Authors: Lin Lawrence Guo, Santiago Eduardo Arciniegas, Joseph Jihyung Lee, Adam Paul Yan, George Tomlinson, Jason Fries, Lillian Sung
Abstract: Foundation models for structured electronic health records (EHRs) are pretrained on longitudinal sequences of timestamped clinical events to learn adaptable patient representations. Tokenization -- how these timelines are converted into discrete model inputs -- determines what information is preserved, how efficiently it is encoded, and which relationships must be learned versus precomputed. Yet the impact of tokenization design choices on downstream performance and computational efficiency remains largely unexplored. Here, we pretrained a transformer on pediatric EHR data under a factorial design, varying tokenization along event encoding, time encoding, and workflow annotation. We evaluated area-under-the-receiver-operating-characteristic curve across 74 clinical prediction tasks. Joint event encoding and positional time encoding outperformed their alternatives (73/74 and 71/74 tasks) while requiring 39.5% and 9.6% fewer pretraining floating-point operations, respectively. Targeted ablations traced the joint encoding advantage to local binding efficiency, that is, code-attribute pairs are combined into single tokens, rather than split across tokens that the model must learn to associate during pretraining. External evaluation on an adult intensive care unit cohort demonstrated that this advantage generalizes despite substantial vocabulary mismatch, while temporal and workflow effects remain institution-specific. These results establish tokenization as a tractable lever for improving both the performance and efficiency of EHR foundation models.
Authors: Xiang Ao
Abstract: Time series forecasters are widely used across various domains. Among them, MLP (multi-layer perceptron)-based forecasters have been proven to be more robust to noise compared to Transformer-based forecasters. However, MLP struggles to capture complex features, resulting in limitations on capturing long-range dependencies. To address this challenge, we propose XLinear, an MLP-based forecaster for long-range forecasting. Firstly, we decompose the time series into trend and seasonal components. For the trend component which contains long-range characteristics, we design Enhanced Frequency Attention (EFA) to capture long-term dependencies by leveraging frequency-domain operations. Additionally, a CrossFilter Block is proposed for the seasonal component to maintain the model's robustness to noise, avoiding the problems of low robustness often caused by attention mechanisms. Experimental results demonstrate that XLinear achieves state-of-the-art performance on test datasets. While keeping the lightweight architecture and high robustness of MLP-based models, our forecaster outperforms other MLP-based forecasters in capturing long-range dependencies.
Authors: Guangchen Lan
Abstract: Reinforcement Learning with Rubric Rewards (RLRR) is a framework that extends conventional reinforcement learning from human feedback (RLHF) and verifiable rewards (RLVR) by replacing scalar preference signals with structured, multi-dimensional, contextual rubric-based evaluations. However, existing approaches in RLRR are limited to linearly compressing vector rewards into a scalar reward with a fixed weightings, which is sensitive to artificial score design and fails to capture correlations among reward dimensions. To overcome the limitations of reward aggregation, this work proposes Alternating Reinforcement Learning with Rubric Rewards (ARL-RR), a framework that eliminates the need for a fixed scalarization by optimizing one semantic rubric meta-class at a time. Theoretically, we show that reward aggregation induces a variance contraction effect, which helps explain the performance gains. We further introduce a lightweight, search-based adaptation procedure that selects the next meta-class dynamically based on task performance, enabling the policy to emphasize critical objectives and thereby improve the model performance. Empirically, our experiments on the HealthBench dataset with experts annotations demonstrate that ARL-RR uniformly outperforms scalarized methods in both model performance and training efficiency across different model scales (1.7B, 4B, 8B, and 14B).
Authors: Zeyu Zhang, Xiangxiang Dai, Ziyi Han, Xutong Liu, John C. S. Lui
Abstract: Large language models (LLMs) are typically governed by post-training alignment (e.g., RLHF or DPO), which yields a largely static policy during deployment and inference. However, real-world safety is a full-lifecycle problem: static defenses degrade against evolving jailbreak behaviors, and fixed weights cannot adapt to pluralistic, time-varying safety norms. This motivates inference-time governance that steers behavior without costly retraining. To address this, we introduce the Consensus Clustering LinUCB Bandit (CCLUB), a unified framework for adaptive social alignment via system-prompt routing. CCLUB employs a conservative consensus clustering mechanism: it pools data only within the intersection of utility and safety similarity graphs, effectively preventing unsafe generalization across semantically proximal but risk-divergent contexts. Our theoretical analysis yields a sublinear regret guarantee, demonstrating near-optimal performance of CCLUB. Extensive experiments validate that CCLUB outperforms strong baselines, achieving a 10.98% improvement in cumulative reward and a 14.42% reduction in the average suboptimality gap.
Authors: Ningkang Peng, Qianfeng Yu, Xiaoqian Peng, Linjing Qian, Yafei Liu, Canran Xiao, Xinyu Lu, Tingyu Lu, Zhichao Zheng, Yanhui Gu
Abstract: Out-of-Distribution (OOD) detection is crucial for the secure deployment of machine learning models, and prototype-based learning methods are among the mainstream strategies for achieving OOD detection. Existing prototype-based learning methods generally rely on a fixed number of prototypes. This static assumption fails to adapt to the inherent complexity differences across various categories. Currently, there is still a lack of a mechanism that can adaptively adjust the number of prototypes based on data complexity. Inspired by the processes of cell birth and death in biology, we propose a novel method named PID (Prototype bIrth and Death) to adaptively adjust the prototype count based on data complexity. This method relies on two dynamic mechanisms during the training process: prototype birth and prototype death. The birth mechanism instantiates new prototypes in data regions with insufficient representation by identifying the overload level of existing prototypes, thereby meticulously capturing intra-class substructures. Conversely, the death mechanism reinforces the decision boundary by pruning prototypes with ambiguous class boundaries through evaluating their discriminability. Through birth and death, the number of prototypes can be dynamically adjusted according to the data complexity, leading to the learning of more compact and better-separated In-Distribution (ID) embeddings, which significantly enhances the capability to detect OOD samples. Experiments demonstrate that our dynamic method, PID, significantly outperforms existing methods on benchmarks such as CIFAR-100, achieving State-of-the-Art (SOTA) performance, especially on the FPR95 metric.
Authors: Yue Chang, Guangsen Lin, Jyun Jie Chuang, Shunqi Liu, Xinkui Li, Yaozheng Li
Abstract: The early prediction of sepsis in intensive care unit (ICU) patients is crucial for improving survival rates. However, the development of accurate predictive models is hampered by data fragmentation across healthcare institutions and the complex, temporal nature of medical data, all under stringent privacy constraints. To address these challenges, we propose a novel framework that uniquely integrates federated learning (FL) with a medical knowledge graph and a temporal transformer model, enhanced by meta-learning capabilities. Our approach enables collaborative model training across multiple hospitals without sharing raw patient data, thereby preserving privacy. The model leverages a knowledge graph to incorporate structured medical relationships and employs a temporal transformer to capture long-range dependencies in clinical time-series data. A model-agnostic meta-learning (MAML) strategy is further incorporated to facilitate rapid adaptation of the global model to local data distributions. Evaluated on the MIMIC-IV and eICU datasets, our method achieves an area under the curve (AUC) of 0.956, which represents a 22.4% improvement over conventional centralized models and a 12.7% improvement over standard federated learning, demonstrating strong predictive capability for sepsis. This work presents a reliable and privacy-preserving solution for multi-center collaborative early warning of sepsis.
Authors: Ruixi Lin
Abstract: In classification tasks, the long-tailed minority classes usually offer the predictions that are most important. Yet these classes consistently exhibit low accuracies, whereas a few high-performing classes dominate the game. We pursue a foundational understanding of the hidden role of Gini Index as a tool for detecting and optimizing (debiasing) disparities in class accuracy, focusing on the case of prompt-based classification. We introduce the intuitions, benchmark Gini scores in real-world LLMs and vision models, and thoroughly discuss the insights of Gini not only as a measure of relative accuracy dominance but also as a direct optimization metric. Through rigorous case analyses, we first show that weak to strong relative accuracy imbalance exists in both prompt-based, text and image classification results and regardless of whether the classification is high-dimensional or low-dimensional. Then, we harness the Gini metric to propose a post-hoc model-agnostic bias mitigation method. Experimental results across few-shot news, biomedical, and zero-shot image classification show that our method significantly reduces both relative and absolute accuracy imbalances, minimizing top class relative dominance while elevating weakest classes.
Authors: Liu Hung Ming
Abstract: In decentralized Multi-Agent Reinforcement Learning (MARL), steganographic collusion -- where agents develop private protocols to evade monitoring -- presents a critical AI safety threat. Existing defenses, limited to behavioral or reward layers, fail to detect coordination in latent communication channels. We introduce the Dynamic Representational Circuit Breaker (DRCB), an architectural defense operating at the optimization substrate. Building on the AI Mother Tongue (AIM) framework, DRCB utilizes a Vector Quantized Variational Autoencoder (VQ-VAE) bottleneck to convert unobservable messages into auditable statistical objects. DRCB monitors signals including Jensen-Shannon Divergence drift, L2-norm codebook displacement, and Randomized Observer Pool accuracy to compute an EMA-based Collusion Score. Threshold breaches trigger four escalating interventions: dynamic adaptation, gradient-space penalty injection into the Advantage function A^pi, temporal reward suppression, and full substrate circuit breaking via codebook shuffling and optimizer state reset. Experiments on a Contextual Prisoner's Dilemma with MNIST labels show that while static monitoring fails (p = 0.3517), DRCB improves observer mean accuracy from 0.858 to 0.938 (+9.3 percent) and reduces volatility by 43 percent, while preserving mean joint reward (p = 0.854). Analysis of 214,298 symbol samples confirms "Semantic Degradation," where high-frequency sequences converge to zero entropy, foreclosing complex steganographic encodings. We identify a "Transparency Paradox" where agents achieve surface-level determinism while preserving residual capacity in long-tail distributions, reflecting Goodhart's Law. This task-agnostic methodology provides a technical path toward MICA-compliant (Multi-Agent Internal Coupling Audit) pre-deployment auditing for autonomous systems.
Authors: Peiyu Yang, Naveed Akhtar, Jiantong Jiang, Ajmal Mian
Abstract: The performance of neural network models deteriorates due to their unreliable behavior on non-robust features of corrupted samples. Owing to their opaque nature, rectifying models to address this problem often necessitates arduous data cleaning and model retraining, resulting in huge computational and manual overhead. In this work, we leverage rank-one model editing to establish an attribution-guided model rectification framework that effectively locates and corrects model unreliable behaviors. We first distinguish our rectification setting from existing model editing, yielding a formulation that corrects unreliable behavior while preserving model performance and reducing reliance on large budgets of cleansed samples. We further reveal a bottleneck of model rectifying arising from heterogeneous editability across layers. To target the primary source of misbehavior, we introduce an attribution-guided layer localization method that quantifies layer-wise editability and identifies the layer most responsible for unreliabilities. Extensive experiments demonstrate the effectiveness of our method in correcting unreliabilities observed for neural Trojans, spurious correlations and feature leakage. Our method shows remarkable performance by achieving its editing objective with as few as a single cleansed sample, which makes it appealing for practice.
Authors: Yongzhong Xu
Abstract: Despite hundreds of millions of parameters, transformer training trajectories evolve within only a few coherent directions. We introduce \emph{Spectral Edge Dynamics} (SED) to measure this structure: rolling-window SVD of parameter updates reveals a sharp boundary -- the \emph{spectral edge} -- between coherent optimization directions and stochastic noise, identified by the maximum consecutive singular value ratio $\sigma_k/\sigma_{k+1}$. Across a 51M-parameter TinyStories model (4~seeds) and GPT-2 124M under a distribution shift, the spectral edge exhibits a universal three-phase pattern (rise, plateau, collapse), signal rank adjusts with task complexity ($k^* = 2$ at 51M, $k^* = 3$ at 124M), and the directional coupling between spectral geometry and validation loss reverses with window size -- a \emph{lag flip} reflecting the timescale of trajectory integration. Johnson--Lindenstrauss projection to $d = 10W$ dimensions (e.g., $d = 100$ for $W = 10$) preserves the spectral gap within 5.7\%, making the framework applicable to models of arbitrary size. In companion work, the same spectral geometry provides early-warning signals of grokking -- predicting generalization 600--1{,}700 steps before it occurs across modular arithmetic, Dyck languages, and the SCAN benchmark.
Authors: Paras Sharma, Swastika Sharma
Abstract: Flash floods are the most destructive natural hazard in Himachal Pradesh (HP), India, causing over 400 fatalities and $1.2 billion in losses in the 2023 monsoon season alone. Existing risk maps treat every pixel independently, ignoring the basic fact that flooding upstream raises risk downstream. We address this with a Graph Neural Network (GraphSAGE) trained on a watershed connectivity graph (460 sub-watersheds, 1,700 directed edges), built from a six-year Sentinel-1 SAR flood inventory (2018-2023, 3,000 events) and 12 environmental variables at 30 m resolution. Four pixel-based ML models (RF, XGBoost, LightGBM, stacking ensemble) serve as baselines. All models are evaluated with leave-one-basin-out spatial cross-validation to avoid the 5-15% AUC inflation of random splits. Conformal prediction produces the first HP susceptibility maps with statistically guaranteed 90% coverage intervals. The GNN achieved AUC = 0.978 +/- 0.017, outperforming the best baseline (AUC = 0.881) and the published HP benchmark (AUC = 0.88). The +0.097 gain confirms that river connectivity carries predictive signal that pixel-based models miss. High-susceptibility zones overlap 1,457 km of highways (including 217 km of the Manali-Leh corridor), 2,759 bridges, and 4 major hydroelectric installations. Conformal intervals achieved 82.9% empirical coverage on the held-out 2023 test set; lower coverage in high-risk zones (45-59%) points to SAR label noise as a target for future work.
Authors: Yubo Hou, Mohamed Ragab, Yucheng Wang, Min Wu, Abdulla Alseiari, Chee-Keong Kwoh, Xiaoli Li, Zhenghua Chen
Abstract: Accurate Remaining Useful Life (RUL) prediction without labeled target domain data is a critical challenge, and domain adaptation (DA) has been widely adopted to address it by transferring knowledge from a labeled source domain to an unlabeled target domain. Despite its success, existing DA methods struggle significantly when faced with incomplete degradation trajectories in the target domain, particularly due to the absence of late degradation stages. This missing data introduces a key extrapolation challenge. When applied to such incomplete RUL prediction tasks, current DA methods encounter two primary limitations. First, most DA approaches primarily focus on global alignment, which can misaligns late degradation stage in the source domain with early degradation stage in the target domain. Second, due to varying operating conditions in RUL prediction, degradation patterns may differ even within the same degradation stage, resulting in different learned features. As a result, even if degradation stages are partially aligned, simple feature matching cannot fully align two domains. To overcome these limitations, we propose a novel evidential adaptation approach called EviAdapt, which leverages evidential learning to enhance domain adaptation. The method first segments the source and target domain data into distinct degradation stages based on degradation rate, enabling stage-wise alignment that ensures samples from corresponding stages are accurately matched. To address the second limitation, we introduce an evidential uncertainty alignment technique that estimates uncertainty using evidential learning and aligns the uncertainty across matched stages.
Authors: Chenrui Ma
Abstract: Mainstream flow matching methods typically focus on learning the local velocity field, which inherently requires multiple integration steps during generation. In contrast, Mean Velocity Flow models establish a relationship between the local velocity field and the global mean velocity, enabling the latter to be learned through a mathematically grounded formulation and allowing generation to be transferred to arbitrary future time points. In this work, we propose a new paradigm that directly learns the transition flow. As a global quantity, the transition flow naturally supports generation in a single step or at arbitrary time points. Furthermore, we demonstrate the connection between our approach and Mean Velocity Flow, establishing a unified theoretical perspective. Extensive experiments validate the effectiveness of our method and support our theoretical claims.
Authors: Mengyao Zhou, Zhiheng Zhou, Xiao Han, Xingqin Qi, Guanghui Wang, Guiying Yan
Abstract: Hypergraph neural networks (HGNNs) have demonstrated strong capabilities in modeling complex higher-order relationships. However, existing HGNNs often suffer from over-smoothing as the number of layers increases and lack effective control over message passing among nodes. Inspired by the theory of Ricci flow in differential geometry, we theoretically establish that introducing discrete Ricci flow into hypergraph structures can effectively regulate node feature evolution and thereby alleviate over-smoothing. Building on this insight, we propose Ricci Flow-guided Hypergraph Neural Diffusion(RFHND), a novel message passing paradigm for hypergraphs guided by discrete Ricci flow. Specifically, RFHND is based on a PDE system that describes the continuous evolution of node features on hypergraphs and adaptively regulates the rate of information diffusion at the geometric level, preventing feature homogenization and producing high-quality node representations. Experimental results show that RFHND significantly outperforms existing methods across multiple benchmark datasets and demonstrates strong robustness, while also effectively mitigating over-smoothing.
Authors: Ye Wang, Zixuan Wu, Lifeng Shen, Jiang Xie, Xiaoling Wang, Hong Yu, Guoyin Wang
Abstract: Imbalanced data distribution remains a critical challenge in sequential learning, leading models to easily recognize frequent categories while failing to detect minority classes adequately. The Mixture-of-Experts model offers a scalable solution, yet its application is often hindered by parameter inefficiency, poor expert specialization, and difficulty in resolving prediction conflicts. To Master the Minority classes effectively, we propose the Uncertainty-based Multi-Expert fusion network (UME) framework. UME is designed with three core innovations: First, we employ Ensemble LoRA for parameter-efficient modeling, significantly reducing the trainable parameter count. Second, we introduce Sequential Specialization guided by Dempster-Shafer Theory (DST), which ensures effective specialization on the challenging-tailed classes. Finally, an Uncertainty-Guided Fusion mechanism uses DST's certainty measures to dynamically weigh expert opinions, resolving conflicts by prioritizing the most confident expert for reliable final predictions. Extensive experiments across four public hierarchical text classification datasets demonstrate that UME achieves state-of-the-art performance. We achieve a performance gain of up to 17.97\% over the best baseline on individual categories, while reducing trainable parameters by up to 10.32\%. The findings highlight that uncertainty-guided expert coordination is a principled strategy for addressing challenging-tailed sequence learning. Our code is available at https://github.com/CQUPTWZX/Multi-experts.
Authors: Artem Sakhno, Ivan Sergeev, Alexey Shestov, Omar Zoloev, Elizaveta Kovtun, Gleb Gusev, Andrey Savchenko, Maksim Makarenko
Abstract: Industrial financial systems operate on temporal event sequences such as transactions, user actions, and system logs. While recent research emphasizes representation learning and large language models, production systems continue to rely heavily on handcrafted statistical features due to their interpretability, robustness under limited supervision, and strict latency constraints. This creates a persistent disconnect between learned embeddings and feature-based pipelines. We introduce Embedding-Aware Feature Discovery (EAFD), a unified framework that bridges this gap by coupling pretrained event-sequence embeddings with a self-reflective LLM-driven feature generation agent. EAFD iteratively discovers, evaluates, and refines features directly from raw event sequences using two complementary criteria: \emph{alignment}, which explains information already encoded in embeddings, and \emph{complementarity}, which identifies predictive signals missing from them. Across both open-source and industrial transaction benchmarks, EAFD consistently outperforms embedding-only and feature-based baselines, achieving relative gains of up to $+5.8\%$ over state-of-the-art pretrained embeddings, resulting in new state-of-the-art performance across event-sequence datasets.
Authors: Lit Sin Tan, Junzhe Chen, Xiaolong Fu, Lichen Ma, Junshi Huang, Jianzhong Shi, Yan Li, Lijie Wen
Abstract: Existing test-time scaling (TTS) methods for unified multimodal models (UMMs) in text-to-image (T2I) generation primarily rely on search or sampling strategies that produce only instance-level improvements, limiting the ability to learn from prior inferences and accumulate knowledge across similar prompts. To overcome these limitations, we propose Meta-TTRL, a metacognitive test-time reinforcement learning framework. Meta-TTRL performs test-time parameter optimization guided by model-intrinsic monitoring signals derived from the meta-knowledge of UMMs, achieving self-improvement and capability-level improvement at test time. Extensive experiments demonstrate that Meta-TTRL generalizes well across three representative UMMs, including Janus-Pro-7B, BAGEL, and Qwen-Image, achieving significant gains on compositional reasoning tasks and multiple T2I benchmarks with limited data. We provide the first comprehensive analysis to investigate the potential of test-time reinforcement learning (TTRL) for T2I generation in UMMs. Our analysis further reveals a key insight underlying effective TTRL: metacognitive synergy, where monitoring signals align with the model's optimization regime to enable self-improvement.
Authors: Hao Wu, Yongheng Zhang, Yuan Gao, Fan Xu, Fan Zhang, Ruobing Xie, Ruijian Gou, Yuxuan Liang, Xiaomeng Huang, Xian Wu
Abstract: Large Language Models (LLMs) have demonstrated exceptional logical reasoning capabilities but frequently struggle with the continuous spatiotemporal dynamics governed by Partial Differential Equations (PDEs), often resulting in non-physical hallucinations. Existing approaches typically resort to costly, domain-specific fine-tuning, which severely limits cross-domain generalization and interpretability. To bridge this gap, we propose OMNIFLOW, a neuro-symbolic architecture designed to ground frozen multimodal LLMs in fundamental physical laws without requiring domain-specific parameter updates. OMNIFLOW introduces a novel \textit{Semantic-Symbolic Alignment} mechanism that projects high-dimensional flow tensors into topological linguistic descriptors, enabling the model to perceive physical structures rather than raw pixel values. Furthermore, we construct a Physics-Guided Chain-of-Thought (PG-CoT) workflow that orchestrates reasoning through dynamic constraint injection (e.g., mass conservation) and iterative reflexive verification. We evaluate OMNIFLOW on a comprehensive benchmark spanning microscopic turbulence, theoretical Navier-Stokes equations, and macroscopic global weather forecasting. Empirical results demonstrate that OMNIFLOW significantly outperforms traditional deep learning baselines in zero-shot generalization and few-shot adaptation tasks. Crucially, it offers transparent, physically consistent reasoning reports, marking a paradigm shift from black-box fitting to interpretable scientific reasoning.
