treatment volumetric MR imaging and motion tracking (real-time imaging). A motion-augmentation strategy is further introduced to improve robustness to unseen motion patterns during real-time imaging. DREME-GSMR was evaluated on the XCAT digital phantom, a physical motion phantom, and MR-LINAC datasets acquired from 6 healthy volunteers and 20 patients (with independent sequential scans for cross-evaluation). DREME-GSMR reconstructs MRIs of a ~400ms temporal resolution, with an inference time of ~10ms/volume. In XCAT experiments, DREME-GSMR achieved mean(s.d.) SSIM, tumor center-of-mass-error(COME), and DSC of 0.92(0.01)/0.91(0.02), 0.50(0.15)/0.65(0.19) mm, and 0.92(0.02)/0.92(0.03) for dynamic reconstruction/real-time imaging. For the physical phantom, the mean target COME was 1.19(0.94)/1.40(1.15) mm for dynamic/real-time imaging, while for volunteers and patients, the mean liver COME for real-time imaging was 1.31(0.82) and 0.96(0.64) mm, respectively.
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All authors Jiacheng Xie, Hua-Chieh Shao, Can Wu, Ricardo Otazo, Jie Deng, Mu-Han Lin, Tsuicheng Chiu, Jacob Buatti, Viktor Iakovenko, You Zhang

Machine Learning

AE-ViT: Stable Long-Horizon Parametric Partial Differential Equations Modeling

Deep Learning Reduced Order Models (ROMs) are becoming increasingly popular as surrogate models for parametric partial differential equations (PDEs) due to their ability to handle high-dimensional data, approximate highly nonlinear mappings, and utilize GPUs. Existing approaches typically learn evolution either on the full solution field, which requires capturing long-range spatial interactions at high computational cost, or on compressed latent representations obtained from autoencoders, which reduces the cost but often yields latent vectors that are difficult to evolve, since they primarily encode spatial information. Moreover, in parametric PDEs, the initial condition alone is not sufficient to determine the trajectory, and most current approaches are not evaluated on jointly predicting multiple solution components with differing magnitudes and parameter sensitivities. To address these challenges, we propose a joint model consisting of a convolutional encoder, a transformer operating on latent representations, and a decoder for reconstruction. The main novelties are joint training with multi-stage parameter injection and coordinate channel injection. Parameters are injected at multiple stages to improve conditioning. Physical coordinates are encoded to provide spatial information. This allows the model to dynamically adapt its computations to the specific PDE parameters governing each system, rather than learning a single fixed response. Experiments on the Advection-Diffusion-Reaction equation and Navier-Stokes flow around the cylinder wake demonstrate that our approach combines the efficiency of latent evolution with the fidelity of full-field models, outperforming DL-ROMs, latent transformers, and plain ViTs in multi-field prediction, reducing the relative rollout error by approximately $5$ times.
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