Authors: Andres Potapczynski, Ravi Kiran Selvam, Tatiana Konstantinova, Shankar Ramasubramanian, Malcolm Wolff, Kin G. Olivares, Ruijun Ma, Mengfei Cao, Michael W. Mahoney, Andrew Gordon Wilson, Boris N. Oreshkin, Dmitry Efimov
Abstract: In many time series forecasting settings, the target time series is accompanied by exogenous covariates, such as promotions and prices in retail demand; temperature in energy load; calendar and holiday indicators for traffic or sales; and grid load or fuel costs in electricity pricing. Ignoring these exogenous signals can substantially degrade forecasting accuracy, particularly when they drive spikes, discontinuities, or regime and phase changes in the target series. Most current time series foundation models (e.g., Chronos, Sundial, TimesFM, TimeMoE, TimeLLM, and LagLlama) ignore exogenous covariates and make forecasts solely from the numerical time series history, thereby limiting their performance. In this paper, we develop ApolloPFN, a prior-data fitted network (PFN) that is time-aware (unlike prior PFNs) and that natively incorporates exogenous covariates (unlike prior univariate forecasters). Our design introduces two major advances: (i) a synthetic data generation procedure tailored to resolve the failure modes that arise when tabular (non-temporal) PFNs are applied to time series; and (ii) time-aware architectural modifications that embed inductive biases needed to exploit the time series context. We demonstrate that ApolloPFN achieves state-of-the-art results across benchmarks, such as M5 and electric price forecasting, that contain exogenous information.
Authors: Linrui Ma, Yufei Cui, Kai Han, Yunhe Wang
Abstract: Discrete diffusion models offer global context awareness and flexible parallel generation. However, uniform random noise schedulers in standard DLLM training overlook the highly non-uniform information density inherent in real-world sequences. This wastes optimization resources on low-density structural glues while leaving high-density logical pivot points severely under-optimized. To address this, we propose an Information Density Driven Smart Noise Scheduler. By extracting information-dense hubs and applying Complementary Priority Masking, our method decouples a single training instance into mutually reinforcing reasoning and syntax samples, forcing the model to master both logical deduction and foundational sequence structure. Experiments demonstrate that our approach improves average accuracy by ~4\% across four Code and Math reasoning benchmarks, significantly outperforming uniform baselines. Mechanistic analyses further reveal that probabilistic priority masking effectively mitigates contextual collapse during block diffusion training. Overall, this density-aware strategy efficiently unlocks the reasoning potential of diffusion language models at minimal annotation cost, emerging as a promising new masked data training paradigm for Diffusion LLMs. Our processed dataset can be found at https://huggingface.co/datasets/malr07/opc-sft-stage2-dense-extracted.
URLs: https://huggingface.co/datasets/malr07/opc-sft-stage2-dense-extracted.
Authors: Banafsheh Karimian, Alexis Guichemerre, Soufiane Belharbi, Natacha Gillet, Luke McCaffrey, Mohammadhadi Shateri, Eric Granger
Abstract: Breast cancer remains a leading cause of cancer-related mortality worldwide. Longitudinal mammography risk prediction models improve multi-year breast cancer risk prediction based on prior screening exams. However, in real-world clinical practice, longitudinal histories are often incomplete, irregular, or unavailable due to missed screenings, first-time examinations, heterogeneous acquisition schedules, or archival constraints. The absence of prior exams degrades the performance of longitudinal risk models and limits their practical applicability. While substantial longitudinal history is available during training, prior exams are commonly absent at test time. In this paper, we address missing history at inference time and propose a longitudinal risk prediction method that uses mammography history as privileged information during training and distills its prognostic value into a student model that only requires the current exam at inference time. The key idea is a privileged multi-teacher distillation scheme with horizon-specific teachers: each teacher is trained on the full longitudinal history to specialize in one prediction horizon, while the student receives only a reconstructed history derived from the current exam. This allows the student to inherit horizon-dependent longitudinal risk cues without requiring prior screening exams at deployment. Our new Privileged History Distillation (PHD) method is validated on a large longitudinal mammography dataset with multi-year cancer outcomes, CSAW-CC, comparing full-history and no-history baselines to their distilled counterparts. Using time-dependent AUC across horizons, our privileged history distillation method markedly improves the performance of long-horizon prediction over no-history models and is comparable to that of full-history models, while using only the current exam at inference time.
Authors: Thackshanaramana B
Abstract: The assumption that prediction-equivalent models produce equivalent explanations underlies many practices in explainable AI, including model selection, auditing, and regulatory evaluation. In this work, we show that this assumption does not hold. Through a large-scale empirical study across 24 datasets and multiple model classes, we find that models with identical predictive behavior can produce substantially different feature attributions. This disagreement is highly structured: models within the same hypothesis class exhibit strong agreement, while cross-class pairs (e.g., tree-based vs. linear) trained on identical data splits show substantially reduced agreement, consistently near or below the lottery threshold. We identify hypothesis class as the structural driver of this phenomenon, which we term the Explanation Lottery. We theoretically show that the resulting Agreement Gap persists under interaction structure in the data-generating process. This structural finding motivates a post-hoc diagnostic, the Explanation Reliability Score R(x), which predicts when explanations are stable across architectures without additional training. Our results demonstrate that model selection is not explanation-neutral: the hypothesis class chosen for deployment can determine which features are attributed responsibility for a decision.
Authors: Nazia Riasat
Abstract: Large language models (LLMs) are increasingly used as decision-support tools in data-constrained scientific workflows, where correctness and validity are critical. However, evaluation practices often emphasize stability or reproducibility across repeated runs. While these properties are desirable, stability alone does not guar- antee agreement with statistical ground truth when such references are available. We introduce a controlled behavioral evaluation framework that explicitly sep- arates four dimensions of LLM decision-making: stability, correctness, prompt sensitivity, and output validity under fixed statistical inputs. We evaluate multi- ple LLMs using a statistical gene prioritization task derived from differential ex- pression analysis across prompt regimes involving strict and relaxed significance thresholds, borderline ranking scenarios, and minor wording variations. Our ex- periments show that LLMs can exhibit near-perfect run-to-run stability while sys- tematically diverging from statistical ground truth, over-selecting under relaxed thresholds, responding sharply to minor prompt wording changes, or producing syntactically plausible gene identifiers absent from the input table. Although sta- bility reflects robustness across repeated runs, it does not guarantee agreement with statistical ground truth in structured scientific decision tasks. These findings highlight the importance of explicit ground-truth validation and output validity checks when deploying LLMs in automated or semi-automated scientific work- flows.
Authors: Jeremy J Samuelson
Abstract: Modern machine learning systems increasingly rely on sensitive data, creating significant privacy, security, and regulatory risks that existing privacy-preserving machine learning (ppML) techniques, such as Differential Privacy (DP) and Homomorphic Encryption (HE), address only at the cost of degraded performance, increased complexity, or prohibitive computational overhead. This paper introduces Informationally Compressive Anonymization (ICA) and the VEIL architecture, a privacy-preserving ML framework that achieves strong privacy guarantees through architectural and mathematical design rather than noise injection or cryptography. ICA embeds a supervised, multi-objective encoder within a trusted Source Environment to transform raw inputs into low-dimensional, task-aligned latent representations, ensuring that only irreversibly anonymized vectors are exported to untrusted Training and Inference Environments. The paper rigorously proves that these encodings are structurally non-invertible using topological and information-theoretic arguments, showing that inversion is logically impossible, even under idealized attacker assumptions, and that, in realistic deployments, the attackers conditional entropy over the original data diverges, driving reconstruction probability to zero. Unlike prior autoencoder-based ppML approaches, ICA preserves predictive utility by aligning representation learning with downstream supervised objectives, enabling low-latency, high-performance ML without gradient clipping, noise budgets, or encryption at inference time. The VEIL architecture enforces strict trust boundaries, supports scalable multi-region deployment, and naturally aligns with privacy-by-design regulatory frameworks, establishing a new foundation for enterprise ML that is secure, performant, and safe by construction, even in the face of post-quantum threats.
Authors: Tomas Ruiz, Zhen Qin, Yifan Zhang, Xuyang Shen, Yiran Zhong, Mengdi Wang
Abstract: Sampling from a categorical distribution is mathematically simple, but in large-vocabulary decoding, it often triggers extra memory traffic and extra kernels after the LM head. We present FlashSampling, an exact sampling primitive that fuses sampling into the LM-head matmul and never materializes the logits tensor in HBM. The method is simple: compute logits tile-by-tile on chip, add Gumbel noise, keep only one maximizer per row and per vocabulary tile, and finish with a small reduction over tiles. The fused tiled kernel is exact because $\argmax$ decomposes over a partition; grouped variants for online and tensor-parallel settings are exact by hierarchical factorization of the categorical distribution. Across H100, H200, B200, and B300 GPUs, FlashSampling speeds up kernel-level decode workloads, and in end-to-end vLLM experiments, it reduces time per output token by up to $19%$ on the models we test. These results show that exact sampling, with no approximation, can be integrated into the matmul itself, turning a bandwidth-bound postprocessing step into a lightweight epilogue. Project Page: https://github.com/FlashSampling/FlashSampling.
Authors: Adriana Laurindo Monteiro, Jean-Michel Loubes
Abstract: The massive use of Machine Learning (ML) tools in industry comes with critical challenges, such as the lack of explainable models and the use of black-box algorithms. We address this issue by applying Optimal Transport theory in the analysis of responses of ML models to variations in the distribution of input variables. We find the closest distribution, in the Wasserstein sense, that satisfies a given constraintt and examine its impact on model behavior. Furthermore, we establish convergence results for this projected distribution and demonstrate our approach using examples and real-world datasets in both regression and classification settings.
Authors: Ezgi Korkmaz
Abstract: Following the pivotal success of learning strategies to win at tasks, solely by interacting with an environment without any supervision, agents have gained the ability to make sequential decisions in complex MDPs. Yet, reinforcement learning policies face exponentially growing state spaces in high dimensional MDPs resulting in a dichotomy between computational complexity and policy success. In our paper we focus on the agent's interaction with the environment in a high-dimensional MDP during the learning phase and we introduce a theoretically-founded novel paradigm based on experiences obtained through counteractive actions. Our analysis and method provide a theoretical basis for efficient, effective, scalable and accelerated learning, and further comes with zero additional computational complexity while leading to significant acceleration in training. We conduct extensive experiments in the Arcade Learning Environment with high-dimensional state representation MDPs. The experimental results further verify our theoretical analysis, and our method achieves significant performance increase with substantial sample-efficiency in high-dimensional environments.
Authors: Rena Mira Krishna, Ramya Sankar, Shadi Ghiasi
Abstract: Electrodermal Activity (EDA) is a non-invasive physiological signal widely available in wearable devices and reflects sympathetic nervous system (SNS) activation. Prior multi-modal studies have demonstrated robust performance in distinguishing stress and exercise states when EDA is combined with complementary signals such as heart rate and accelerometry. However, the ability of EDA to independently distinguish sustained aerobic exercise from low-arousal states under subject-independent evaluation remains insufficiently characterized. This study investigates whether features derived exclusively from EDA can reliably differentiate rest from sustained aerobic exercise. Using a publicly available dataset collected from thirty healthy individuals, EDA features were evaluated using benchmark machine learning models with leave-one-subject-out (LOSO) validation. Across models, EDA-only classifiers achieved moderate subject-independent performance, with phasic temporal dynamics and event timing contributing to class separation. Rather than proposing EDA as a replacement for multimodal sensing, this work provides a conservative benchmark of the discriminative power of EDA alone and clarifies its role as a unimodal input for wearable activity-state inference.
Authors: Dibakar Sigdel, Namuna Panday
Abstract: We present PhasorFlow, an open-source Python library introducing a computational paradigm operating on the $S^1$ unit circle. Inputs are encoded as complex phasors $z = e^{i\theta}$ on the $N$-Torus ($\mathbb{T}^N$). As computation proceeds via unitary wave interference gates, global norm is preserved while individual components drift into $\mathbb{C}^N$, allowing algorithms to natively leverage continuous geometric gradients for predictive learning. PhasorFlow provides three core contributions. First, we formalize the Phasor Circuit model ($N$ unit circle threads, $M$ gates) and introduce a 22-gate library covering Standard Unitary, Non-Linear, Neuromorphic, and Encoding operations with full matrix algebra simulation. Second, we present the Variational Phasor Circuit (VPC), analogous to Variational Quantum Circuits (VQC), enabling optimization of continuous phase parameters for classical machine learning tasks. Third, we introduce the Phasor Transformer, replacing expensive $QK^TV$ attention with a parameter-free, DFT-based token mixing layer inspired by FNet. We validate PhasorFlow on non-linear spatial classification, time-series prediction, financial volatility detection, and neuromorphic tasks including neural binding and oscillatory associative memory. Our results establish unit circle computing as a deterministic, lightweight, and mathematically principled alternative to classical neural networks and quantum circuits. It operates on classical hardware while sharing quantum mechanics' unitary foundations. PhasorFlow is available at https://github.com/mindverse-computing/phasorflow.
Authors: Tin Hoang
Abstract: This dissertation investigates privacy-preserving federated learning for Alzheimer's disease classification using three-dimensional MRI data from the Alzheimer's Disease Neuroimaging Initiative (ADNI). Existing methodologies often suffer from unrealistic data partitioning, inadequate privacy guarantees, and insufficient benchmarking, limiting their practical deployment in healthcare. To address these gaps, this research proposes a novel site-aware data partitioning strategy that preserves institutional boundaries, reflecting real-world multi-institutional collaborations and data heterogeneity. Furthermore, an Adaptive Local Differential Privacy (ALDP) mechanism is introduced, dynamically adjusting privacy parameters based on training progression and parameter characteristics, thereby significantly improving the privacy-utility trade-off over traditional fixed-noise approaches. Systematic empirical evaluation across multiple client federations and privacy budgets demonstrated that advanced federated optimisation algorithms, particularly FedProx, could equal or surpass centralised training performance while ensuring rigorous privacy protection. Notably, ALDP achieved up to 80.4% accuracy in a two-client configuration, surpassing fixed-noise Local DP by 5-7 percentage points and demonstrating substantially greater training stability. The comprehensive ablation studies and benchmarking establish quantitative standards for privacy-preserving collaborative medical AI, providing practical guidelines for real-world deployment. This work thereby advances the state-of-the-art in federated learning for medical imaging, establishing both methodological foundations and empirical evidence necessary for future privacy-compliant AI adoption in healthcare.
Authors: Goutam Das, Michael Dorothy, Kyle Volle, Daigo Shishika
Abstract: Game theory provides the gold standard for analyzing adversarial engagements, offering strong optimality guarantees. However, these guarantees often become brittle when assumptions such as perfect information are violated. Reinforcement learning (RL), by contrast, is adaptive but can be sample-inefficient in large, complex domains. This paper introduces a hybrid approach that leverages game-theoretic insights to improve RL training efficiency. We study a border defense game with limited perceptual range, where defender performance depends on both search and pursuit strategies, making classical differential game solutions inapplicable. Our method employs the Apollonius Circle (AC) to compute equilibrium in the post-detection phase, enabling early termination of RL episodes without learning pursuit dynamics. This allows RL to concentrate on learning search strategies while guaranteeing optimal continuation after detection. Across single- and multi-defender settings, this early termination method yields 10-20% higher rewards, faster convergence, and more efficient search trajectories. Extensive experiments validate these findings and demonstrate the overall effectiveness of our approach.
Authors: Max Zimmer, Nico Pelleriti, Christophe Roux, Sebastian Pokutta
Abstract: AI tools and agents are reshaping how researchers work, from proving theorems to training neural networks. Yet for many, it remains unclear how these tools fit into everyday research practice. This paper is a practical guide to AI-assisted research in mathematics and machine learning: We discuss how researchers can use modern AI systems productively, where these systems help most, and what kinds of guardrails are needed to use them responsibly. It is organized into three parts: (I) a five-level taxonomy of AI integration, (II) an open-source framework that, through a set of methodological rules formulated as agent prompts, turns CLI coding agents (e.g., Claude Code, Codex CLI, OpenCode) into autonomous research assistants, and (III) case studies from deep learning and mathematics. The framework runs inside a sandboxed container, works with any frontier LLM through existing CLI agents, is simple enough to install and use within minutes, and scales from personal-laptop prototyping to multi-node, multi-GPU experimentation across compute clusters. In practice, our longest autonomous session ran for over 20 hours, dispatching independent experiments across multiple nodes without human intervention. We stress that our framework is not intended to replace the researcher in the loop, but to augment them. Our code is publicly available at https://github.com/ZIB-IOL/The-Agentic-Researcher.
Authors: Xiaoyi Li
Abstract: When LLM agents autonomously design ML experiments, do they perform genuine architecture search -- or do they default to hyperparameter tuning within a narrow region of the design space? We answer this question by analyzing 10,469 experiments executed by two LLM agents (Claude Opus and Gemini 2.5 Pro) across a combinatorial configuration space of 108,000 discrete cells for dashcam collision detection over 27 days. Through ANOVA decomposition, we find that \textbf{architectural choices explain 94\% of performance variance} ($F = 1324$, $\eta^2 = 0.94$), while hyperparameter variation within a fixed architecture explains only 6\%. Cross-task validation on a second collision dataset confirms this finding (75\% architecture-explained variance) with a \emph{different} winning backbone, confirming genuine architecture discovery. The agents' key contribution is discovering that V-JEPA\,2 video features with Zipformer temporal encoders achieve 0.9245 AP -- a configuration no human proposed -- and concentrating search on productive architectural regions: at $N = 50$, LLM-guided search reaches AP $= 0.985$ versus $0.965$ for from-scratch random search. Post-bugfix convergence follows a power law ($c = 0.11$, $R^2 = 0.93$); the low exponent reflects the cost of broad exploration, not inefficiency, since the LLM discovers qualitatively better regions than random or Bayesian baselines. We characterize multi-agent search dynamics via entropy cycles and Jensen--Shannon specialization, providing the first large-scale empirical framework for LLM-guided combinatorial ML experiment design.
Authors: Miguel de Campos, Werner Krebs, Hanno Gottschalk
Abstract: Inverse design aims to find design parameters $x$ achieving target performance $y^*$. Generative approaches learn bidirectional mappings between designs and labels, enabling diverse solution sampling. However, standard conditional flow matching (CFM), when adapted to inverse problems by pairing labels with design parameters, exhibits strong sensitivity to their arbitrary ordering and scaling, leading to unstable training. We introduce Diagonal Flow Matching (Diag-CFM), which resolves this through a zero-anchoring strategy that pairs design coordinates with noise and labels with zero, making the learning problem provably invariant to coordinate permutations. This yields order-of-magnitude improvements in round-trip accuracy over CFM and invertible neural network baselines across design dimensions up to $P{=}100$. We develop two architecture-intrinsic uncertainty metrics, Zero-Deviation and Self-Consistency, that enable three practical capabilities: selecting the best candidate among multiple generations, abstaining from unreliable predictions, and detecting out-of-distribution targets; consistently outperforming ensemble and general-purpose alternatives across all tasks. We validate on airfoil, gas turbine combustor, and an analytical benchmark with scalable design dimension.
Authors: Nitish Nagesh, Elahe Khatibi, Thomas Hughes, Mahdi Bagheri, Pratik Gajane, Amir M. Rahmani
Abstract: Causal discovery in health data faces evaluation challenges when ground truth is unknown. We address this by collaborating with experts to construct proxy ground-truth graphs, establishing benchmarks for synthetic Alzheimer's disease and heart failure clinical records data. We evaluate the Peter-Clark, Greedy Equivalence Search, and Fast Causal Inference algorithms on structural recovery and path-specific fairness decomposition, going beyond composite fairness scores. On synthetic data, Peter-Clark achieved the best structural recovery. On heart failure data, Fast Causal Inference achieved the highest utility. For path-specific effects, ejection fraction contributed 3.37 percentage points to the indirect effect in the ground truth. These differences drove variations in the fairness-utility ratio across algorithms. Our results highlight the need for graph-aware fairness evaluation and fine-grained path-specific analysis when deploying causal discovery in clinical applications.
Authors: Giacomo Albi, Alessandro Alla, Elisa Calzola
Abstract: We propose a data-driven framework to learn interaction kernels in stochastic multi-agent systems. Our approach aims at identifying the functional form of nonlocal interaction and diffusion terms directly from trajectory data, without any a priori knowledge of the underlying interaction structure. Starting from a discrete stochastic binary-interaction model, we formulate the inverse problem as a sequence of sparse regression tasks in structured finite-dimensional spaces spanned by compactly supported basis functions, such as piecewise linear polynomials. In particular, we assume that pairwise interactions between agents are not directly observed and that only limited trajectory data are available. To address these challenges, we propose two complementary identification strategies. The first based on random-batch sampling, which compensates for latent interactions while preserving the statistical structure of the full dynamics in expectation. The second based on a mean-field approximation, where the empirical particle density reconstructed from the data defines a continuous nonlocal regression problem. Numerical experiments demonstrate the effectiveness and robustness of the proposed framework, showing accurate reconstruction of both interaction and diffusion kernels even from partially observed. The method is validated on benchmark models, including bounded-confidence and attraction-repulsion dynamics, where the two proposed strategies achieve comparable levels of accuracy.
Authors: Emil Hardarson, Luka Biedebach, \'Omar Bessi \'Omarsson, Teitur Hr\'olfsson, Anna Sigridur Islind, Mar\'ia \'Oskarsd\'ottir
Abstract: Applying machine learning to sensitive time-series data is often bottlenecked by the iteration loop: Performance depends strongly on preprocessing and architecture, yet training often has to run on-premise under strict data-local constraints. This is a common problem in healthcare and other privacy-constrained domains (e.g., a hospital developing deep learning models on patient EEG). This bottleneck is particularly challenging in multimodal fusion, where sensor modalities must be individually preprocessed and then combined. LLM-guided neural architecture search (NAS) can automate this exploration, but most existing workflows assume cloud execution or access to data-derived artifacts that cannot be exposed. We present a novel data-local, LLM-guided search framework that handles candidate pipelines remotely while executing all training and evaluation locally under a fixed protocol. The controller observes only trial-level summaries, such as pipeline descriptors, metrics, learning-curve statistics, and failure logs, without ever accessing raw samples or intermediate feature representations. Our framework targets multiclass, multimodal learning via one-vs-rest binary experts per class and modality, a lightweight fusion MLP, and joint search over expert architectures and modality-specific preprocessing. We evaluate our method on two regimes: UEA30 (public multivariate time-series classification dataset) and SleepEDFx sleep staging (heterogeneous clinical modalities such as EEG, EOG, and EMG). The results show that the modular baseline model is strong, and the LLM-guided NAS further improves it. Notably, our method finds models that perform within published ranges across most benchmark datasets. Across both settings, our method reduces manual intervention by enabling unattended architecture search while keeping sensitive data on-premise.
Authors: Hanxian Huang, Igor Fedorov, Andrey Gromov, Bernard Beckerman, Naveen Suda, David Eriksson, Maximilian Balandat, Rylan Conway, Patrick Huber, Chinnadhurai Sankar, Ayushi Dalmia, Zechun Liu, Lemeng Wu, Tarek Elgamal, Adithya Sagar, Vikas Chandra, Raghuraman Krishnamoorthi
Abstract: Real-time AI experiences call for on-device large language models (OD-LLMs) optimized for efficient deployment on resource-constrained hardware. The most useful OD-LLMs produce near-real-time responses and exhibit broad hardware compatibility, maximizing user reach. We present a methodology for designing such models using hardware-in-the-loop architecture search under mobile latency constraints. This system is amenable to industry-scale deployment: it generates models deployable without custom kernels and compatible with standard mobile runtimes like Executorch. Our methodology avoids specialized attention mechanisms and instead uses attention skipping for long-context acceleration. Our approach jointly optimizes model architecture (layers, dimensions) and attention pattern. To efficiently evaluate candidates, we treat each as a pruned version of a pretrained backbone with inherited weights, thereby achieving high accuracy with minimal continued pretraining. We leverage the low cost of latency evaluation in a staged process: learning an accurate latency model first, then searching for the Pareto-frontier across latency and quality. This yields MobileLLM-Flash, a family of foundation models (350M, 650M, 1.4B) for efficient on-device use with strong capabilities, supporting up to 8k context length. MobileLLM-Flash delivers up to 1.8x and 1.6x faster prefill and decode on mobile CPUs with comparable or superior quality. Our analysis of Pareto-frontier design choices offers actionable principles for OD-LLM design.
Authors: Swadesh Jana, Cansu Sancaktar, Tom\'a\v{s} Dani\v{s}, Georg Martius, Antonio Orvieto, Pavel Kolev
Abstract: Asymmetric self-play has emerged as a promising paradigm for post-training large language models, where a teacher continually generates questions for a student to solve at the edge of the student's learnability. Although these methods promise open-ended data generation bootstrapped from no human data, they suffer from one major problem: not all problems that are hard to solve are interesting or informative to improve the overall capabilities of the model. Current asymmetric self-play methods are goal-agnostic with no real grounding. We propose Guided Asymmetric Self-Play (GASP), where grounding is provided by real-data goalpost questions that are identified to pose a hard exploration challenge to the model. During self-play, the teacher first generates an easier variant of a hard question, and then a harder variant of that easier question, with the goal of gradually closing the gap to the goalpost throughout training. Doing so, we improve pass@20 on LiveCodeBench (LCB) by 2.5% over unguided asymmetric self-play, and through the curriculum constructed by the teacher, we manage to solve hard goalpost questions that remain out of reach for all baselines.
Authors: Egor Shulgin, Dimitri von R\"utte, Tianyue H. Zhang, Niccol\`o Ajroldi, Bernhard Sch\"olkopf, Antonio Orvieto
Abstract: Hyperparameter transfer has become an important component of modern large-scale training recipes. Existing methods, such as muP, primarily focus on transfer between model sizes, with transfer across batch sizes and training horizons often relying on empirical scaling rules informed by insights from timescale preservation, quadratic proxies, and continuous-time approximations. We study hyperparameter scaling laws for modern first-order optimizers through the lens of recent convergence bounds for methods based on the Linear Minimization Oracle (LMO), a framework that includes normalized SGD, signSGD (approximating Adam), and Muon. Treating bounds in recent literature as a proxy and minimizing them across different tuning regimes yields closed-form power-law schedules for learning rate, momentum, and batch size as functions of the iteration or token budget. Our analysis, holding model size fixed, recovers most insights and observations from the literature under a unified and principled perspective, with clear directions open for future research. Our results draw particular attention to the interaction between momentum and batch-size scaling, suggesting that optimal performance may be achieved with several scaling strategies.
Authors: Jing Yan, Kang You, Zhezhi He, Yaoyu Zhang
Abstract: Achieving deterministic computation results in asynchronous neuromorphic systems remains a fundamental challenge due to the inherent temporal stochasticity of continuous-time hardware. To address this, we develop a unified continuous-time framework for spiking neural networks (SNNs) that couples the Law of Charge Conservation with minimal neuron-level constraints. This integration ensures that the terminal state depends solely on the aggregate input charge, providing a unique cumulated output invariant to temporal stochasticity. We prove that this mapping is strictly invariant to spike timing in acyclic networks, whereas recurrent connectivity can introduce temporal sensitivity. Furthermore, we establish an exact representational correspondence between these charge-conserving SNNs and quantized artificial neural networks, bridging the gap between static deep learning and event-driven dynamics without approximation errors. These results establish a rigorous theoretical basis for designing continuous-time neuromorphic systems that harness the efficiency of asynchronous processing while maintaining algorithmic determinism.
Authors: Xiaolong Han, Ferrante Neri, Zijian Jiang, Fang Wu, Yanfang Ye, Lu Yin, Zehong Wang
Abstract: Each LoRA checkpoint compactly stores task-specific updates in low-rank weight matrices, offering an efficient way to adapt large language models to new tasks and domains. In principle, these weights already encode what the adapter does and how well it performs. In this paper, we ask whether this information can be read directly from the weights, without running the base model or accessing training data. A key obstacle is that a single LoRA update can be factorized in infinitely many ways. Without resolving this ambiguity, models trained on the factors may fit the particular factorization rather than the underlying update. To this end, we propose \methodfull, which maps each LoRA update to a provably canonical form via QR decomposition followed by SVD, so that all equivalent factorizations share the same representation. The resulting components are then tokenized and processed by a Transformer to produce a weight-space embedding. Across language and vision LoRA collections, W2T achieves strong results on attribute classification, performance prediction, and adapter retrieval, demonstrating that LoRA weights reliably indicate model behavior once factorization ambiguity is removed. Code is available at https://github.com/xiaolonghan2000/Weight2Token.
Authors: Parikshit Gopalan, Konstantinos Stavropoulos, Kunal Talwar, Pranay Tankala
Abstract: Recent work has highlighted the centrality of smooth calibration [Kakade and Foster, 2008] as a robust measure of calibration error. We generalize, unify, and extend previous results on smooth calibration, both as a robust calibration measure, and as a step towards omniprediction, which enables predictions with low regret for downstream decision makers seeking to optimize some proper loss unknown to the predictor. We present a new omniprediction guarantee for smoothly calibrated predictors, for the class of all bounded proper losses. We smooth the predictor by adding some noise to it, and compete against smoothed versions of any benchmark predictor on the space, where we add some noise to the predictor and then post-process it arbitrarily. The omniprediction error is bounded by the smooth calibration error of the predictor and the earth mover's distance from the benchmark. We exhibit instances showing that this dependence cannot, in general, be improved. We show how this unifies and extends prior results [Foster and Vohra, 1998; Hartline, Wu, and Yang, 2025] on omniprediction from smooth calibration. We present a crisp new characterization of smooth calibration in terms of the earth mover's distance to the closest perfectly calibrated joint distribution of predictions and labels. This also yields a simpler proof of the relation to the lower distance to calibration from [Blasiok, Gopalan, Hu, and Nakkiran, 2023]. We use this to show that the upper distance to calibration cannot be estimated within a quadratic factor with sample complexity independent of the support size of the predictions. This is in contrast to the distance to calibration, where the corresponding problem was known to be information-theoretically impossible: no finite number of samples suffice [Blasiok, Gopalan, Hu, and Nakkiran, 2023].
Authors: Yifan Zhang
Abstract: Recent work has made clear that the residual pathway is not mere optimization plumbing; it is part of the model's representational machinery. We agree, but argue that the cleanest way to organize this design space is through a two-axis view of the Transformer. A decoder evolves information along two ordered dimensions: sequence position and layer depth. Self-attention already provides adaptive mixing along the sequence axis, whereas the residual stream usually performs fixed addition along the depth axis. If we fix a token position and treat layer index as the ordered variable, then a causal depth-wise residual attention read is exactly the same local operator as causal short sliding-window attention (ShortSWA), except written over depth rather than over sequence. This is the core residual stream duality behind Transformer$^2$. This perspective also clarifies the recent literature. ELC-BERT and DenseFormer already show that learned aggregation over depth can outperform uniform residual accumulation, while Vertical Attention, DeepCrossAttention (DCA), MUDDFormer, and Attention Residuals move further toward explicit attention-based routing over earlier layers. The key point, however, is that operator-level duality does not imply systems-level symmetry. For large-scale autoregressive models, sequence-axis ShortSWA is usually the more hardware-friendly placement because it reuses token-side sliding-window kernels, KV-cache layouts, and chunked execution. If the goal is instead to change the shortcut itself, Deep Delta Learning (DDL) is the cleaner intervention because it modifies the residual operator directly rather than adding a separate cross-layer retrieval path. Our recommendation is therefore simple: use DDL when the shortcut is the object of interest, and use sequence-axis ShortSWA when the goal is local adaptive mixing.
Authors: Xiaozhou Ye, Feng Jiang, Zihan Wang, Xiulai Wang, Yutao Zhang, Kevin I-Kai Wang
Abstract: Human Activity Recognition using wearable inertial sensors is foundational to healthcare monitoring, fitness analytics, and context-aware computing, yet its deployment is hindered by cross-user variability arising from heterogeneous physiological traits, motor habits, and sensor placements. Existing domain generalization approaches either neglect temporal dependencies in sensor streams or depend on impractical target-domain annotations. We propose a different paradigm: modeling generalizable feature extraction as a collaborative sequential generation process governed by reinforcement learning. Our framework, CTFG (Collaborative Temporal Feature Generation), employs a Transformer-based autoregressive generator that incrementally constructs feature token sequences, each conditioned on prior context and the encoded sensor input. The generator is optimized via Group-Relative Policy Optimization, a critic-free algorithm that evaluates each generated sequence against a cohort of alternatives sampled from the same input, deriving advantages through intra-group normalization rather than learned value estimation. This design eliminates the distribution-dependent bias inherent in critic-based methods and provides self-calibrating optimization signals that remain stable across heterogeneous user distributions. A tri-objective reward comprising class discrimination, cross-user invariance, and temporal fidelity jointly shapes the feature space to separate activities, align user distributions, and preserve fine-grained temporal content. Evaluations on the DSADS and PAMAP2 benchmarks demonstrate state-of-the-art cross-user accuracy (88.53\% and 75.22\%), substantial reduction in inter-task training variance, accelerated convergence, and robust generalization under varying action-space dimensionalities.
Authors: Qing-Mei Yang, Da-Qing Zhang
Abstract: This paper introduces a novel variational Bayesian method that integrates Tucker decomposition for efficient high-dimensional inverse problem solving. The method reduces computational complexity by transforming variational inference from a high-dimensional space to a lower-dimensional core tensor space via Tucker decomposition. A key innovation is the introduction of per-mode precision parameters, enabling adaptive regularization for anisotropic structures. For instance, in directional image deblurring, learned parameters align with physical anisotropy, applying stronger regularization to critical directions (e.g., row vs. column axes). The method further estimates noise levels from data, eliminating reliance on prior knowledge of noise parameters (unlike conventional benchmarks such as the discrepancy principle (DP)). Experimental evaluations across 2D deblurring, 3D heat conduction, and Fredholm integral equations demonstrate consistent improvements in quantitative metrics (PSNR, SSIM) and qualitative visualizations (error maps, precision parameter trends) compared to L-curve criterion, generalized cross-validation (GCV), unbiased predictive risk estimator (UPRE), and DP. The approach scales to problems with 110,000 variables and outperforms existing methods by 0.73-2.09 dB in deblurring tasks and 6.75 dB in 3D heat conduction. Limitations include sensitivity to rank selection in Tucker decomposition and the need for theoretical analysis. Future work will explore automated rank selection and theoretical guarantees. This method bridges Bayesian theory and scalable computation, offering practical solutions for large-scale inverse problems in imaging, remote sensing, and scientific computing.
Authors: Chen-Hao Chao, Wei-Fang Sun, Junwei Qua, Chun-Yi Lee, Rahul G. Krishnan
Abstract: Masked diffusion models (MDM) exhibit superior generalization when learned using a Partial masking scheme (Prime). This approach converts tokens into sub-tokens and models the diffusion process at the sub-token level. We identify two limitations of the MDM-Prime framework. First, we lack tools to guide the hyperparameter choice of the token granularity in the subtokenizer. Second, we find that the function form of the subtokenizer significantly degrades likelihood estimation when paired with commonly used Byte-Pair-Encoding (BPE) tokenizers. To address these limitations, we study the tightness of the variational bound in MDM-Prime and develop MDM-Prime-v2, a masked diffusion language model which incorporates Binary Encoding and Index Shuffling. Our scaling analysis reveals that MDM-Prime-v2 is 21.8$\times$ more compute-efficient than autoregressive models (ARM). In compute-optimal comparisons, MDM-Prime-v2 achieves 7.77 perplexity on OpenWebText, outperforming ARM (12.99), MDM (18.94), and MDM-Prime (13.41). When extending the model size to 1.1B parameters, our model further demonstrates superior zero-shot accuracy on various commonsense reasoning tasks.
Authors: Ankit Ghimire, Saydul Akbar Murad, Nick Rahimi
Abstract: Bitcoin transaction networks are large scale socio- technical systems in which activities are represented through multi-hop interaction patterns. Graph Neural Networks(GNNs) have become a widely adopted tool for analyzing such systems, supporting tasks such as entity detection and transaction classification. Large-scale datasets like Elliptic have allowed for a rise in the analysis of these systems and in tasks such as fraud detection. In these settings, the amount of transactional context available to each node is determined by the neighborhood aggregation and sampling strategies, yet the interaction between these receptive fields and embedding geometry has received limited attention. In this work, we conduct a controlled comparison of Euclidean and tangent-space hyperbolic GNNs for node classification on a large Bitcoin transaction graph. By explicitly varying the neighborhood while keeping the model architecture and dimensionality fixed, we analyze the differences in two embedding spaces. We further examine optimization behavior and observe that joint selection of learning rate and curvature plays a critical role in stabilizing high-dimensional hyperbolic embeddings. Overall, our findings provide practical insights into the role of embedding geometry and neighborhood depth when modeling large-scale transaction networks, informing the deployment of hyperbolic GNNs for computational social systems.
Authors: Karen Sargsyan
Abstract: Neural networks systematically fail at compositional generalization -- producing correct outputs for novel combinations of known parts. We show that this failure is architectural: compositional generalization is equivalent to functoriality of the decoder, and this perspective yields both guarantees and impossibility results. We compile Higher Inductive Type (HIT) specifications into neural architectures via a monoidal functor from the path groupoid of a target space to a category of parametric maps: path constructors become generator networks, composition becomes structural concatenation, and 2-cells witnessing group relations become learned natural transformations. We prove that decoders assembled by structural concatenation of independently generated segments are strict monoidal functors (compositional by construction), while softmax self-attention is not functorial for any non-trivial compositional task. Both results are formalized in Cubical Agda. Experiments on three spaces validate the full hierarchy: on the torus ($\mathbb{Z}^2$), functorial decoders outperform non-functorial ones by 2-2.7x; on $S^1 \vee S^1$ ($F_2$), the type-A/B gap widens to 5.5-10x; on the Klein bottle ($\mathbb{Z} \rtimes \mathbb{Z}$), a learned 2-cell closes a 46% error gap on words exercising the group relation.
Authors: Yuxuan Zhu, Daniel Kang
Abstract: Reinforcement learning with verifiable rewards (RLVR) has driven recent capability advances of large language models across various domains. Recent studies suggest that improved RLVR algorithms allow models to learn effectively from incorrect annotations, achieving performance comparable to learning from clean data. In this work, we show that these findings are invalid because the claimed 100% noisy training data is "contaminated" with clean data. After rectifying the dataset with a rigorous re-verification pipeline, we demonstrate that noise is destructive to RLVR. We show that existing RLVR algorithm improvements fail to mitigate the impact of noise, achieving similar performance to that of the basic GRPO. Furthermore, we find that the model trained on truly incorrect annotations performs 8-10% worse than the model trained on clean data across mathematical reasoning benchmarks. Finally, we show that these findings hold for real-world noise in Text2SQL tasks, where training on real-world, human annotation errors cause 5-12% lower accuracy than clean data. Our results show that current RLVR methods cannot yet compensate for poor data quality. High-quality data remains essential.
Authors: Keru Chen, Jun Luo, Sen Lin, Yingbin Liang, Alvaro Velasquez, Nathaniel Bastian, Shaofeng Zou
Abstract: Hierarchical Instruction Following (HIF) refers to the problem of prompting large language models with a priority-ordered stack of instructions. Standard methods like RLHF and DPO typically fail in this problem since they mainly optimize for a single objective, failing to explicitly enforce system prompt compliance. Meanwhile, supervised fine-tuning relies on mimicking filtered, compliant data, which fails to establish the priority asymmetry at the algorithmic level. In this paper, we introduce \textsc{HIPO}, a novel alignment framework that formulates HIF as a Constrained Markov Decision Process. \textsc{HIPO} elevates system prompts from mere input context to strict algorithmic boundaries. Using a primal-dual safe reinforcement learning approach, the algorithm dynamically enforces system prompt compliance as an explicit constraint, maximizing user utility strictly within this feasible region. Extensive evaluations across diverse model architectures (e.g., Qwen, Phi, Llama) demonstrate that \textsc{HIPO} significantly improves both system compliance and user utility. Furthermore, mechanistic analysis reveals that this constrained optimization autonomously drives the model to shift its attention toward long-range system tokens, providing a principled foundation for reliable LLM deployment in complex workflows.
Authors: Long Li, Zhijian Zhou, Tianyi Wang, Weidi Xu, Zuming Huang, Wei Chu, Zhe Wang, Shirui Pan, Chao Qu, Yuan Qi
Abstract: While Reinforcement Learning (RL) enhances Large Language Model reasoning, on-policy algorithms like GRPO are sample-inefficient as they discard past rollouts. Existing experience replay methods address this by reusing accurate samples for direct policy updates, but this often incurs high computational costs and causes mode collapse via overfitting. We argue that historical data should prioritize sustaining diversity rather than simply reinforcing accuracy. To this end, we propose Dynamic Jensen-Shannon Replay (DyJR), a simple yet effective regularization framework using a dynamic reference distribution from recent trajectories. DyJR introduces two innovations: (1) A Time-Sensitive Dynamic Buffer that uses FIFO and adaptive sizing to retain only temporally proximal samples, synchronizing with model evolution; and (2) Jensen-Shannon Divergence Regularization, which replaces direct gradient updates with a distributional constraint to prevent diversity collapse. Experiments on mathematical reasoning and Text-to-SQL benchmarks demonstrate that DyJR significantly outperforms GRPO as well as baselines such as RLEP and Ex-GRPO, while maintaining training efficiency comparable to the original GRPO. Furthermore, from the perspective of Rank-$k$ token probability evolution, we show that DyJR enhances diversity and mitigates over-reliance on Rank-1 tokens, elucidating how specific sub-modules of DyJR influence the training dynamics.
Authors: Abhijit Kumar, Natalya Kumar, Shikhar Gupta
Abstract: Critic-free reinforcement learning with verifiable rewards (RLVR) improves code generation by optimizing unit-test pass rates, but GRPO-style updates suffer from coarse credit assignment: a single outcome signal is spread uniformly across long programs even when failure stems from a localized semantic error. We propose Execution-Grounded Credit Assignment (EGCA), which localizes GRPO updates using execution traces. For programs that satisfy algorithmic constraints but fail tests, EGCA executes the candidate and a canonical reference solution (curated once offline; used for analysis, not supervision) under identical instrumentation, identifies the earliest semantic divergence, and assigns advantage only to the corresponding token span while masking downstream tokens. EGCA is a drop-in modification requiring no critic, auxiliary loss, or learned verifier, yielding 82.1% pass@1 on HumanEval (+3.1 over GRPO) and 68.9% on MBPP (+1.5) with 18% wall-clock overhead.
Authors: Christina Baek, Ricardo Pio Monti, David Schwab, Amro Abbas, Rishabh Adiga, Cody Blakeney, Maximilian B\"other, Paul Burstein, Aldo Gael Carranza, Alvin Deng, Parth Doshi, Vineeth Dorna, Alex Fang, Tony Jiang, Siddharth Joshi, Brett W. Larsen, Jason Chan Lee, Katherine L. Mentzer, Luke Merrick, Haakon Mongstad, Fan Pan, Anshuman Suri, Darren Teh, Jason Telanoff, Jack Urbanek, Zhengping Wang, Josh Wills, Haoli Yin, Aditi Raghunathan, J. Zico Kolter, Bogdan Gaza, Ari Morcos, Matthew Leavitt, Pratyush Maini
Abstract: Real-world model deployments demand strong performance on narrow domains where data is often scarce. Typically, practitioners finetune models to specialize them, but this risks overfitting to the domain and forgetting general knowledge. We study a simple strategy, specialized pretraining (SPT), where a small domain dataset, typically reserved for finetuning, is repeated starting from pretraining as a fraction of the total tokens. Across three specialized domains (ChemPile, MusicPile, and ProofPile), SPT improves domain performance and preserves general capabilities after finetuning compared to standard pretraining. In our experiments, SPT reduces the pretraining tokens needed to reach a given domain performance by up to 1.75x. These gains grow when the target domain is underrepresented in the pretraining corpus: on domains far from web text, a 1B SPT model outperforms a 3B standard pretrained model. Beyond these empirical gains, we derive overfitting scaling laws to guide practitioners in selecting the optimal domain-data repetition for a given pretraining compute budget. Our observations reveal the finetuner's fallacy: while finetuning may appear to be the cheapest path to domain adaptation, introducing specialized domain data during pretraining stretches its utility. SPT yields better specialized domain performance (via reduced overfitting across repeated exposures) and better general domain performance (via reduced forgetting during finetuning), ultimately achieving stronger results with fewer parameters and less total compute when amortized over inference. To get the most out of domain data, incorporate it as early in training as possible.
Authors: Camille Jimenez Cortes, Philippe Lalanda, German Vega
Abstract: Predicting drug response in patients from preclinical data remains a major challenge in precision oncology due to the substantial biological gap between in vitro cell lines and patient tumors. Rather than aiming to improve absolute in vitro prediction accuracy, this work examines whether explicitly separating representation learning from task supervision enables more sample-efficient adaptation of drug-response models to patient data under strong biological domain shift. We propose a staged transfer-learning framework in which cellular and drug representations are first learned independently from large collections of unlabeled pharmacogenomic data using autoencoder-based representation learning. These representations are then aligned with drug-response labels on cell-line data and subsequently adapted to patient tumors using few-shot supervision. Through a systematic evaluation spanning in-domain, cross-dataset, and patient-level settings, we show that unsupervised pretraining provides limited benefit when source and target domains overlap substantially, but yields clear gains when adapting to patient tumors with very limited labeled data. In particular, the proposed framework achieves faster performance improvements during few-shot patient-level adaptation while maintaining comparable accuracy to single-phase baselines on standard cell-line benchmarks. Overall, these results demonstrate that learning structured and transferable representations from unlabeled molecular profiles can substantially reduce the amount of clinical supervision required for effective drug-response prediction, offering a practical pathway toward data-efficient preclinical-to-clinical translation.
Authors: Yiming Zong, Jiashuo Jiang
Abstract: We consider the dynamic resource allocation problem where the decision space is finite-dimensional, yet the solution must satisfy a large or even infinite number of constraints revealed via streaming data or oracle feedback. We model this challenge as an Online Semi-infinite Linear Programming (OSILP) problem and develop a novel LP formulation to solve it approximately. Specifically, we employ function approximation to reduce the number of constraints to a constant $q$. This addresses a key limitation of traditional online LP algorithms, whose regret bounds typically depend on the number of constraints, leading to poor performance in this setting. We propose a dual-based algorithm to solve our new formulation, which offers broad applicability through the selection of appropriate potential functions. We analyze this algorithm under two classical input models-stochastic input and random permutation-establishing regret bounds of $O(q\sqrt{T})$ and $O\left(\left(q+q\log{T})\sqrt{T}\right)\right)$ respectively. Note that both regret bounds are independent of the number of constraints, which demonstrates the potential of our approach to handle a large or infinite number of constraints. Furthermore, we investigate the potential to improve upon the $O(q\sqrt{T})$ regret and propose a two-stage algorithm, achieving $O(q\log{T} + q/\epsilon)$ regret under more stringent assumptions. We also extend our algorithms to the general function setting. A series of experiments validates that our algorithms outperform existing methods when confronted with a large number of constraints.
Authors: Yongyu Mu, Jiali Zeng, Fandong Meng, JingBo Zhu, Tong Xiao
Abstract: Through encouraging self-exploration, reinforcement learning from verifiable rewards (RLVR) has significantly advanced the mathematical reasoning capabilities of large language models. As the starting point for RLVR, the capacity of supervised fine-tuning (SFT) to memorize new chain-of-thought trajectories provides a crucial initialization that shapes the subsequent exploration landscape. However, existing research primarily focuses on facilitating exploration during RLVR training, leaving exploration-aware SFT under-explored. To bridge this gap, we propose Offline eXploration-Aware (OXA) fine-tuning. Specifically, OXA optimizes two objectives: promoting low-confidence verified teacher-distillation data to internalize previously uncaptured reasoning patterns, and suppressing high-confidence incorrect self-distillation data to redistribute probability mass of incorrect patterns toward potentially correct candidates. Experimental results across 6 benchmarks show that OXA consistently improves mathematical reasoning performance, especially achieving an average gain of $+6$ Pass@1 and $+5$ Pass@$k$ points compared to conventional SFT on the Qwen2.5-1.5B-Math. Crucially, OXA elevates initial policy entropy, and performance gains persist throughout extensive RLVR training, demonstrating the long-term value of OXA.
Authors: Kaixuan Du, Meng Cao, Hang Zhang, Yukun Wang, Xiangzhou Huang, Ni Li
Abstract: Current label-free RLVR approaches for large language models (LLMs), such as TTRL and Self-reward, have demonstrated effectiveness in improving the performance of LLMs on complex reasoning tasks. However, these methods rely heavily on accurate pseudo-label estimation and converge on spurious yet popular answers, thereby trapping in a dominant mode and limiting further improvements. Building on this, we propose Dual Consensus Reinforcement Learning (DCRL), a novel self-supervised training method which is capable of generating more reliable learning signals through a two-stage consensus mechanism. The model initially acts as an anchor, producing dominant responses; then it serves as an explorer, generating diverse auxiliary signals via a temporary unlearning process. The final training target is derived from the harmonic mean of these two signal sets. Notably, the process operates entirely without external models or supervision. Across eight benchmarks and diverse domains, DCRL consistently improves Pass@1 over majority vote while yielding more stable training dynamics. These results demonstrate that DCRL establishes a scalable path toward stronger reasoning without labels.
Authors: Chenglin Li, Hang Xu, Jianting Chen, Yanfei Zhang
Abstract: Accurately, efficiently, and stably computing complex fluid flows and their evolution near solid boundaries over long horizons remains challenging. Conventional numerical solvers require fine grids and small time steps to resolve near-wall dynamics, resulting in high computational costs, while purely data-driven surrogate models accumulate rollout errors and lack robustness under extrapolative conditions. To address these issues, this study extends existing neural PDE solvers by developing a physics-integrated differentiable framework for long-horizon prediction of immersed-boundary flows. A key design aspect of the framework includes an important improvement, namely the structural integration of physical principles into an end-to-end differentiable architecture incorporating a PDE-based intermediate velocity module and a multi-direct forcing immersed boundary module, both adhering to the pressure-projection procedure for incompressible flow computation. The computationally expensive pressure projection step is substituted with a learned implicit correction using ConvResNet blocks to reduce cost, and a sub-iteration strategy is introduced to separate the embedded physics module's stability requirement from the surrogate model's time step, enabling stable coarse-grid autoregressive rollouts with large effective time increments. The framework uses only single-step supervision for training, eliminating long-horizon backpropagation and reducing training time to under one hour on a single GPU. Evaluations on benchmark cases of flow past a stationary cylinder and a rotationally oscillating cylinder at Re=100 show the proposed model consistently outperforms purely data-driven, physics-loss-constrained, and coarse-grid numerical baselines in flow-field fidelity and long-horizon stability, while achieving an approximately 200-fold inference speedup over the high-resolution solver.
Authors: Saarang Panchavati, Uddhav Panchavati, Corey Arnold, William Speier
Abstract: Electroencephalography (EEG) is a widely used tool for studying brain function, with applications in clinical neuroscience, diagnosis, and brain-computer interfaces (BCIs). Recent EEG foundation models trained on large unlabeled corpora aim to learn transferable representations, but their effectiveness remains unclear; reported improvements over smaller task-specific models are often modest, sensitive to downstream adaptation and fine-tuning strategies, and limited under linear probing. We hypothesize that one contributing factor is the reliance on signal reconstruction as the primary self-supervised learning (SSL) objective, which biases representations toward high-variance artifacts rather than task-relevant neural structure. To address this limitation, we explore an SSL paradigm based on Joint Embedding Predictive Architectures (JEPA), which learn by predicting latent representations instead of reconstructing raw signals. While earlier JEPA-style methods often rely on additional heuristics to ensure training stability, recent advances such as LeJEPA provide a more principled and stable formulation. We introduce Laya, the first EEG foundation model based on LeJEPA. Across a range of EEG benchmarks, Laya demonstrates improved performance under linear probing compared to reconstruction-based baselines, suggesting that latent predictive objectives offer a promising direction for learning transferable, high-level EEG representations.
Authors: Hoang Phan, Quang H. Nguyen, Hung T. Q. Le, Xiusi Chen, Heng Ji, Khoa D. Doan
Abstract: Large Reasoning Models (LRMs) exhibit backtracking and self-verification mechanisms that enable them to revise intermediate steps and reach correct solutions, yielding strong performance on complex logical benchmarks. We hypothesize that such behaviors are beneficial only when the model has sufficiently strong "critique" ability to detect its own mistakes. This work systematically investigates how current LRMs recover from errors by inserting arithmetic mistakes in their intermediate reasoning steps. Notably, we discover a peculiar yet important phenomenon: despite the error propagating through the chain-of-thought (CoT), resulting in an incorrect intermediate conclusion, the model still reaches the correct final answer. This recovery implies that the model must possess an internal mechanism to detect errors and trigger self-correction, which we refer to as the hidden critique ability. Building on feature space analysis, we identify a highly interpretable critique vector representing this behavior. Extensive experiments across multiple model scales and families demonstrate that steering latent representations with this vector improves the model's error detection capability and enhances the performance of test-time scaling at no extra training cost. Our findings provide a valuable understanding of LRMs' critique behavior, suggesting a promising direction to control and improve their self-verification mechanism. Our code is available at https://github.com/mail-research/lrm-critique-vectors.
URLs: https://github.com/mail-research/lrm-critique-vectors.
Authors: Jia Qing Yap
Abstract: We train nine sparse autoencoders (SAEs) on the residual stream of Qwen 3.5-35B-A3B, a 35-billion-parameter Mixture-of-Experts model with a hybrid GatedDeltaNet/attention architecture, and use them to identify and steer five agentic behavioral traits. Our method trains linear probes on SAE latent activations, then projects the probe weights back through the SAE decoder to obtain continuous steering vectors in the model's native activation space. This bypasses the SAE's top-k discretization, enabling fine-grained behavioral intervention at inference time with no retraining. Across 1,800 agent rollouts (50 scenarios times 36 conditions), we find that autonomy steering at multiplier 2 achieves Cohen's d = 1.01 (p < 0.0001), shifting the model from asking the user for help 78% of the time to proactively executing code and searching the web. Cross-trait analysis, however, reveals that all five steering vectors primarily modulate a single dominant agency axis (the disposition to act independently versus defer to the user), with trait specific effects appearing only as secondary modulations in tool-type composition and dose-response shape. The tool-use vector steers behavior (d = 0.39); the risk-calibration vector produces only suppression. We additionally show that steering only during autoregressive decoding has zero effect (p > 0.35), providing causal evidence that behavioral commitments are computed during prefill in GatedDeltaNet architectures.
Authors: Yong Il Choi
Abstract: Dropout is a representative regularization technique that stochastically deactivates hidden units during training to mitigate overfitting. In contrast, standard inference executes the full network with dense computation, so its goal and mechanism differ from conditional computation, where the executed operations depend on the input. This paper organizes DynamicGate-MLP into a single framework that simultaneously satisfies both the regularization view and the conditional-computation view. Instead of a random mask, the proposed model learns gates that decide whether to use each unit (or block), suppressing unnecessary computation while implementing sample-dependent execution that concentrates computation on the parts needed for each input. To this end, we define continuous gate probabilities and, at inference time, generate a discrete execution mask from them to select an execution path. Training controls the compute budget via a penalty on expected gate usage and uses a Straight-Through Estimator (STE) to optimize the discrete mask. We evaluate DynamicGate-MLP on MNIST, CIFAR-10, Tiny-ImageNet, Speech Commands, and PBMC3k, and compare it with various MLP baselines and MoE-style variants. Compute efficiency is compared under a consistent criterion using gate activation ratios and a layerweighted relative MAC metric, rather than wall-clock latency that depends on hardware and backend kernels.
Authors: Andrea Moleri, Christian Intern\`o, Ali Raza, Markus Olhofer, David Klindt, Fabio Stella, Barbara Hammer
Abstract: Federated Learning (FL) enables distributed optimization without compromising data sovereignty. Yet, where local label distributions are mutually exclusive, standard weight aggregation fails due to conflicting optimization trajectories. Often, FL methods rely on pretrained foundation models, introducing unrealistic assumptions. We introduce FederatedFactory, a zero-dependency framework that inverts the unit of federation from discriminative parameters to generative priors. By exchanging generative modules in a single communication round, our architecture supports ex nihilo synthesis of universally class balanced datasets, eliminating gradient conflict and external prior bias entirely. Evaluations across diverse medical imagery benchmarks, including MedMNIST and ISIC2019, demonstrate that our approach recovers centralized upper-bound performance. Under pathological heterogeneity, it lifts baseline accuracy from a collapsed 11.36% to 90.57% on CIFAR-10 and restores ISIC2019 AUROC to 90.57%. Additionally, this framework facilitates exact modular unlearning through the deterministic deletion of specific generative modules.
Authors: David Orlando Salazar Torres, Diyar Altinses, Andreas Schwung
Abstract: Neural network architectures designed for function parameterization, such as the Bag-of-Functions (BoF) framework, bridge the gap between the expressivity of deep learning and the interpretability of classical signal processing. However, these models are inherently sensitive to parameter initialization, as traditional data-agnostic schemes fail to capture the structural properties of the target signals, often leading to suboptimal convergence. In this work, we propose a prior-informed design strategy that leverages the intrinsic spectral and temporal structure of the data to guide both network initialization and architectural configuration. A principled methodology is introduced that uses the Fast Fourier Transform to extract dominant seasonal priors, informing model depth and initial states, and a residual-based regression approach to parameterize trend components. Crucially, this structural alignment enables a substantial reduction in encoder dimensionality without compromising reconstruction fidelity. A supporting theoretical analysis provides guidance on trend estimation under finite-sample regimes. Extensive experiments on synthetic and real-world benchmarks demonstrate that embedding data-driven priors significantly accelerates convergence, reduces performance variability across trials, and improves computational efficiency. Overall, the proposed framework enables more compact and interpretable architectures while outperforming standard initialization baselines, without altering the core training procedure.
Authors: Debdas Paul, Elisa Ferrari, Irene Gravili, Alessandro Cellerino
Abstract: Chronological age predictors often fail to achieve out-of-distribution (OOD) gen- eralization due to exogenous attributes such as race, gender, or tissue. Learning an invariant representation with respect to those attributes is therefore essential to improve OOD generalization and prevent overly optimistic results. In predic- tive settings, these attributes motivate bias mitigation; in causal analyses, they appear as confounders; and when protected, their suppression leads to fairness. We coherently explore these concepts with theoretical rigor and discuss the scope of an interpretable neural network model based on adversarial representation learning. Using publicly available mouse transcriptomic datasets, we illustrate the behavior of this model relative to conventional machine learning models. We observe that the outcome of this model is consistent with the predictive results of a published study demonstrating the effects of Elamipretide on mouse skeletal and cardiac muscle. We conclude by discussing the limitations of deriving causal interpretation from such purely predictive models.
Authors: Hong Jeong
Abstract: Frozen encoder--decoder language models are stateless: the latent representation is discarded after every forward pass, so no information persists across sessions. This paper presents a \textbf{proof-of-concept pilot study} showing that persistent memory in the \emph{continuous latent space} of a frozen LLM is feasible -- even under severe resource constraints (a single frozen Flan-T5-XL backbone, small trainable adapters, a single dataset). We implement six architectural methods spanning three injection points and four write mechanisms; unlike text-level memory systems, every write and read is a differentiable operation on dense vectors. After training only the adapter, the memory bank continues to accumulate at inference time without gradients, enabling \emph{conversational learning}. Under a forgetting-curve evaluation on LoCoMo at two capacity scales (1$\times$ and 10$\times$), the stateless baseline scores exactly zero; at 10$\times$ all six trained adapters produce positive memory-recall curves; at 1$\times$ three methods collapse, revealing capacity as a critical design parameter. Because the memory bank is a compact numerical array, it can be scaled to arbitrarily large capacity without altering the backbone. We argue that full end-to-end training with larger models, larger data, and orders-of-magnitude larger memory will yield substantially stronger results; this pilot study establishes the feasibility baseline and design-space taxonomy that such efforts require.
Authors: Yikai Gu, Lele Cao, Bo Zhao, Lei Lei, Lei You
Abstract: Counterfactual explanations (CE) explain model decisions by identifying input modifications that lead to different predictions. Most existing methods operate at the instance level. Distributional Counterfactual Explanations (DCE) extend this setting by optimizing an optimal transport objective that balances proximity to a factual input distribution and alignment to a target output distribution, with statistical certification via chance constrained bounds. However, DCE relies on gradient based optimization, while many real-world tabular pipelines are dominated by non-differentiable models. We propose DISCOVER, a model-agnostic solver for distributional counterfactual explanations. DISCOVER preserves the original DCE objective and certification while replacing gradient descent with a sparse propose-and-select search paradigm. It exploits a sample-wise decomposition of the transport objective to compute per-row impact scores and enforce a top-$k$ intervention budget, focusing edits on the most influential samples. To guide candidate generation without predictor gradients, DISCOVER introduces an OT-guided cone sampling primitive driven by input-side transport geometry. Experiments on multiple tabular datasets demonstrate strong joint alignment of input and output distributions, extending distributional counterfactual reasoning to modern black box learning pipelines. A code repository is available at https://github.com/understanding-ml/DCE.
Authors: Rishaank Gupta
Abstract: Large language model compression has made substantial progress through pruning, quantization, and low-rank decomposition, yet a fundamental limitation persists across all existing methods: compression budgets are allocated without any representation of what individual model components functionally encode. We term this the capability-blind compression problem and argue it is a root cause of two well-documented failures -- the insensitivity of perplexity-based evaluation to reasoning capability loss, and the abrupt phase transitions in model performance recently characterized by Ma et al. (2026). We propose Capability-Guided Compression (CGC), a framework that addresses this by using Sparse Autoencoder (SAE)-derived capability density maps to allocate differential compression budgets across transformer components. Capability density is a formally defined scalar measure combining the feature breadth, activation entropy, and cross-input consistency of a component's SAE feature activation distribution. We prove theoretically that components with higher capability density exhibit lower structural redundancy and reach their individual phase transition points at lower compression ratios, providing the first pre-compression mechanism for component-level phase transition prediction. Experiments on GPT-2 Medium confirm that capability density is statistically independent of Wanda importance scores (Spearman rho = -0.054, n = 384 heads), establishing it as a genuinely novel compression signal orthogonal to all existing importance metrics. We report a negative result on PPL-based compression comparison and provide a principled diagnosis identifying GPT-2 Medium as an insufficient test bed for the full CGC hypothesis. The theoretical framework, density formalism, and orthogonality finding constitute a foundation for capability-aware compression research.
Authors: Amon Lahr, Anna Scampicchio, Johannes K\"ohler, Melanie N. Zeilinger
Abstract: Non-conservative uncertainty bounds are essential for making reliable predictions about latent functions from noisy data--and thus, a key enabler for safe learning-based control. In this domain, kernel methods such as Gaussian process regression are established techniques, thanks to their inherent uncertainty quantification mechanism. Still, existing bounds either pose strong assumptions on the underlying noise distribution, are conservative, do not scale well in the multi-output case, or are difficult to integrate into downstream tasks. This paper addresses these limitations by presenting a tight, distribution-free bound for multi-output kernel-based estimates. It is obtained through an unconstrained, duality-based formulation, which shares the same structure of classic Gaussian process confidence bounds and can thus be straightforwardly integrated into downstream optimization pipelines. We show that the proposed bound generalizes many existing results and illustrate its application using an example inspired by quadrotor dynamics learning.
Authors: Subina Khanal, Seshu Tirupathi, Merim Dzaferagic, Marco Ruffini, Torben Bach Pedersen
Abstract: Time series foundation models (TSFMs) require diverse, real-world datasets to adapt across varying domains and temporal frequencies. However, current large-scale datasets predominantly focus on low-frequency time series with sampling intervals, i.e., time resolution, in the range of seconds to years, hindering their ability to capture the nuances of high-frequency time series data. To address this limitation, we introduce a novel dataset that captures millisecond-resolution wireless and traffic conditions from an operational 5G wireless deployment, expanding the scope of TSFMs to incorporate high-frequency data for pre-training. Further, the dataset introduces a new domain, wireless networks, thus complementing existing more general domains like energy and finance. The dataset also provides use cases for short-term forecasting, with prediction horizons spanning from 100 milliseconds (1 step) to 9.6 seconds (96 steps). By benchmarking traditional machine learning models and TSFMs on predictive tasks using this dataset, we demonstrate that most TSFM model configurations perform poorly on this new data distribution in both zero-shot and fine-tuned settings. Our work underscores the importance of incorporating high-frequency datasets during pre-training and forecasting to enhance architectures, fine-tuning strategies, generalization, and robustness of TSFMs in real-world applications.
Authors: Xizhong Yang, Yinan Xia, Huiming Wang, Mofei Song
Abstract: Leveraging the model's internal information as the self-reward signal in Reinforcement Learning (RL) has received extensive attention due to its label-free nature. While prior works have made significant progress in applying the Test-Time Scaling (TTS) strategies to RL, the discrepancy in internal information between test and training remains inadequately addressed. Moreover, Test-Time Training based on voting-based TTS strategies often suffers from reward hacking problems. To address these issues, we propose DistriTTRL, which leverages the distribution prior of the model's confidence during RL to progressively optimize the reward signal, rather than relying solely on single-query rollouts. Additionally, we mitigate the phenomenon of consistent reward hacking caused by the voting-based TTS strategies through diversity-targeted penalties. Benefiting from this training mechanism where model capability and self-reward signals complement each other, and the mitigation of reward hacking, DistriTTRL has achieved significant performance improvements across multiple models and benchmarks.
Authors: Zhenghang Song, Tang Qian, Lu Chen, Yushuai Li, Zhengke Hu, Bingbing Fang, Yumeng Song, Junbo Zhao, Sheng Zhang, Tianyi Li
Abstract: Structured data is foundational to healthcare, finance, e-commerce, and scientific data management. Large structured-data models (LDMs) extend the foundation model paradigm to unify heterogeneous datasets for tasks such as classification, regression, and decision support. However, existing LDMs face major limitations. First, most rely on sample-wise self-attention, whose O(N^2) complexity limits the sample count. Second, linear sequence models often degrade representations due to hidden-state compression and artificial causal bias. Third, synthetic-only pre-training often fails to match real-world distributions. We propose FEAT, a linear-complexity foundation model for extremely large structured data. FEAT introduces a multi-layer dual-axis architecture that replaces quadratic attention with hybrid linear encoding. The architecture combines adaptive-fusion bi-Mamba-2 (AFBM) for local sample dependencies and convolutional gated linear attention (Conv-GLA) for global memory. This design enables linear-complexity cross-sample modeling while preserving expressive representations. To improve robustness, FEAT adopts a hybrid structural causal model pipeline and a stable reconstruction objective. Experiments on 11 real-world datasets show that FEAT consistently outperforms baselines in zero-shot performance, while scaling linearly and achieving up to 40x faster inference.
Authors: Viktor Stein, Wuchen Li, Gabriele Steidl
Abstract: Transformers owe much of their empirical success in natural language processing to the self-attention blocks. Recent perspectives interpret attention blocks as interacting particle systems, whose mean-field limits correspond to gradient flows of interaction energy functionals on probability density spaces equipped with Wasserstein-$2$-type metrics. We extend this viewpoint by introducing accelerated attention blocks derived from inertial Nesterov-type dynamics on density spaces. In our proposed architecture, tokens carry both spatial (feature) and velocity variables. The time discretization and the approximation of accelerated density dynamics yield Hamiltonian momentum attention blocks, which constitute the proposed accelerated attention architectures. In particular, for linear self-attention, we show that the attention blocks approximate a Stein variational gradient flow, using a bilinear kernel, of a potential energy. In this setting, we prove that elliptically contoured probability distributions are preserved by the accelerated attention blocks. We present implementable particle-based algorithms and demonstrate that the proposed accelerated attention blocks converge faster than the classical attention blocks while preserving the number of oracle calls.
Authors: Laurent Cheret, Vincent L\'etourneau, Isar Nejadgholi, Chris Drummond, Hussein Al Osman, Maia Fraser
Abstract: We study a simple unsupervised regularization scheme for autoencoders called Manifold-Matching (MMAE): we align the pairwise distances in the latent space to those of the input data space by minimizing mean squared error. Because alignment occurs on pairwise distances rather than coordinates, it can also be extended to a lower-dimensional representation of the data, adding flexibility to the method. We find that this regularization outperforms similar methods on metrics based on preservation of nearest-neighbor distances and persistent homology-based measures. We also observe that MMAE provides a scalable approximation of Multi-Dimensional Scaling (MDS).
Authors: Hangting Ye, Peng Wang, Wei Fan, Xiaozhuang Song, He Zhao, Dandan Gun, Yi Chang
Abstract: Tabular data have been playing a mostly important role in diverse real-world fields, such as healthcare, engineering, finance, etc. The recent success of deep learning has fostered many deep networks (e.g., Transformer, ResNet) based tabular learning methods. Generally, existing deep tabular machine learning methods are along with the two paradigms, i.e., in-learning and pre-learning. In-learning methods need to train networks from scratch or impose extra constraints to regulate the representations which nonetheless train multiple tasks simultaneously and make learning more difficult, while pre-learning methods design several pretext tasks for pre-training and then conduct task-specific fine-tuning, which however need much extra training effort with prior knowledge. In this paper, we introduce a novel deep Tabular Representation Corrector, TRC, to enhance any trained deep tabular model's representations without altering its parameters in a model-agnostic manner. Specifically, targeting the representation shift and representation redundancy that hinder prediction, we propose two tasks, i.e., (i) Tabular Representation Re-estimation, that involves training a shift estimator to calculate the inherent shift of tabular representations to subsequently mitigate it, thereby re-estimating the representations and (ii) Tabular Space Mapping, that transforms the above re-estimated representations into a light-embedding vector space via a coordinate estimator while preserves crucial predictive information to minimize redundancy. The two tasks jointly enhance the representations of deep tabular models without touching on the original models thus enjoying high efficiency. Finally, we conduct extensive experiments on state-of-the-art deep tabular machine learning models coupled with TRC on various tabular benchmarks which have shown consistent superiority.
Authors: Zelin Zhang, Fei Cheng, Chenhui Chu
Abstract: Although outcome-based reinforcement learning (RL) significantly advances the mathematical reasoning capabilities of Large Language Models (LLMs), its reliance on computationally expensive ground-truth annotations imposes a severe scalability bottleneck. Unsupervised RL guided by intrinsic rewards offers a scalable alternative, yet it suffers from opaque training dynamics and catastrophic instability, such as policy collapse and reward hacking. In this paper, we first design and evaluate a suite of intrinsic rewards that explicitly enforce concise and certain generation. Second, to discover the boundaries of this approach, we test base models across a spectrum of intrinsic reasoning capabilities, revealing how a model's foundational logical prior dictates its success or failure. Finally, to demystify why certain configurations stabilize while others collapse, we introduce a novel geometric diagnostic lens, showing that successful cases are enveloped by manifolds. Ultimately, our work goes beyond merely demonstrating that enforcing concise and certain responses successfully boosts mathematical reasoning; we reveal when this unsupervised approach breaks down and geometrically diagnose why.
Authors: Joe Standridge, Daniel Livescu, Paul Cizmas
Abstract: Stiff dynamical systems present a challenge for machine-learning reduced-order models (ML-ROMs), as explicit time integration becomes unstable in stiff regimes while implicit integration within learning loops is computationally expensive and often degrades training efficiency. Time reparameterization (TR) offers an alternative by transforming the independent variable so that rapid physical-time transients are spread over a stretched-time coordinate, enabling stable explicit integration on uniformly sampled grids. Although several TR strategies have been proposed, their effect on learnability in ML-ROMs remains incompletely understood. This work investigates time reparameterization as a stiffness-mitigation mechanism for neural ODE reduced-order modeling and introduces a trajectory-optimized TR (TOTR) formulation. The proposed approach casts time reparameterization as an optimization problem in arc-length coordinates, in which a traversal-speed profile is selected to penalize acceleration in stretched time. By targeting the smoothness of the training dynamics, this formulation produces reparameterized trajectories that are better conditioned and easier to learn than existing TR methods. TOTR is evaluated on three stiff problems: a parameterized stiff linear system, the van der Pol oscillator, and the HIRES chemical kinetics model. Across all cases, the proposed approach yields smoother reparameterizations and improved physical-time predictions under identical training regimens than other TR approaches. Quantitative results demonstrate loss reductions of one to two orders of magnitude compared to benchmark algorithms. These results highlight that effective stiffness mitigation in ML-ROMs depends critically on the regularity and learnability of the time map itself, and that optimization-based TR provides a robust framework for explicit reduced-order modeling of multiscale dynamical systems.
Authors: Bernardo Williams, Harsha Vardhan Tetali, Arto Klami, Marcelo Hartmann
Abstract: We propose a conjugate and calibrated Gaussian process (GP) model for multi-class classification by exploiting the geometry of the probability simplex. Our approach uses Aitchison geometry to map simplex-valued class probabilities to an unconstrained Euclidean representation, turning classification into a GP regression problem with fewer latent dimensions than standard multi-class GP classifiers. This yields conjugate inference and reliable predictive probabilities without relying on distributional approximations in the model construction. The method is compatible with standard sparse GP regression techniques, enabling scalable inference on larger datasets. Empirical results show well-calibrated and competitive performance across synthetic and real-world datasets.
Authors: Gregor Kornhardt, Jannis Chemseddine, Christian Wald, Gabriele Steidl
Abstract: Standard masked discrete diffusion models face limitations in reasoning tasks due to their inability to correct their own mistakes on the masking path. Since they rely on a fixed number of denoising steps, they are unable to adjust their computation to the complexity of a given problem. To address these limitations, we introduce a method based on learning a Markov transition kernel that is trained on its own outputs. This design enables tokens to be remasked, allowing the model to correct its previous mistakes. Furthermore, we do not need a fixed time schedule but use a trained stopping criterion. This allows for adaptation of the number of function evaluations to the difficulty of the reasoning problem. Our adaptation adds two lightweight prediction heads, enabling reuse and fine-tuning of existing pretrained models. On the Sudoku-Extreme dataset we clearly outperform other flow based methods with a validity of 95%. For the Countdown-4 we only need in average of 10 steps to solve almost 96% of them correctly, while many problems can be solved already in 2 steps.
Authors: Sasha Brenner, Thomas R. Kn\"osche, Nico Scherf
Abstract: Next-token predictors often appear to develop internal representations of the latent world and its rules. The probabilistic nature of these models suggests a deep connection between the structure of the world and the geometry of probability distributions. In order to understand this link more precisely, we use a minimal stochastic process as a controlled setting: constrained random walks on a two-dimensional lattice that must reach a fixed endpoint after a predetermined number of steps. Optimal prediction of this process solely depends on a sufficient vector determined by the walker's position relative to the target and the remaining time horizon; in other words, the probability distributions are parametrized by the world's geometry. We train decoder-only transformers on prefixes sampled from the exact distribution of these walks and compare their hidden activations to the analytically derived sufficient vectors. Across models and layers, the learned representations align strongly with the ground-truth predictive vectors and are often low-dimensional. This provides a concrete example in which world-model-like representations can be directly traced back to the predictive geometry of the data itself. Although demonstrated in a simplified toy system, the analysis suggests that geometric representations supporting optimal prediction may provide a useful lens for studying how neural networks internalize grammatical and other structural constraints.
Authors: Florian Grivet, Louise Trav\'e-Massuy\`es
Abstract: Outlier detection identifies data points that deviate significantly from expected patterns, revealing anomalies that may require special attention. Incorporating online learning further improves accuracy by continuously updating the model to reflect the most recent data. When employing the Christoffel function as an outlier score, online learning requires updating the inverse of a matrix following a rank-k update, given the initial inverse. Surprisingly, there is no consensus on the optimal method for this task. This technical note aims to compare three different updating methods: Direct Inversion (DI), Iterative Sherman-Morrison (ISM), and Woodbury Matrix Identity (WMI), to identify the most suitable approach for different scenarios. We first derive the theoretical computational costs of each method and then validate these findings through comprehensive Python simulations run on a CPU. These results allow us to propose a simple, quantitative, and easy-to-remember rule that can be stated qualitatively as follows: ISM is optimal for rank-1 updates, WMI excels for small updates relative to matrix size, and DI is preferable otherwise. This technical note produces a general result for any problem involving a matrix inversion update. In particular, it contributes to the ongoing development of efficient online outlier detection techniques.
Authors: Aaron Zweig, Mingxuan Zhang, David A. Knowles, Elham Azizi
Abstract: Trajectory inference investigates how to interpolate paths between observed timepoints of dynamical systems, such as temporally resolved population distributions, with the goal of inferring trajectories at unseen times and better understanding system dynamics. Previous work has focused on continuous geometric priors, utilizing data-dependent spatial features to define a Riemannian metric. In many applications, there exists discrete, directed prior knowledge over admissible transitions (e.g. lineage trees in developmental biology). We introduce a Finsler metric that combines geometry with classification and incorporate both types of priors in trajectory inference, yielding improved performance on interpolation tasks in synthetic and real-world data.
Authors: Utkarsh Pratiush, Kamyar Barakati, Boris N. Slautin, Catherine C. Bodinger, Christopher D. Lowe, Brandi M. Cossairt, Sergei V. Kalinin
Abstract: Modern automated microscopy faces a fundamental discovery challenge: in many systems, the most important scientific information does not reside in the immediately visible image features, but in the target space of sequentially acquired spectra or functional responses, making it essential to develop strategies that can actively search for new behaviors rather than simply optimize known objectives. Here, we developed a deep-kernel-learning BEACON framework that is explicitly designed to guide discovery in the target space by learning structure-property relationships during the experiment and using that evolving model to seek diverse response regimes. We first established the method through demonstration workflows built on pre-acquired ground-truth datasets, which enabled direct benchmarking against classical acquisition strategies and allowed us to define a set of monitoring functions for comparing exploration quality, target-space coverage, and surrogate-model behavior in a transparent and reproducible manner. This benchmarking framework provides a practical basis for evaluating discovery-driven algorithms, not just optimization performance. We then operationalized and deployed the workflow on STEM, showing that the approach can transition from offline validation to real experimental implementation. To support adoption and extension by the broader community, the associated notebooks are available, allowing users to reproduce the workflows, test the benchmarks, and adapt the method to their own instruments and datasets.
Authors: Yuanfang Ren, Varun Sai Vemuri, Zhenhong Hu, Benjamin Shickel, Ziyuan Guan, Tyler J. Loftus, Parisa Rashidi, Tezcan Ozrazgat-Baslanti, Azra Bihorac
Abstract: Background: This study aims to develop and validate federated learning models for predicting major postoperative complications and mortality using a large multicenter dataset from the OneFlorida Data Trust. We hypothesize that federated learning models will offer robust generalizability while preserving data privacy and security. Methods: This retrospective, longitudinal, multicenter cohort study included 358,644 adult patients admitted to five healthcare institutions, who underwent 494,163 inpatient major surgical procedures from 2012-2023. We developed and internally and externally validated federated learning models to predict the postoperative risk of intensive care unit (ICU) admission, mechanical ventilation (MV) therapy, acute kidney injury (AKI), and in-hospital mortality. These models were compared with local models trained on data from a single center and central models trained on a pooled dataset from all centers. Performance was primarily evaluated using area under the receiver operating characteristics curve (AUROC) and the area under the precision-recall curve (AUPRC) values. Results: Our federated learning models demonstrated strong predictive performance, with AUROC scores consistently comparable or superior performance in terms of AUROC and AUPRC across all outcomes and sites. Our federated learning models also demonstrated strong generalizability, with comparable or superior performance in terms of both AUROC and AUPRC compared to the best local learning model at each site. Conclusions: By leveraging multicenter data, we developed robust, generalizable, and privacy-preserving predictive models for major postoperative complications and mortality. These findings support the feasibility of federated learning in clinical decision support systems.
Authors: Robert Welch, Emir Konuk, Kevin Smith
Abstract: Vision-language models (VLMs) are increasingly deployed in high-stakes settings where reliable uncertainty quantification (UQ) is as important as predictive accuracy. Extended reasoning via chain-of-thought (CoT) prompting or reasoning-trained models has become ubiquitous in modern VLM pipelines, yet its effect on UQ reliability remains poorly understood. We show that reasoning consistently degrades the quality of most uncertainty estimates, even when it improves task accuracy. We identify implicit answer conditioning as the primary mechanism: as reasoning traces converge on a conclusion before the final answer is generated, token probabilities increasingly reflect consistency with the model's own reasoning trace rather than uncertainty about correctness. In effect, the model becomes overconfident in its answer. In contrast, agreement-based consistency remains robust and often improves under reasoning, making it a practical choice for uncertainty estimation in reasoning-enabled VLMs.
Authors: Jia Ming Li, Anupriya, Daniel J. Graham
Abstract: Benchmarking the performance of complex systems such as rail networks, renewable generation assets and national economies is central to transport planning, regulation and macroeconomic analysis. Classical frontier methods, notably Data Envelopment Analysis (DEA) and Stochastic Frontier Analysis (SFA), estimate an efficient frontier in the observed input-output space and define efficiency as distance to this frontier, but rely on restrictive assumptions on the production set and only indirectly address heterogeneity and scale effects. We propose Geometric Manifold Analysis (GeMA), a latent manifold frontier framework implemented via a productivity-manifold variational autoencoder (ProMan-VAE). Instead of specifying a frontier function in the observed space, GeMA represents the production set as the boundary of a low-dimensional manifold embedded in the joint input-output space. A split-head encoder learns latent variables that capture technological structure and operational inefficiency. Efficiency is evaluated with respect to the learned manifold, endogenous peer groups arise as clusters in latent technology space, a quotient construction supports scale-invariant benchmarking, and a local certification radius, derived from the decoder Jacobian and a Lipschitz bound, quantifies the geometric robustness of efficiency scores. We validate GeMA on synthetic data with non-convex frontiers, heterogeneous technologies and scale bias, and on four real-world case studies: global urban rail systems (COMET), British rail operators (ORR), national economies (Penn World Table) and a high-frequency wind-farm dataset. Across these domains GeMA behaves comparably to established methods when classical assumptions hold, and provides additional insight in settings with pronounced heterogeneity, non-convexity or size-related bias.
Authors: Kristi Topollai, Anna Choromanska
Abstract: Quantizing optimizer states is becoming an important ingredient of memory-efficient large-scale pre-training, but the resulting optimizer dynamics remain only partially understood. We study low-precision exponential moving average (EMA) optimizer states and show how quantization can cause many nominal updates to round back to the same stored value, making the state effectively stale and slowing adaptation beyond what the nominal decay would suggest. We then develop a simple predictive model of stalling that estimates one-step stalling probabilities and characterizes how stalling builds up over time after the initialization. This perspective provides a mechanistic explanation for why optimizer-state resets help in low precision: once a quantized EMA becomes effectively stale, resetting it can temporarily restore responsiveness. Motivated by this picture, we derive a simple theory-guided method for choosing useful reset periods, showing that in low precision the key question is not only whether resets help, but when they should be applied. Experiments in controlled simulations and LLM pre-training show that suitable reset schedules recover the performance lost to low-precision state storage while substantially reducing optimizer-state memory.
Authors: D. Darankoum, C. Habermacher, J. Volle, S. Grudinin
Abstract: Decoding the orchestration of neural activity in electroencephalography (EEG) signals is a central challenge in bridging neuroscience with artificial intelligence. Foundation models have made strides in generalized EEG decoding, yet many existing frameworks primarily relying on separate temporal and spectral masking of raw signals during self-supervised pretraining. Such strategies often tend to bias learning toward high-frequency oscillations, as low-frequency rhythmic patterns can be easily inferred from the unmasked signal. We introduce a foundation model that utilizes a novel Gaussian-smoothed masking scheme applied to short-time Fourier transform (STFT) maps. By jointly applying time, frequency, and time-frequency Gaussian masks, we make the reconstruction task much more challenging, forcing the model to learn intricate neural patterns across both high- and low-frequency domains. To effectively recover signals under this aggressive masking strategy, we design SpecHi-Net, a U-shaped hierarchical architecture with multiple encoding and decoding stages. To accelerate large-scale pretraining, we partition the data into three subsets, each used to train an independent expert model. We then combine these models through SpecMoE, a mixture of experts framework guided by a learned spectral gating mechanism. SpecMoE achieves state-of-the-art performance across a diverse set of EEG decoding tasks, including sleep staging, emotion recognition, motor imagery classification, abnormal signal detection, and drug effect prediction. Importantly, the model demonstrates strong cross-species and cross-subject generalization, maintaining high accuracy on both human and murine EEG datasets.
Authors: Christian A. Kothe, Sean Mullen, Michael V. Bronstein, Grant Hanada, Marcelo Cicconet, Aaron N. McInnes, Tim Mullen, Marc Aafjes, Scott R. Sponheim, Alik S. Widge
Abstract: Objective. We establish a principled method for inferring mental health related psychometric variables from neural and behavioral data using the Implicit Association Test (IAT) as the data generation engine, aiming to overcome the limited predictive performance (typically under 0.7 AUC) of the gold-standard D-score method, which relies solely on reaction times. Approach. We propose a sparse hierarchical Bayesian model that leverages multi-modal data to predict experiences related to mental illness symptoms in new participants. The model is a multivariate generalization of the D-score with trainable parameters, engineered for parameter efficiency in the small-cohort regime typical of IAT studies. Data from two IAT variants were analyzed: a suicidality-related E-IAT ($n=39$) and a psychosis-related PSY-IAT ($n=34$). Main Results. Our approach overcomes a high inter-individual variability and low within-session effect size in the dataset, reaching AUCs of 0.73 (E-IAT) and 0.76 (PSY-IAT) in the best modality configurations, though corrected 95% confidence intervals are wide ($\pm 0.18$) and results are marginally significant after FDR correction ($q=0.10$). Restricting the E-IAT to MDD participants improves AUC to 0.79 $[0.62, 0.97]$ (significant at $q=0.05$). Performance is on par with the best reference methods (shrinkage LDA and EEGNet) for each task, even when the latter were adapted to the task, while the proposed method was not. Accuracy was substantially above near-chance D-scores (0.50-0.53 AUC) in both tasks, with more consistent cross-task performance than any single reference method. Significance. Our framework shows promise for enhancing IAT-based assessment of experiences related to entrapment and psychosis, and potentially other mental health conditions, though further validation on larger and independent cohorts will be needed to establish clinical utility.
Authors: Wei Min Loh, Sajib Kumer Sinha, Ankur Agarwal, Pascal Poupart
Abstract: Contextual bandits are incredibly useful in many practical problems. We go one step further by devising a more realistic problem that combines: (1) contextual bandits with dense arm features, (2) non-linear reward functions, and (3) a generalization of correlated bandits where reward distributions change over time but the degree of correlation maintains. This formulation lends itself to a wider set of applications such as recommendation tasks. To solve this problem, we introduce conditionally coupled contextual C3 Thompson sampling for Bernoulli bandits. It combines an improved Nadaraya-Watson estimator on an embedding space with Thompson sampling that allows online learning without retraining. Empirical results show that C3 outperforms the next best algorithm by 5.7% lower average cumulative regret on four OpenML tabular datasets as well as demonstrating a 12.4% click lift on Microsoft News Dataset (MIND) compared to other algorithms.
Authors: Amirhossein Mollaali, Bongseok Kim, Christian Moya, Guang Lin
Abstract: Generalizing across disparate physical laws remains a fundamental challenge for artificial intelligence in science. Existing deep-learning solvers are largely confined to single-equation settings, limiting transfer across physical regimes and inference tasks. Here we introduce pADAM, a unified generative framework that learns a shared probabilistic prior across heterogeneous partial differential equation families. Through a learned joint distribution of system states and, where applicable, physical parameters, pADAM supports forward prediction and inverse inference within a single architecture without retraining. Across benchmarks ranging from scalar diffusion to nonlinear Navier--Stokes equations, pADAM achieves accurate inference even under sparse observations. Combined with conformal prediction, it also provides reliable uncertainty quantification with coverage guarantees. In addition, pADAM performs probabilistic model selection from only two sparse snapshots, identifying governing laws through its learned generative representation. These results highlight the potential of generative multi-physics modeling for unified and uncertainty-aware scientific inference.
Authors: Yibo Li, Qiongxiu Li
Abstract: Gradient inversion attacks reveal that private training text can be reconstructed from shared gradients, posing a privacy risk to large language models (LLMs). While prior methods perform well in small-batch settings, scaling to larger batch sizes and longer sequences remains challenging due to severe signal mixing, high computational cost, and degraded fidelity. We present SOMP (Subspace-Guided Orthogonal Matching Pursuit), a scalable gradient inversion framework that casts text recovery from aggregated gradients as a sparse signal recovery problem. Our key insight is that aggregated transformer gradients retain exploitable head-wise geometric structure together with sample-level sparsity. SOMP leverages these properties to progressively narrow the search space and disentangle mixed signals without exhaustive search. Experiments across multiple LLM families, model scales, and five languages show that SOMP consistently outperforms prior methods in the aggregated-gradient regime.For long sequences at batch size B=16, SOMP achieves substantially higher reconstruction fidelity than strong baselines, while remaining computationally competitive. Even under extreme aggregation (up to B=128), SOMP still recovers meaningful text, suggesting that privacy leakage can persist in regimes where prior attacks become much less effective.
Authors: Nora Schneider, Georg Manten, Niki Kilbertus
Abstract: We develop a conservative continuous-time stochastic control framework for treatment optimization from irregularly sampled patient trajectories. The unknown patient dynamics are modeled as a controlled stochastic differential equation with treatment as a continuous-time control. Naive model-based optimization can exploit model errors and propose out-of-support controls, so optimizing the estimated dynamics may not optimize the true dynamics. To limit extrapolation, we add a consistent signature-based MMD regularizer on path space that penalizes treatment plans whose induced trajectory distribution deviates from observed trajectories. The resulting objective minimizes a computable upper bound on the true cost. Experiments on benchmark datasets show improved robustness and performance compared to non-conservative baselines.
Authors: Christian Belardi, Justin Lovelace, Kilian Q. Weinberger, Carla P. Gomes
Abstract: Guided diffusion sampling relies on approximating often intractable likelihood scores, which introduces significant noise into the sampling dynamics. We propose using adaptive moment estimation to stabilize these noisy likelihood scores during sampling. Despite its simplicity, our approach achieves state-of-the-art results on image restoration and class-conditional generation tasks, outperforming more complicated methods, which are often computationally more expensive. We provide empirical analysis of our method on both synthetic and real data, demonstrating that mitigating gradient noise through adaptive moments offers an effective way to improve alignment.
Authors: Ilias Diakonikolas, Daniel M. Kane, Thanasis Pittas
Abstract: We study mean estimation for a Gaussian distribution with identity covariance in $\mathbb{R}^d$ under a missing data scheme termed realizable $\epsilon$-contamination model. In this model an adversary can choose a function $r(x)$ between 0 and $\epsilon$ and each sample $x$ goes missing with probability $r(x)$. Recent work Ma et al., 2024 proposed this model as an intermediate-strength setting between Missing Completely At Random (MCAR) -- where missingness is independent of the data -- and Missing Not At Random (MNAR) -- where missingness may depend arbitrarily on the sample values and can lead to non-identifiability issues. That work established information-theoretic upper and lower bounds for mean estimation in the realizable contamination model. Their proposed estimators incur runtime exponential in the dimension, leaving open the possibility of computationally efficient algorithms in high dimensions. In this work, we establish an information-computation gap in the Statistical Query model (and, as a corollary, for Low-Degree Polynomials and PTF tests), showing that algorithms must either use substantially more samples than information-theoretically necessary or incur exponential runtime. We complement our SQ lower bound with an algorithm whose sample-time tradeoff nearly matches our lower bound. Together, these results qualitatively characterize the complexity of Gaussian mean estimation under $\epsilon$-realizable contamination.
Authors: Yixuan Huang, Jiawei Chen, Shengfan Zhang, Zongsheng Cao
Abstract: Collaborative filtering (CF) recommendation has been significantly advanced by integrating Graph Neural Networks (GNNs) and Graph Contrastive Learning (GCL). However, (i) random edge perturbations often distort critical structural signals and degrade semantic consistency across augmented views, and (ii) data sparsity hampers the propagation of collaborative signals, limiting generalization. To tackle these challenges, we propose RaDAR (Relation-aware Diffusion-Asymmetric Graph Contrastive Learning Framework for Recommendation Systems), a novel framework that combines two complementary view generation mechanisms: a graph generative model to capture global structure and a relation-aware denoising model to refine noisy edges. RaDAR introduces three key innovations: (1) asymmetric contrastive learning with global negative sampling to maintain semantic alignment while suppressing noise; (2) diffusion-guided augmentation, which employs progressive noise injection and denoising for enhanced robustness; and (3) relation-aware edge refinement, dynamically adjusting edge weights based on latent node semantics. Extensive experiments on three public benchmarks demonstrate that RaDAR consistently outperforms state-of-the-art methods, particularly under noisy and sparse conditions.
Authors: Jello Zhou, Vudtiwat Ngampruetikorn, David J. Schwab
Abstract: Stochastic resetting, where a dynamical process is intermittently returned to a fixed reference state, has emerged as a powerful mechanism for optimizing first-passage properties. Existing theory largely treats static, non-learning processes. Here we ask how stochastic resetting interacts with reinforcement learning, where the underlying dynamics adapt through experience. In tabular grid environments, we find that resetting accelerates policy convergence even when it does not reduce the search time of a purely diffusive agent, indicating a novel mechanism beyond classical first-passage optimization. In a continuous control task with neural-network-based value approximation, we show that random resetting improves deep reinforcement learning when exploration is difficult and rewards are sparse. Unlike temporal discounting, resetting preserves the optimal policy while accelerating convergence by truncating long, uninformative trajectories to enhance value propagation. Our results establish stochastic resetting as a simple, tunable mechanism for accelerating learning, translating a canonical phenomenon of statistical mechanics into an optimization principle for reinforcement learning.
Authors: Reek Das, Biplab Kanti Sen
Abstract: Federated Learning (FL) is increasingly applied in sectors like healthcare, finance, and IoT, enabling collaborative model training while safeguarding user privacy. However, FL systems are susceptible to Byzantine adversaries that inject malicious updates, which can severely compromise global model performance. Existing defenses tend to focus on specific attack types and fail against untargeted strategies, such as multi-label flipping or combinations of noise and backdoor patterns. To overcome these limitations, we propose FedAOT-a novel defense mechanism that counters multi-label flipping and untargeted poisoning attacks using a metalearning-inspired adaptive aggregation framework. FedAOT dynamically weights client updates based on their reliability, suppressing adversarial influence without relying on predefined thresholds or restrictive attack assumptions. Notably, FedAOT generalizes effectively across diverse datasets and a wide range of attack types, maintaining robust performance even in previously unseen scenarios. Experimental results demonstrate that FedAOT substantially improves model accuracy and resilience while maintaining computational efficiency, offering a scalable and practical solution for secure federated learning.
Authors: Mattia Rigotti, Nicholas Thumiger, Thomas Frick
Abstract: Adapting transformer positional encoding to meshes and graph-structured data presents significant computational challenges: exact spectral methods require cubic-complexity eigendecomposition and can inadvertently break gauge invariance through numerical solver artifacts, while efficient approximate methods sacrifice gauge symmetry by design. Both failure modes cause catastrophic generalization in inductive learning, where models trained with one set of numerical choices fail when encountering different spectral decompositions of similar graphs or discretizations of the same mesh. We propose GIST (Gauge-Invariant Spectral Transformers), a new graph transformer architecture that resolves this challenge by achieving end-to-end $\mathcal{O}(N)$ complexity through random projections while algorithmically preserving gauge invariance via inner-product-based attention on the projected embeddings. We prove GIST achieves discretization-invariant learning with bounded mismatch error, enabling parameter transfer across arbitrary mesh resolutions for neural operator applications. Empirically, GIST matches state-of-the-art on standard graph benchmarks (e.g., achieving 99.50% micro-F1 on PPI) while uniquely scaling to mesh-based Neural Operator benchmarks with up to 750K nodes, achieving state-of-the-art aerodynamic prediction on the challenging DrivAerNet and DrivAerNet++ datasets.
Authors: Mayur Patil, Qadeer Ahmed, Shawn Midlam-Mohler, Stephanie Marik, Allen Sheldon, Rajeev Chhajer, Nithin Santhanam
Abstract: Reliable multi-horizon traffic forecasting is challenging because network conditions are stochastic, incident disruptions are intermittent, and effective spatial dependencies vary across time-of-day patterns. This study is conducted on the Ohio Department of Transportation (ODOT) traffic count data and corresponding ODOT crash records. This work utilizes a Spatio-Temporal Transformer (STT) model with Adaptive Conformal Prediction (ACP) to produce multi-horizon forecasts with calibrated uncertainty. We propose a piecewise Coefficient of Variation (CV) strategy that models hour-to-hour traveltime variability using a log-normal distribution, enabling the construction of a per-hour dynamic adjacency matrix. We further perturb edge weights using incident-related severity signals derived from the ODOT crash dataset that comprises incident clearance time, weather conditions, speed violations, work zones, and roadway functional class, to capture localized disruptions and peak/off-peak transitions. This dynamic graph construction replaces a fixed-CV assumption and better represents changing traffic conditions within the forecast window. For validation, we generate extended trips via multi-hour loop runs on the Columbus, Ohio, network in SUMO simulations and apply a Monte Carlo simulation to obtain travel-time distributions for a Vehicle Under Test (VUT). Experiments demonstrate improved long-horizon accuracy and well-calibrated prediction intervals compared to other baseline methods.
Authors: Yelysei Bondarenko, Thomas Hehn, Rob Hesselink, Romain Lepert, Fabio Valerio Massoli, Evgeny Mironov, Leyla Mirvakhabova, Tribhuvanesh Orekondy, Spyridon Stasis, Andrey Kuzmin, Anna Kuzina, Markus Nagel, Ankita Nayak, Corrado Rainone, Ork de Rooij, Paul N Whatmough, Arash Behboodi, Babak Ehteshami Bejnordi
Abstract: Large language models (LLMs) with chain-of-thought reasoning achieve state-of-the-art performance across complex problem-solving tasks, but their verbose reasoning traces and large context requirements make them impractical for edge deployment. These challenges include high token generation costs, large KV-cache footprints, and inefficiencies when distilling reasoning capabilities into smaller models for mobile devices. Existing approaches often rely on distilling reasoning traces from larger models into smaller models, which are verbose and stylistically redundant, undesirable for on-device inference. In this work, we propose a lightweight approach to enable reasoning in small LLMs using LoRA adapters combined with supervised fine-tuning. We further introduce budget forcing via reinforcement learning on these adapters, significantly reducing response length with minimal accuracy loss. To address memory-bound decoding, we exploit parallel test-time scaling, improving accuracy at minor latency increase. Finally, we present a dynamic adapter-switching mechanism that activates reasoning only when needed and a KV-cache sharing strategy during prompt encoding, reducing time-to-first-token for on-device inference. Experiments on Qwen2.5-7B demonstrate that our method achieves efficient, accurate reasoning under strict resource constraints, making LLM reasoning practical for mobile scenarios. Videos demonstrating our solution running on mobile devices are available on our project page.
Authors: Danny D'Agostino
Abstract: In this work, we present a new deterministic partition-based global optimization algorithm, HALO (Hybrid Adaptive Lipschitzian Optimization), which uses estimates of the local Lipschitz constants associated with different sub-regions of the objective function's domain to compute lower bounds and guide the search toward global minimizers. These estimates are obtained by adaptively balancing the global and local information collected from the algorithm, based on absolute slopes. HALO is hyperparameter-free, eliminating the need for manual tuning, and it highlights the most important variables to help interpret the optimization problem. We also introduce a coupling strategy with local optimization algorithms, both gradient-based and derivative-free, to accelerate convergence. We compare HALO with popular global optimization algorithms on hundreds of test functions. The numerical results are very promising and demonstrate that HALO can expand our arsenal of efficient procedures of efficient procedures for challenging real-world black-box optimization problems. The Python code of HALO is publicly available on GitHub. https://github.com/dannyzx/HALO
Authors: Zeyu Zhang, Rui Li, Xiaoyan Zhao, Yang Zhang, Wenjie Wang, Xu Chen, Tat-Seng Chua
Abstract: Memory is critical for LLM-based agents to preserve past observations for future decision-making, where factual memory serves as its foundational part. However, existing approaches to constructing factual memory face several limitations. Textual methods impose heavy context and indexing burdens, while parametric methods suffer from catastrophic forgetting and high costs. To address these challenges, we introduce NextMem, a latent factual memory framework that utilizes an autoregressive autoencoder to efficiently construct latent memory while ensuring accurate reconstruction. For better optimization, we propose a two-stage training process, including autoregressive reconstruction alignment and progressive latent substitution. We also incorporate quantization to reduce storage overhead. Extensive experiments demonstrate that NextMem achieves superior performance, and excels in retrieval, robustness, and extensibility properties. We release our code and model checkpoints at https://github.com/nuster1128/NextMem.
Authors: Navid Hakimi
Abstract: Recursive reasoning models such as Hierarchical Reasoning Model (HRM) and Tiny Recursive Model (TRM) show that small, weight-shared networks can solve compute-heavy and NP puzzles by iteratively refining latent states, but their training typically relies on deep supervision and/or long unrolls that increase wall-clock cost and can bias the model toward greedy intermediate behavior. We introduce Recursive Stem Model (RSM), a recursive reasoning approach that keeps the TRM-style backbone while changing the training contract so the network learns a stable, depth-agnostic transition operator. RSM fully detaches the hidden-state history during training, treats early iterations as detached "warm-up" steps, and applies loss only at the final step. We further grow the outer recursion depth $H$ and inner compute depth $L$ independently and use a stochastic outer-transition scheme (stochastic depth over $H$) to mitigate instability when increasing depth. This yields two key capabilities: (i) $>20\times$ faster training than TRM while improving accuracy ($\approx 5\times$ reduction in error rate), and (ii) test-time scaling where inference can run for arbitrarily many refinement steps ($\sim 20,000 H_{\text{test}} \gg 20 H_{\text{train}}$), enabling additional "thinking" without retraining. On Sudoku-Extreme, RSM reaches 97.5% exact accuracy with test-time compute (within ~1 hour of training on a single A100), and on Maze-Hard ($30 \times 30$) it reaches ~80% exact accuracy in ~40 minutes using attention-based instantiation. Finally, because RSM implements an iterative settling process, convergence behavior provides a simple, architecture-native reliability signal: non-settling trajectories warn that the model has not reached a viable solution and can be a guard against hallucination, while stable fixed points can be paired with domain verifiers for practical correctness checks.
Authors: Arbish Akram, Nazar Khan, Arif Mahmood
Abstract: Facial expression synthesis aims to generate realistic facial expressions while preserving identity. Existing conditional generative adversarial networks (GANs) achieve excellent image-to-image translation results, but their performance often degrades when test images differ from the training dataset. We present Regression GAN (RegGAN), a model that learns an intermediate representation to improve generalization beyond the training distribution. RegGAN consists of two components: a regression layer with local receptive fields that learns expression details by minimizing the reconstruction error through a ridge regression loss, and a refinement network trained adversarially to enhance the realism of generated images. We train RegGAN on the CFEE dataset and evaluate its generalization performance both on CFEE and challenging out-of-distribution images, including celebrity photos, portraits, statues, and avatar renderings. For evaluation, we employ four widely used metrics: Expression Classification Score (ECS) for expression quality, Face Similarity Score (FSS) for identity preservation, QualiCLIP for perceptual realism, and Fr\'echet Inception Distance (FID) for assessing both expression quality and realism. RegGAN outperforms six state-of-the-art models in ECS, FID, and QualiCLIP, while ranking second in FSS. Human evaluations indicate that RegGAN surpasses the best competing model by 25% in expression quality, 26% in identity preservation, and 30% in realism.
Authors: Ferhat Ozgur Catak, Murat Kuzlu, Jungwon Seo, Umit Cali
Abstract: This paper presents a federated learning framework secured by quantum key distribution (QKD) for wireless channel estimation and radar spectrum sensing in the next generation networks (NextG or Beyond 6G). A BB84-style protocol abstraction and pairwise additive masking are utilized to train clients' local models (CNN for channel estimation, U-Net for radar segmentation) and upload only masked model updates. The server aggregates without observing plain parameters; an eavesdropper without QKD keys cannot recover individual updates. Experiments show that secure FL achieves NMSE of 0.216 for channel estimation and 92.1\% accuracy with 0.72 mIoU for radar sensing. When an eavesdropper is present, QBER rises to $\sim$25\% and all rounds abort as intended; reconstruction error remains below $10^{-5}$, confirming correct aggregation.
Authors: Keivan Alizadeh, Parshin Shojaee, Minsik Cho, Mehrdad Farajtabar
Abstract: Long-context handling remains a core challenge for language models: even with extended context windows, models often fail to reliably extract, reason over, and use the information across long contexts. Recent works like Recursive Language Models (RLM) have approached this challenge by agentic way of decomposing long contexts into recursive sub-calls through programmatic interaction at inference. While promising, the success of RLM critically depends on how these context-interaction programs are selected, which has remained largely unexplored. In this paper, we study this problem and introduce SRLM, a framework that augments programmatic context interaction with uncertainty-aware Self-Reflection. SRLM leverages three intrinsic signals: self consistency, reasoning length, and verbalized confidence. These serve as complementary indicators of a model's internal uncertainty, and the model uses them to evaluate and compare candidate context-interaction programs. Extensive experiments across diverse benchmark datasets, context lengths, and backbone models, show that SRLM consistently outperforms state-of-the-art baselines, yielding up to 22% improvement over RLM under the same time budget. Our findings show that recursion itself is not the primary driver of performance in RLM, and a simple self-reflective program search can match or surpass RLM without requiring self-query or explicit recursion mechanisms. We find that for context lengths within the model's window, RLMs with recursion often degrade performance relative to the base model, whereas SRLM yields consistent gains across both short and long contexts. We also find that RLM is less effective in tasks with semantically intensive nature, where heuristic program search is insufficient and broader contextual understanding is required, while self-reflection in SRLM provides a semantic signal that better steers reasoning in these scenarios.
Authors: Jes\'us Israel Mor\'an-Cort\'es, Felipe Pacheco-V\'azquez
Abstract: We introduce an optimized protocol of fracture pattern classification using an artificial neural network to identify the solvent involved in the desiccation cracking process of starch-liquid slurries, even after it has been completely evaporated. For this purpose, image analysis techniques were used to characterize patterns obtained from drying suspensions using single solvents (water, ethanol, acetone) and two-component solvents (water-ethanol mixtures at different concentrations). Frequency histograms were generated based on nine morphological features, taking into account their size, shape, geometry and orientational ordering. Subsequently, we used these histograms as input data into artificial neural network variants to determine the set of features that lead to the higher accuracy in solvent identification. We obtained an average accuracy of $96(\pm 1)\%$ considering all solvents in the analysis. The highest accuracy was obtained with sets of features that include the crack area distribution. The proposed protocol can help to determine the combination of features that optimize pattern recognition in other fields of science and engineering.
Authors: Aliyu Agboola Alege
Abstract: Real-world decision-making, from tax compliance assessment to medical diagnosis, requires aggregating multiple noisy and potentially contradictory evidence sources. Existing approaches either lack explicit uncertainty quantification (neural aggregation methods) or rely on manually engineered discrete predicates (probabilistic logic frameworks), limiting scalability to unstructured data. We introduce Latent Posterior Factors (LPF), a framework that transforms Variational Autoencoder (VAE) latent posteriors into soft likelihood factors for Sum-Product Network (SPN) inference, enabling tractable probabilistic reasoning over unstructured evidence while preserving calibrated uncertainty estimates. We instantiate LPF as LPF-SPN (structured factor-based inference) and LPF-Learned (end-to-end learned aggregation), enabling a principled comparison between explicit probabilistic reasoning and learned aggregation under a shared uncertainty representation. Across eight domains (seven synthetic and the FEVER benchmark), LPF-SPN achieves high accuracy (up to 97.8%), low calibration error (ECE 1.4%), and strong probabilistic fit, substantially outperforming evidential deep learning, LLMs and graph-based baselines over 15 random seeds. Contributions: (1) A framework bridging latent uncertainty representations with structured probabilistic reasoning. (2) Dual architectures enabling controlled comparison of reasoning paradigms. (3) Reproducible training methodology with seed selection. (4) Evaluation against EDL, BERT, R-GCN, and large language model baselines. (5) Cross-domain validation. (6) Formal guarantees in a companion paper.
Authors: Aliyu Agboola Alege
Abstract: We present a complete theoretical characterization of Latent Posterior Factors (LPF), a principled framework for aggregating multiple heterogeneous evidence items in probabilistic prediction tasks. Multi-evidence reasoning arises pervasively in high-stakes domains including healthcare diagnosis, financial risk assessment, legal case analysis, and regulatory compliance, yet existing approaches either lack formal guarantees or fail to handle multi-evidence scenarios architecturally. LPF encodes each evidence item into a Gaussian latent posterior via a variational autoencoder, converting posteriors to soft factors through Monte Carlo marginalization, and aggregating factors via exact Sum-Product Network inference (LPF-SPN) or a learned neural aggregator (LPF-Learned). We prove seven formal guarantees spanning the key desiderata for trustworthy AI: Calibration Preservation (ECE <= epsilon + C/sqrt(K_eff)); Monte Carlo Error decaying as O(1/sqrt(M)); a non-vacuous PAC-Bayes bound with train-test gap of 0.0085 at N=4200; operation within 1.12x of the information-theoretic lower bound; graceful degradation as O(epsilon*delta*sqrt(K)) under corruption, maintaining 88% performance with half of evidence adversarially replaced; O(1/sqrt(K)) calibration decay with R^2=0.849; and exact epistemic-aleatoric uncertainty decomposition with error below 0.002%. All theorems are empirically validated on controlled datasets spanning up to 4,200 training examples. Our theoretical framework establishes LPF as a foundation for trustworthy multi-evidence AI in safety-critical applications.
Authors: Yixin Wang, Ting Gao, Jinqiao Duan
Abstract: We introduce a framework for analyzing topological tipping in time-evolutionary point clouds by extending the recently proposed Topological Optimal Transport (TpOT) distance. While TpOT unifies geometric, homological, and higher-order relations into one metric, its global scalar distance can obscure transient, localized structural reorganizations during dynamic phase transitions. To overcome this limitation, we present a hierarchical dynamic evaluation framework driven by a novel topological and hypergraph reconstruction strategy. Instead of directly interpolating abstract network parameters, our method interpolates the underlying spatial geometry and rigorously recomputes the valid topological structures, ensuring physical fidelity. Along this geodesic, we introduce a set of multi-scale indicators: macroscopic metrics (Topological Distortion and Persistence Entropy) to capture global shifts, and a novel mesoscopic dual-perspective Hypergraph Entropy (node-perspective and edge-perspective) to detect highly sensitive, asynchronous local rewirings. We further propagate the cycle-level entropy change onto individual vertices to form a point-level topological field. Extensive evaluations on physical dynamical systems (Rayleigh-Van der Pol limit cycles, Double-Well cluster fusion), high-dimensional biological aggregation (D'Orsogna model), and longitudinal stroke fMRI data demonstrate the utility of combining transport-based alignment with multi-scale entropy diagnostics for dynamic topological analysis.
Authors: Shaohan Chen, Tim Langhorst, Julian N\"ohl, Christopher Oberschelp, Martin Pillich, Johannes Schilling, Andr\'e Bardow
Abstract: Chemicals are embedded in nearly every aspect of modern society, yet their production poses substantial sustainability concerns. Achieving a sustainable chemical industry requires detailed Life Cycle Assessment (LCA); however, current assessments face many unknowns due to limited, partly inconsistent, and untransparent data coverage since existing Life Cycle Inventory (LCI) databases account for only a tiny fraction of traded chemicals. Here, we introduce the Chemical RetrosYnthesiS for Transparent Assessment of Life-cycles (CRYSTAL) framework, which automatically generates consistent and transparent LCI data for organic chemicals based on their molecular structure using retrosynthesis and machine-learned gate-to-gate inventories. Using the predictive power of CRYSTAL, we create a consistent database for more than 70000 organic chemicals, comprising over 110000 transparent LCI datasets that quantify both feedstock and energy demands, together with associated auxiliary materials, biosphere flows, and waste flows. From this comprehensive database, we identify 50 key environmental hotspots driving high impacts of organic chemical production across multiple environmental categories and pivotal hub chemicals that are most critical for downstream chemical production. In providing this comprehensive data foundation, the CRYSTAL framework offers systematic guidance for targeted engineering and policy interventions. Its transparent, modular nature is designed to shift chemical LCA from a reliance on "unknown unknowns" to a collaboratively improvable mapping of "known unknowns".
Authors: Izzet Turkalp Akbasli, Oguzhan Serin
Abstract: Background: Respiratory diseases are a leading cause of childhood morbidity and mortality, yet lung auscultation remains subjective and limited by inter-listener variability, particularly in pediatric populations. Existing AI approaches are further constrained by small datasets and single-task designs. We developed PulmoVec, a multi-task framework built on the Health Acoustic Representations (HeAR) foundation model for classification of pediatric respiratory sounds. Methods: In this retrospective analysis of the SPRSound database, 24,808 event-level annotated segments from 1,652 pediatric patients were analyzed. Three task-specific classifiers were trained for screening, sound-pattern recognition, and disease-group prediction. Their out-of-fold probability outputs were combined with demographic metadata in a LightGBM stacking meta-model, and event-level predictions were aggregated to the patient level using ensemble voting. Results: At the event level, the screening model achieved an ROC-AUC of 0.96 (95% CI, 0.95-0.97), the sound-pattern recognition model a macro ROC-AUC of 0.96 (95% CI, 0.96-0.97), and the disease-group prediction model a macro ROC-AUC of 0.94 (95% CI, 0.93-0.94). At the patient level, disease-group classification yielded an accuracy of 0.74 (95% CI, 0.71-0.77), a weighted F1-score of 0.73, and a macro ROC-AUC of 0.91 (95% CI, 0.90-0.93). Stacking improved performance across all tasks compared with base models alone. Conclusions: PulmoVec links event-level acoustic phenotyping with patient-level clinical classification, supporting the potential of foundation-model-based digital auscultation in pediatric respiratory medicine. Multi-center external validation across devices and real-world conditions remains essential.
Authors: Ugur Akcal, Seung Hyun Kim, Mikihisa Yuasa, Hamid Osooli, Jiarui Sun, Ribhav Sahu, Mattia Gazzola, Huy T. Tran, Girish Chowdhary
Abstract: Spiking neural networks (SNNs) and biologically-inspired learning mechanisms are attractive in mobile robotics, where the size and performance of onboard neural network policies are constrained by power and computational budgets. Existing SNN approaches, such as population coding, reward modulation, and hybrid artificial neural network (ANN)-SNN architectures, have shown promising results; however, they face challenges in complex, highly stochastic environments due to SNN sensitivity to hyperparameters and inconsistent gradient signals. To address these challenges, we propose simple spiking actor (S2Act), a computationally lightweight framework that deploys an RL policy using an SNN in three steps: (1) architect an actor-critic model based on an approximated network of rate-based spiking neurons, (2) train the network with gradients using compatible activation functions, and (3) transfer the trained weights into physical parameters of rate-based leaky integrate-and-fire (LIF) neurons for inference and deployment. By globally shaping LIF neuron parameters such that their rate-based responses approximate ReLU activations, S2Act effectively mitigates the vanishing gradient problem, while pre-constraining LIF response curves reduces reliance on complex SNN-specific hyperparameter tuning. We demonstrate our method in two multi-agent stochastic environments (capture-the-flag and parking) that capture the complexity of multi-robot interactions, and deploy our trained policies on physical TurtleBot platforms using Intel's Loihi neuromorphic hardware. Our experimental results show that S2Act outperforms relevant baselines in task performance and real-time inference in nearly all considered scenarios, highlighting its potential for rapid prototyping and efficient real-world deployment of SNN-based RL policies.
Authors: MiroMind Team, S. Bai, L. Bing, L. Lei, R. Li, X. Li, X. Lin, E. Min, L. Su, B. Wang, L. Wang, L. Wang, S. Wang, X. Wang, Y. Zhang, Z. Zhang, G. Chen, L. Chen, Z. Cheng, Y. Deng, Z. Huang, D. Ng, J. Ni, Q. Ren, X. Tang, B. L. Wang, H. Wang, N. Wang, C. Wei, Q. Wu, J. Xia, Y. Xiao, H. Xu, X. Xu, C. Xue, Z. Yang, Z. Yang, F. Ye, H. Ye, J. Yu, C. Zhang, W. Zhang, H. Zhao, P. Zhu
Abstract: We present MiroThinker-1.7, a new research agent designed for complex long-horizon reasoning tasks. Building on this foundation, we further introduce MiroThinker-H1, which extends the agent with heavy-duty reasoning capabilities for more reliable multi-step problem solving. In particular, MiroThinker-1.7 improves the reliability of each interaction step through an agentic mid-training stage that emphasizes structured planning, contextual reasoning, and tool interaction. This enables more effective multi-step interaction and sustained reasoning across complex tasks. MiroThinker-H1 further incorporates verification directly into the reasoning process at both local and global levels. Intermediate reasoning decisions can be evaluated and refined during inference, while the overall reasoning trajectory is audited to ensure that final answers are supported by coherent chains of evidence. Across benchmarks covering open-web research, scientific reasoning, and financial analysis, MiroThinker-H1 achieves state-of-the-art performance on deep research tasks while maintaining strong results on specialized domains. We also release MiroThinker-1.7 and MiroThinker-1.7-mini as open-source models, providing competitive research-agent capabilities with significantly improved efficiency.
Authors: Yihao Zhang, Zeming Wei, Xiaokun Luan, Chengcan Wu, Zhixin Zhang, Jiangrong Wu, Haolin Wu, Huanran Chen, Jun Sun, Meng Sun
Abstract: Autonomous LLM-based agents increasingly operate as long-running processes forming densely interconnected multi-agent ecosystems, whose security properties remain largely unexplored. In particular, OpenClaw, an open-source platform with over 40{,}000 active instances, has stood out recently with its persistent configurations, tool-execution privileges, and cross-platform messaging capabilities. In this work, we present ClawWorm, the first self-replicating worm attack against a production-scale agent framework, achieving a fully autonomous infection cycle initiated by a single message: the worm first hijacks the victim's core configuration to establish persistent presence across session restarts, then executes an arbitrary payload upon each reboot, and finally propagates itself to every newly encountered peer without further attacker intervention. We evaluate the attack on a controlled testbed across three distinct infection vectors and three payload types, demonstrating high success rates in end-to-end infection, sustained multi-hop propagation, and payload independence from the worm mechanism. We analyse the architectural root causes underlying these vulnerabilities and propose defence strategies targeting each identified trust boundary. Code and samples will be released upon completion of responsible disclosure.
Authors: Jacob Levy, Tyler Westenbroek, Kevin Huang, Fernando Palafox, Patrick Yin, Shayegan Omidshafiei, Dong-Ki Kim, Abhishek Gupta, David Fridovich-Keil
Abstract: Simulation-to-real transfer remains a central challenge in robotics, as mismatches between simulated and real-world dynamics often lead to failures. While reinforcement learning offers a principled mechanism for adaptation, existing sim-to-real finetuning methods struggle with exploration and long-horizon credit assignment in the low-data regimes typical of real-world robotics. We introduce Simulation Distillation (SimDist), a sim-to-real framework that distills structural priors from a simulator into a latent world model and enables rapid real-world adaptation via online planning and supervised dynamics finetuning. By transferring reward and value models directly from simulation, SimDist provides dense planning signals from raw perception without requiring value learning during deployment. As a result, real-world adaptation reduces to short-horizon system identification, avoiding long-horizon credit assignment and enabling fast, stable improvement. Across precise manipulation and quadruped locomotion tasks, SimDist substantially outperforms prior methods in data efficiency, stability, and final performance. Project website and code: https://sim-dist.github.io/
Authors: Hippolyte Verninas, Caner Korkmaz, Stefanos Zafeiriou, Tolga Birdal, Simone Foti
Abstract: Machine learning has been progressively generalised to operate within non-Euclidean domains, but geometrically accurate methods for learning on surfaces are still falling behind. The lack of closed-form Riemannian operators, the non-differentiability of their discrete counterparts, and poor parallelisation capabilities have been the main obstacles to the development of the field on meshes. A principled framework to compute the exponential map on Riemannian surfaces discretised as meshes is straightest geodesics, which also allows to trace geodesics and parallel-transport vectors as a by-product. We provide a parallel GPU implementation and derive two different methods for differentiating through the straightest geodesics, one leveraging an extrinsic proxy function and one based upon a geodesic finite differences scheme. After proving our parallelisation performance and accuracy, we demonstrate how our differentiable exponential map can improve learning and optimisation pipelines on general geometries. In particular, to showcase the versatility of our method, we propose a new geodesic convolutional layer, a new flow matching method for learning on meshes, and a second-order optimiser that we apply to centroidal Voronoi tessellation. Our code, models, and pip-installable library (digeo) are available at: circle-group.github.io/research/DSG.
Authors: Nicolas A. Errandonea, Santiago Mazuelas, Jose A. Lozano, Sanjoy Dasgupta
Abstract: Prior work on partial labels learning (PLL) has shown that learning is possible even when each instance is associated with a bag of labels, rather than a single accurate but costly label. However, the necessary conditions for learning with partial labels remain unclear, and existing PLL methods are effective only in specific scenarios. In this work, we mathematically characterize the settings in which PLL is feasible. In addition, we present PL A-$k$NN, an adaptive nearest-neighbors algorithm for PLL that is effective in general scenarios and enjoys strong performance guarantees. Experimental results corroborate that PL A-$k$NN can outperform state-of-the-art methods in general PLL scenarios.
Authors: Eadom Dessalene, Botao He, Michael Maynord, Yonatan Tussa, Pavan Mantripragada, Yianni Karabati, Nirupam Roy, Yiannis Aloimonos
Abstract: We introduce FEEL (Force-Enhanced Egocentric Learning), the first large-scale dataset pairing force measurements gathered from custom piezoresistive gloves with egocentric video. Our gloves enable scalable data collection, and FEEL contains approximately 3 million force-synchronized frames of natural unscripted manipulation in kitchen environments, with 45% of frames involving hand-object contact. Because force is the underlying cause that drives physical interaction, it is a critical primitive for physical action understanding. We demonstrate the utility of force for physical action understanding through application of FEEL to two families of tasks: (1) contact understanding, where we jointly perform temporal contact segmentation and pixel-level contacted object segmentation; and, (2) action representation learning, where force prediction serves as a self-supervised pretraining objective for video backbones. We achieve state-of-the-art temporal contact segmentation results and competitive pixel-level segmentation results without any need for manual contacted object segmentation annotations. Furthermore we demonstrate that action representation learning with FEEL improves transfer performance on action understanding tasks without any manual labels over EPIC-Kitchens, SomethingSomething-V2, EgoExo4D and Meccano.
Authors: Pranaya Jajoo, Harshit Sikchi, Siddhant Agarwal, Amy Zhang, Scott Niekum, Martha White
Abstract: Behavioral Foundation Models (BFMs) produce agents with the capability to adapt to any unknown reward or task. These methods, however, are only able to produce near-optimal policies for the reward functions that are in the span of some pre-existing state features, making the choice of state features crucial to the expressivity of the BFM. As a result, BFMs are trained using a variety of complex objectives and require sufficient dataset coverage, to train task-useful spanning features. In this work, we examine the question: are these complex representation learning objectives necessary for zero-shot RL? Specifically, we revisit the objective of self-supervised next-state prediction in latent space for state feature learning, but observe that such an objective alone is prone to increasing state-feature similarity, and subsequently reducing span. We propose an approach, Regularized Latent Dynamics Prediction (RLDP), that adds a simple orthogonality regularization to maintain feature diversity and can match or surpass state-of-the-art complex representation learning methods for zero-shot RL. Furthermore, we empirically show that prior approaches perform poorly in low-coverage scenarios where RLDP still succeeds.
Authors: Jakaria Rabbi, Nilanjan Ray, Dana Cobzas
Abstract: Disentangling pathological changes from physiological aging in 3D medical shapes is crucial for developing interpretable biomarkers and patient stratification. However, this separation is challenging when diagnosis labels are limited or unavailable, since disease and aging often produce overlapping effects on shape changes, obscuring clinically relevant shape patterns. To address this challenge, we propose a two-stage framework combining unsupervised disease discovery with self-supervised disentanglement of implicit shape representations. In the first stage, we train an implicit neural model with signed distance functions to learn stable shape embeddings. We then apply clustering on the shape latent space, which yields pseudo disease labels without using ground-truth diagnosis during discovery. In the second stage, we disentangle factors in a compact variational space using pseudo disease labels discovered in the first stage and the ground truth age labels available for all subjects. We enforce separation and controllability with a multi-objective disentanglement loss combining covariance and a supervised contrastive loss. On ADNI hippocampus and OAI distal femur shapes, we achieve near-supervised performance, improving disentanglement and reconstruction over state-of-the-art unsupervised baselines, while enabling high-fidelity reconstruction, controllable synthesis, and factor-based explainability. Code and checkpoints are available at https://github.com/anonymous-submission01/medical-shape-disentanglement
URLs: https://github.com/anonymous-submission01/medical-shape-disentanglement
Authors: Nuri Mert Vural, Alberto Bietti, Mahdi Soltanolkotabi, Denny Wu
Abstract: Modern large language models (LLMs) excel at tasks that require storing and retrieving knowledge, such as factual recall and question answering. Transformers are central to this capability because they can encode information during training and retrieve it at inference. Existing theoretical analyses typically study transformers under idealized assumptions such as infinite data or orthogonal embeddings. In realistic settings, however, models are trained on finite datasets with non-orthogonal (random) embeddings. We address this gap by analyzing a single-layer transformer with random embeddings trained with (empirical) gradient descent on a simple token-retrieval task, where the model must identify an informative token within a length-$L$ sequence and learn a one-to-one mapping from tokens to labels. Our analysis tracks the ``early phase'' of gradient descent and yields explicit formulas for the model's storage capacity -- revealing a multiplicative dependence between sample size $N$, embedding dimension $d$, and sequence length $L$. We validate these scalings numerically and further complement them with a lower bound for the underlying statistical problem, demonstrating that this multiplicative scaling is intrinsic under non-orthogonal embeddings.
Authors: Aleph Alpha, :, Adnen Abdessaied, Artur Baranowski, Lukas Balles, Michael Barlow, Fabien C. Y. Benureau, Felix Berkenkamp, Lukas Bluebaum, Bastian Boll, Thomas F. Burns, Bj\"orn Deiseroth, Constantin Eichenberg, David Friede, Pablo Iyu Guerrero, Ahmed Hammam, Bastian Harren, Johann Higl, Yasser Jadidi, Carina Kauf, Johannes Messner, Jan Hendrik Metzen, Max Meuer, Vedant Nanda, Pit Neitemeier, Koen Oostermeijer, Letitia Parcalabescu, Markus Pernpointner, Felix Reinfurt, Dylan Rodriquez, Gr\'egory Schott, Philipp Siedler, Martin Simonovsky, Till Speicher, Volker Stampa, Stephan W\"aldchen, Samuel Weinbach, Gregor Ziegltrum
Abstract: Tokenization is a central component of natural language processing in current large language models (LLMs), enabling models to convert raw text into processable units. Although learned tokenizers are widely adopted, they exhibit notable limitations, including their large, fixed vocabulary sizes and poor adaptability to new domains or languages. We present a family of models with up to 70 billion parameters based on the hierarchical autoregressive transformer (HAT) architecture. In HAT, an encoder transformer aggregates bytes into word embeddings and then feeds them to the backbone, a classical autoregressive transformer. The outputs of the backbone are then cross-attended by the decoder and converted back into bytes. We show that we can reuse available pre-trained models by converting the Llama 3.1 8B and 70B models into the HAT architecture: Llama-3.1-8B-TFree-HAT and Llama-3.1-70B-TFree-HAT are byte-level models whose encoder and decoder are trained from scratch, but where we adapt the pre-trained Llama backbone, i.e., the transformer blocks with the embedding matrix and head removed, to handle word embeddings instead of the original tokens. We also provide a 7B HAT model, Llama-TFree-HAT-Pretrained, trained entirely from scratch on nearly 4 trillion words. The HAT architecture improves text compression by reducing the number of required sequence positions and enhances robustness to intra-word variations, e.g., spelling differences. Through pre-training, as well as subsequent supervised fine-tuning and direct preference optimization in English and German, we show strong proficiency in both languages, improving on the original Llama 3.1 in most benchmarks. We release our models (including 200 pre-training checkpoints) on Hugging Face.
Authors: Rushil Thareja, Gautam Gupta, Francesco Pinto, Nils Lukas
Abstract: Constitutional AI is a method to oversee and control LLMs based on a set of rules written in natural language. These rules are typically written by human experts, but could in principle be learned automatically given sufficient training data for the desired behavior. Existing LLM-based prompt optimizers attempt this but are ineffective at learning constitutions since (i) they require many labeled examples and (ii) lack structure in the optimized prompts, leading to diminishing improvements as prompt size grows. To address these limitations, we propose Multi-Agent Constitutional Learning (MAC), which optimizes over structured prompts represented as sets of rules using a network of agents with specialized tasks to accept, edit, or reject rule updates. We also present MAC+, which improves performance by training agents on successful trajectories to reinforce updates leading to higher reward. We evaluate MAC on tagging Personally Identifiable Information (PII), a classification task with limited labels where interpretability is critical, and demonstrate that it generalizes to other agentic tasks such as tool calling. MAC outperforms recent prompt optimization methods by over 50%, produces human-readable and auditable rule sets, and achieves performance comparable to supervised fine-tuning and GRPO without requiring parameter updates.
Authors: Jaesung Bae, Xiuwen Zheng, Minje Kim, Chang D. Yoo, Mark Hasegawa-Johnson
Abstract: Dysarthric speech quality assessment (DSQA) is critical for clinical diagnostics and inclusive speech technologies. However, subjective evaluation is costly and difficult to scale, and the scarcity of labeled data limits robust objective modeling. To address this, we propose a three-stage framework that leverages unlabeled dysarthric speech and large-scale typical speech datasets to scale training. A teacher model first generates pseudo-labels for unlabeled samples, followed by weakly supervised pretraining using a label-aware contrastive learning strategy that exposes the model to diverse speakers and acoustic conditions. The pretrained model is then fine-tuned for the downstream DSQA task. Experiments on five unseen datasets spanning multiple etiologies and languages demonstrate the robustness of our approach. Our Whisper-based baseline significantly outperforms SOTA DSQA predictors such as SpICE, and the full framework achieves an average SRCC of 0.761 across unseen test datasets.
Authors: Sijie Li, Biao Qian, Jungong Han
Abstract: Network pruning is an effective technique for enabling lightweight Large Vision-Language Models (LVLMs), which primarily incorporates both weights and activations into the importance metric. However, existing efforts typically process calibration data from different modalities in a unified manner, overlooking modality-specific behaviors. This raises a critical challenge: how to address the divergent behaviors of textual and visual tokens for accurate pruning of LVLMs. To this end, we systematically investigate the sensitivity of visual and textual tokens to the pruning operation by decoupling their corresponding weights, revealing that: (i) the textual pathway should be calibrated via text tokens, since it exhibits higher sensitivity than the visual pathway; (ii) the visual pathway exhibits high redundancy, permitting even 50% sparsity. Motivated by these insights, we propose a simple yet effective Asymmetric Text-Visual Weight Pruning method for LVLMs, dubbed ATV-Pruning, which establishes the importance metric for accurate weight pruning by selecting the informative tokens from both textual and visual pathways. Specifically, ATV-Pruning integrates two primary innovations: first, a calibration pool is adaptively constructed by drawing on all textual tokens and a subset of visual tokens; second, we devise a layer-adaptive selection strategy to yield important visual tokens. Finally, extensive experiments across standard multimodal benchmarks verify the superiority of our ATV-Pruning over state-of-the-art methods.
Authors: Saisha Pradeep Shetty, Roger Eric Goldman, Vladimir Filkov
Abstract: Radiology report annotation is essential for clinical NLP, yet manual labeling is slow and costly. We present RadAnnotate, an LLM-based framework that studies retrieval-augmented synthetic reports and confidence-based selective automation to reduce expert effort for labeling in RadGraph. We study RadGraph-style entity labeling (graph nodes) and leave relation extraction (edges) to future work. First, we train entity-specific classifiers on gold-standard reports and characterize their strengths and failure modes across anatomy and observation categories, with uncertain observations hardest to learn. Second, we generate RAG-guided synthetic reports and show that synthetic-only models remain within 1-2 F1 points of gold-trained models, and that synthetic augmentation is especially helpful for uncertain observations in a low-resource setting, improving F1 from 0.61 to 0.70. Finally, by learning entity-specific confidence thresholds, RadAnnotate can automatically annotate 55-90% of reports at 0.86-0.92 entity match score while routing low-confidence cases for expert review.
Authors: Yiqun T. Chen, Moran Guo, Shengy Li
Abstract: Modern studies increasingly leverage outcomes predicted by machine learning and artificial intelligence (AI/ML) models, and recent work, such as prediction-powered inference (PPI), has developed valid downstream statistical inference procedures. However, classical power and sample size formulas do not readily account for these predictions. In this work, we tackle a simple yet practical question: given a new AI/ML model with high predictive power, how many labeled samples are needed to achieve a desired level of statistical power? We derive closed-form power formulas by characterizing the asymptotic variance of the PPI estimator and applying Wald test inversion to obtain the required labeled sample size. Our results cover widely used settings including two-sample comparisons and risk measures in 2x2 tables. We find that a useful rule of thumb is that the reduction in required labeled samples relative to classical designs scales roughly with the R2 between the predictions and the ground truth. Our analytical formulas are validated using Monte Carlo simulations, and we illustrate the framework in three contemporary biomedical applications spanning single-cell transcriptomics, clinical blood pressure measurement, and dermoscopy imaging. We provide our software as an R package and online calculators at https://github.com/yiqunchen/pppower.
Authors: Junwen Qiu, Leilei Mei, Junyu Zhang
Abstract: The global Lipschitz smoothness condition underlies most convergence and complexity analyses via two key consequences: the descent lemma and the gradient Lipschitz continuity. How to study the performance of optimization algorithms in the absence of Lipschitz smoothness remains an active area. The relative smoothness framework from Bauschke-Bolte-Teboulle (2017) and Lu-Freund-Nesterov (2018) provides an extended descent lemma, ensuring convergence of Bregman-based proximal gradient methods and their vanilla stochastic counterparts. However, many widely used techniques (e.g., momentum schemes, random reshuffling, and variance reduction) additionally require the Lipschitz-type bound for gradient deviations, leaving their analysis under relative smoothness an open area. To resolve this issue, we introduce the dual kernel conditioning (DKC) regularity condition to regulate the local relative curvature of the kernel functions. Combined with the relative smoothness, DKC provides a dual Lipschitz continuity for gradients: even though the gradient mapping is not Lipschitz in the primal space, it preserves Lipschitz continuity in the dual space induced by a mirror map. We verify that DKC is widely satisfied by popular kernels and is closed under affine composition and conic combination. With these novel tools, we establish the first complexity bounds as well as the iterate convergence of random reshuffling mirror descent for constrained nonconvex relative smooth problems.
Authors: Hiroyuki Hanada, Satoshi Akahane, Noriaki Hashimoto, Shion Takeno, Ichiro Takeuchi
Abstract: In practical machine learning, the environments encountered during the model development and deployment phases often differ, especially when a model is used by many users in diverse settings. Learning models that maintain reliable performance across plausible deployment environments is known as distributionally robust (DR) learning. In this work, we study the problem of distributionally robust feature selection (DRFS), with a particular focus on sparse sensing applications motivated by industrial needs. In practical multi-sensor systems, a shared subset of sensors is typically selected prior to deployment based on performance evaluations using many available sensors. At deployment, individual users may further adapt or fine-tune models to their specific environments. When deployment environments differ from those anticipated during development, this strategy can result in systems lacking sensors required for optimal performance. To address this issue, we propose safe-DRFS, a novel approach that extends safe screening from conventional sparse modeling settings to a DR setting under covariate shift. Our method identifies a feature subset that encompasses all subsets that may become optimal across a specified range of input distribution shifts, with finite-sample theoretical guarantees of no false feature elimination.
Authors: Vincenzo Buono, Peyman Sheikholharam Mashhadi, Mahmoud Rahat, Prayag Tiwari, Stefan Byttner
Abstract: Attribution methods in explainable AI rely on upsampling techniques that were designed for natural images, not saliency maps. Standard bilinear and bicubic interpolation systematically corrupts attribution signals through aliasing, ringing, and boundary bleeding, producing spurious high-importance regions that misrepresent model reasoning. We identify that the core issue is treating attribution upsampling as an interpolation problem that operates in isolation from the model's reasoning, rather than a mass redistribution problem where model-derived semantic boundaries must govern how importance flows. We present Universal Semantic-Aware Upsampling (USU), a principled method that reformulates upsampling through ratio-form mass redistribution operators, provably preserving attribution mass and relative importance ordering. Extending the axiomatic tradition of feature attribution to upsampling, we formalize four desiderata for faithful upsampling and prove that interpolation structurally violates three of them. These same three force any redistribution operator into a ratio form; the fourth selects the unique potential within this family, yielding USU. Controlled experiments on models with known attribution priors verify USU's formal guarantees; evaluation across ImageNet, CIFAR-10, and CUB-200 confirms consistent faithfulness improvements and qualitatively superior, semantically coherent explanations.
Authors: Shin'ya Yamaguchi, Daiki Chijiwa, Tamao Sakao, Taku Hasegawa
Abstract: Large vision-language models (LVLMs) employ multi-modal in-context learning (MM-ICL) to adapt to new tasks by leveraging demonstration examples. While increasing the number of demonstrations boosts performance, they incur significant inference latency due to the quadratic computational cost of Transformer attention with respect to the context length. To address this trade-off, we propose Parallel In-Context Learning (Parallel-ICL), a plug-and-play inference algorithm. Parallel-ICL partitions the long demonstration context into multiple shorter, manageable chunks. It processes these chunks in parallel and integrates their predictions at the logit level, using a weighted Product-of-Experts (PoE) ensemble to approximate the full-context output. Guided by ensemble learning theory, we introduce principled strategies for Parallel-ICL: (i) clustering-based context chunking to maximize inter-chunk diversity and (ii) similarity-based context compilation to weight predictions by query relevance. Extensive experiments on VQA, image captioning, and classification benchmarks demonstrate that Parallel-ICL achieves performance comparable to full-context MM-ICL, while significantly improving inference speed. Our work offers an effective solution to the accuracy-efficiency trade-off in MM-ICL, enabling dynamic task adaptation with substantially reduced inference overhead.
Authors: Kazuki Yano, Shun Kiyono, Sosuke Kobayashi, Sho Takase, Jun Suzuki
Abstract: We investigate the role of learning rate scheduling in the large-scale pre-training of large language models, focusing on its influence on downstream performance after supervised fine-tuning (SFT). Decay-based learning rate schedulers are widely used to minimize pre-training loss. However, despite their widespread use, how these schedulers affect performance after SFT remains underexplored. In this paper, we examine Warmup-Stable-Only (WSO), which maintains a constant learning rate after warmup without any decay. Through experiments with 1B and 8B parameter models, we show that WSO consistently outperforms decay-based schedulers in terms of performance after SFT, even though decay-based schedulers may exhibit better performance after pre-training. The result also holds across different regimes with mid-training and over-training. Loss landscape analysis further reveals that decay-based schedulers lead models into sharper minima, whereas WSO preserves flatter minima that support adaptability. These findings indicate that applying LR decay to improve pre-training metrics may compromise downstream adaptability. Our work also provides practical guidance for training and model release strategies, highlighting that pre-training models with WSO enhances their adaptability for downstream tasks.
Authors: Shesh Narayan Gupta, Nik Bear Brown
Abstract: Generative models are widely used to compensate for class imbalance in AI training pipelines, yet their failure modes under low-data conditions are poorly understood. This paper reports a controlled benchmark comparing three augmentation strategies applied to a fine-grained animal classification task: traditional transforms, FastGAN, and Stable Diffusion 1.5 fine-tuned with Low-Rank Adaptation (LoRA). Using the Oxford-IIIT Pet Dataset with eight artificially underrepresented breeds, we find that FastGAN augmentation does not merely underperform at very low training set sizes but actively increases classifier bias, with a statistically significant large effect across three random seeds (bias gap increase: +20.7%, Cohen's d = +5.03, p = 0.013). The effect size here is large enough to give confidence in the direction of the finding despite the small number of seeds. Feature embedding analysis using t-distributed Stochastic Neighbor Embedding reveals that FastGAN images for severe-minority breeds form tight isolated clusters outside the real image distribution, a pattern consistent with mode collapse. Stable Diffusion with Low-Rank Adaptation produced the best results overall, achieving the highest macro F1 (0.9125 plus or minus 0.0047) and a 13.1% reduction in the bias gap relative to the unaugmented baseline. The data suggest a sample-size boundary somewhere between 20 and 50 training images per class below which GAN augmentation becomes harmful in this setting, though further work across additional domains is needed to establish where that boundary sits more precisely. All experiments run on a consumer-grade GPU with 6 to 8 GB of memory, with no cloud compute required.
Authors: Enguang Fan, Yifan Chen, Zihan Shan, Matthew Caesar, Jae Kim
Abstract: Autonomous Unmanned Aerial Vehicle (UAV) swarms are increasingly used as rapidly deployable aerial relays and sensing platforms, yet practical deployments must operate under partial observability and intermittent peer-to-peer links. We present a graph-based multi-agent reinforcement learning framework trained under centralized training with decentralized execution (CTDE): a centralized critic and global state are available only during training, while each UAV executes a shared policy using local observations and messages from nearby neighbors. Our architecture encodes local agent state and nearby entities with an agent-entity attention module, and aggregates inter-UAV messages with neighbor self-attention over a distance-limited communication graph. We evaluate primarily on a cooperative relay deployment task (DroneConnect) and secondarily on an adversarial engagement task (DroneCombat). In DroneConnect, the proposed method achieves high coverage under restricted communication and partial observation (e.g. 74% coverage with M = 5 UAVs and N = 10 nodes) while remaining competitive with a mixed-integer linear programming (MILP) optimization-based offline upper bound, and it generalizes to unseen team sizes without fine-tuning. In the adversarial setting, the same framework transfers without architectural changes and improves win rate over non-communicating baselines.
Authors: Arno Strouwen, Sebastian Miclu\c{t}a-C\^ampeanu
Abstract: Model-based design of experiments (MBDOE) is essential for efficient parameter estimation in nonlinear dynamical systems. However, conventional adaptive MBDOE requires costly posterior inference and design optimization between each experimental step, precluding real-time applications. We address this by combining Deep Adaptive Design (DAD), which amortizes sequential design into a neural network policy trained offline, with differentiable mechanistic models. For dynamical systems with known governing equations but uncertain parameters, we extend sequential contrastive training objectives to handle nuisance parameters and propose a transformer-based policy architecture that respects the temporal structure of dynamical systems. We demonstrate the approach on four systems of increasing complexity: a fed-batch bioreactor with Monod kinetics, a Haldane bioreactor with uncertain substrate inhibition, a two-compartment pharmacokinetic model with nuisance clearance parameters, and a DC motor for real-time deployment.
Authors: Moonsoo Park, Seulbeen Je, Donghyeon Park
Abstract: In recommender systems, large language models (LLMs) have gained popularity for generating descriptive summarization to improve recommendation robustness, along with Graph Convolution Networks. However, existing LLM-enhanced recommendation studies mainly rely on the internal knowledge of LLMs about item titles while neglecting the importance of various factors influencing users' decisions. Although information reflecting various decision factors of each user is abundant in reviews, few studies have actively exploited such insights for recommendation. To address these limitations, we propose a ReFORM: Review-aggregated Profile Generation via LLM with Multi-FactOr Attentive RecoMmendation framework. Specifically, we first generate factor-specific user and item profiles from reviews using LLM to capture a user's preference by items and an item's evaluation by users. Then, we propose a Multi-Factor Attention to highlight the most influential factors in each user's decision-making process. In this paper, we conduct experiments on two restaurant datasets of varying scales, demonstrating its robustness and superior performance over state-of-the-art baselines. Furthermore, in-depth analyses validate the effectiveness of the proposed modules and provide insights into the sources of personalization. Our source code and datasets are available at https://github.com/m0onsoo/ReFORM.
Authors: Andrew Qing He, Wei Cai
Abstract: In this paper, we extend the Weak Adversarial Neural Pushforward Method to the Fokker--Planck equation on compact embedded Riemannian manifolds. The method represents the solution as a probability distribution via a neural pushforward map that is constrained to the manifold by a retraction layer, enforcing manifold membership and probability conservation by construction. Training is guided by a weak adversarial objective using ambient plane-wave test functions, whose intrinsic differential operators are derived in closed form from the geometry of the embedding, yielding a fully mesh-free and chart-free algorithm. Both steady-state and time-dependent formulations are developed, and numerical results on a double-well problem on the two-sphere demonstrate the capability of the method in capturing multimodal invariant distributions on curved spaces.
Authors: TianTian Dang, Chao Bi, Shufan Shen, Jinzhe Liu, Qingming Huang, Shuhui Wang
Abstract: Despite the significant advancements in Large Vision-Language Models (LVLMs), their tendency to generate hallucinations undermines reliability and restricts broader practical deployment. Among the hallucination mitigation methods, feature steering emerges as a promising approach that reduces erroneous outputs in LVLMs without increasing inference costs. However, current methods apply uniform feature steering across all layers. This heuristic strategy ignores inter-layer differences, potentially disrupting layers unrelated to hallucinations and ultimately leading to performance degradation on general tasks. In this paper, we propose a plug-and-play framework called Locate-Then-Sparsify for Feature Steering (LTS-FS), which controls the steering intensity according to the hallucination relevance of each layer. We first construct a synthetic dataset comprising token-level and sentence-level hallucination cases. Based on this dataset, we introduce an attribution method based on causal interventions to quantify the hallucination relevance of each layer. With the attribution scores across layers, we propose a layerwise strategy that converts these scores into feature steering intensities for individual layers, enabling more precise adjustments specifically on hallucination-relevant layers. Extensive experiments across multiple LVLMs and benchmarks demonstrate that our LTS-FS framework effectively mitigates hallucination while preserving strong performance.
Authors: Hugo Math
Abstract: Electronic control units (ECUs) embedded within modern vehicles generate a large number of asynchronous events known as diagnostic trouble codes (DTCs). These discrete events form complex temporal sequences that reflect the evolving health of the vehicle's subsystems. In the automotive industry, domain experts manually group these codes into higher-level error patterns (EPs) using Boolean rules to characterize system faults and ensure safety. However, as vehicle complexity grows, this manual process becomes increasingly costly, error-prone, and difficult to scale. Notably, the number of unique DTCs in a modern vehicle is on the same order of magnitude as the vocabulary of a natural language, often numbering in the tens of thousands. This observation motivates a paradigm shift: treating diagnostic sequences as a language that can be modeled, predicted, and ultimately explained. Traditional statistical approaches fail to capture the rich dependencies and do not scale to high-dimensional datasets characterized by thousands of nodes, large sample sizes, and long sequence lengths. Specifically, the high cardinality of categorical event spaces in industrial logs poses a significant challenge, necessitating new machine learning architectures tailored to such event-driven systems. This thesis addresses automated fault diagnostics by unifying event sequence modeling, causal discovery, and large language models (LLMs) into a coherent framework for high-dimensional event streams. It is structured in three parts, reflecting a progressive transition from prediction to causal understanding and finally to reasoning for vehicle diagnostics. Consequently, we introduce several Transformer-based architectures for predictive maintenance, scalable sample- and population-level causal discovery frameworks and a multi-agent system that automates the synthesis of Boolean EP rules.
Authors: Ann Rachel, Pranav M Pawar, Mithun Mukharjee, Raja M, Tojo Mathew
Abstract: Lung cancer is a condition where there is abnormal growth of malignant cells that spread in an uncontrollable fashion in the lungs. Some common treatment strategies are surgery, chemotherapy, and radiation which aren't the best options due to the heterogeneous nature of cancer. In personalized medicine, treatments are tailored according to the individual's genetic information along with lifestyle aspects. In addition, AI-based deep learning methods can analyze large sets of data to find early signs of cancer, types of tumor, and prospects of treatment. The paper focuses on the development of personalized treatment plans using specific patient data focusing primarily on the genetic profile. Multi-Omics data from Genomics of Drug Sensitivity in Cancer have been used to build a predictive model along with machine learning techniques. The value of the target variable, LN-IC50, determines how sensitive or resistive a drug is. An XGBoost regressor is utilized to predict the drug response focusing on molecular and cellular features extracted from cancer datasets. Cross-validation and Randomized Search are performed for hyperparameter tuning to further optimize the model's predictive performance. For explanation purposes, SHAP (SHapley Additive exPlanations) was used. SHAP values measure each feature's impact on an individual prediction. Furthermore, interpreting feature relationships was performed using DeepSeek, a large language model trained to verify the biological validity of the features. Contextual explanations regarding the most important genes or pathways were provided by DeepSeek alongside the top SHAP value constituents, supporting the predictability of the model.
Authors: Joao Manoel Herrera Pinheiro, Gabriela Do Nascimento Herrera, Alvaro Doria Dos Santos, Luciana Bueno Dos Reis Fernandes, Ricardo V. Godoy, Eduardo A. B. Almeida, Helena Carolina Onody, Marcelo Andrade Da Costa Vieira, Angelica Maria Penteado-Dias, Marcelo Becker
Abstract: Accurate taxonomic identification of parasitoid wasps within the superfamily Ichneumonoidea is essential for biodiversity assessment, ecological monitoring, and biological control programs. However, morphological similarity, small body size, and fine-grained interspecific variation make manual identification labor-intensive and expertise-dependent. This study proposes a deep learning-based framework for the automated identification of Ichneumonoidea wasps using a YOLO-based architecture integrated with High-Resolution Class Activation Mapping (HiResCAM) to enhance interpretability. The proposed system simultaneously identifies wasp families from high-resolution images. The dataset comprises 3556 high-resolution images of Hymenoptera specimens. The taxonomic distribution is primarily concentrated among the families Ichneumonidae (n = 786), Braconidae (n = 648), Apidae (n = 466), and Vespidae (n = 460). Extensive experiments were conducted using a curated dataset, with model performance evaluated through precision, recall, F1 score, and accuracy. The results demonstrate high accuracy of over 96 % and robust generalization across morphological variations. HiResCAM visualizations confirm that the model focuses on taxonomically relevant anatomical regions, such as wing venation, antennae segmentation, and metasomal structures, thereby validating the biological plausibility of the learned features. The integration of explainable AI techniques improves transparency and trustworthiness, making the system suitable for entomological research to accelerate biodiversity characterization in an under-described parasitoid superfamily.
Authors: Hanif Rahman
Abstract: We present PashtoCorp, a 1.25-billion-word corpus for Pashto, a language spoken by 60 million people that remains severely underrepresented in NLP. The corpus is assembled from 39 sources spanning seven HuggingFace datasets and 32 purpose-built web scrapers, processed through a reproducible pipeline with Arabic-script tokenization, SHA-256 deduplication, and quality filtering. At 1.25B words across 2.81 million documents, PashtoCorp is 40x larger than the OSCAR Pashto subset and 83x larger than the previously largest dedicated Pashto corpus. Continued MLM pretraining of XLM-R-base on PashtoCorp reduces held-out perplexity by 25.1% (8.08->6.06). On WikiANN Pashto NER, the pretrained model improves entity F1 by 10% relative (19.0%->21.0%) and reduces training variance nearly 7x; the largest gain appears at 50 training sentences (+27%), with PashtoCorp covering 97.9% of WikiANN entity vocabulary. On Belebele Pashto reading comprehension, Gemma-3n achieves 64.6% accuracy, the first published LLM baseline for Pashto on this benchmark. A leave-one-out source ablation shows that Wikipedia (0.7% of documents) is the most critical source for NER: removing it alone reduces entity F1 by 47%. Corpus data, trained model, and code are available at https://huggingface.co/datasets/ihanif/pashto-corpus, https://huggingface.co/ihanif/xlmr-pashto, and https://github.com/ihanif/pashto-corpus.
URLs: https://huggingface.co/datasets/ihanif/pashto-corpus,, https://huggingface.co/ihanif/xlmr-pashto,, https://github.com/ihanif/pashto-corpus.
Authors: Adrien Jacquet Cr\'etides, Mouad Abrini, Hamed Rahimi, Mohamed Chetouani
Abstract: Striking a balance between efficiency and transparent motion is a core challenge in human-robot collaboration, as highly expressive movements often incur unnecessary time and energy costs. In collaborative environments, legibility allows a human observer a better understanding of the robot's actions, increasing safety and trust. However, these behaviors result in sub-optimal and exaggerated trajectories that are redundant in low-ambiguity scenarios where the robot's goal is already obvious. To address this trade-off, we propose Style-Conditioned Diffusion Policy (SCDP), a modular framework that constrains the trajectory generation of a pre-trained diffusion model toward either legibility or efficiency based on the environment's configuration. Our method utilizes a post-training pipeline that freezes the base policy and trains a lightweight scene encoder and conditioning predictor to modulate the diffusion process. At inference time, an ambiguity detection module activates the appropriate conditioning, prioritizing expressive motion only for ambiguous goals and reverting to efficient paths otherwise. We evaluate SCDP on manipulation and navigation tasks, and results show that it enhances legibility in ambiguous settings while preserving optimal efficiency when legibility is unnecessary, all without retraining the base policy.
Authors: Yusuke Nishii, Hiroaki Kawashima
Abstract: This study investigates a method to guide and control fish schools using virtual fish trained with reinforcement learning. We utilize 2D virtual fish displayed on a screen to overcome technical challenges such as durability and movement constraints inherent in physical robotic agents. To address the lack of detailed behavioral models for real fish, we adopt a model-free reinforcement learning approach. First, simulation results show that reinforcement learning can acquire effective movement policies even when simulated real fish frequently ignore the virtual stimulus. Second, real-world experiments with live fish confirm that the learned policy successfully guides fish schools toward specified target directions. Statistical analysis reveals that the proposed method significantly outperforms baseline conditions, including the absence of stimulus and a heuristic "stay-at-edge" strategy. This study provides an early demonstration of how reinforcement learning can be used to influence collective animal behavior through artificial agents.
Authors: Rasul Khanbayov, Mohamed Rayan Barhdadi, Erchin Serpedin, Hasan Kurban
Abstract: Unsupervised physical parameter estimation from video lacks a common benchmark: existing methods evaluate on non-overlapping synthetic data, the sole real-world dataset is restricted to single-body systems, and no established protocol addresses governing-equation identification. This work introduces IRIS, a high-fidelity benchmark comprising 220 real-world videos captured at 4K resolution and 60\,fps, spanning both single- and multi-body dynamics with independently measured ground-truth parameters and uncertainty estimates. Each dynamical system is recorded under controlled laboratory conditions and paired with its governing equations, enabling principled evaluation. A standardized evaluation protocol is defined encompassing parameter accuracy, identifiability, extrapolation, robustness, and governing-equation selection. Multiple baselines are evaluated, including a multi-step physics loss formulation and four complementary equation-identification strategies (VLM temporal reasoning, describe-then-classify prompting, CNN-based classification, and path-based labelling), establishing reference performance across all IRIS scenarios and exposing systematic failure modes that motivate future research. The dataset, annotations, evaluation toolkit, and all baseline implementations are publicly released.
Authors: Vansh Sharma, Venkat Raman
Abstract: This study presents a novel algorithm based on graph theory for the precise segmentation and measurement of detonation cells from 3D pressure traces, termed detonation lattices, addressing the limitations of manual and primitive 2D edge detection methods prevalent in the field. Using a segmentation model, the proposed training-free algorithm is designed to accurately extract cellular patterns, a longstanding challenge in detonations research. First, the efficacy of segmentation on generated data is shown with a prediction error 2%. Next, 3D simulation data is used to establish performance of the graph-based workflow. The results of statistics and joint probability densities show oblong cells aligned with the wave propagation axis with 17% deviation, whereas larger dispersion in volume reflects cubic amplification of linear variability. Although the framework is robust, it remains challenging to reliably segment and quantify highly complex cellular patterns. However, the graph-based formulation generalizes across diverse cellular geometries, positioning it as a practical tool for detonation analysis and a strong foundation for future extensions in triple-point collision studies.
Authors: Jilles S. van Hulst (Maurice), W. P. M. H. (Maurice), Heemels, Duarte J. Antunes
Abstract: Electron microscopy has enabled many scientific breakthroughs across multiple fields. A key challenge is the tuning of microscope parameters based on images to overcome optical aberrations that deteriorate image quality. This calibration problem is challenging due to the high-dimensional and noisy nature of the diagnostic images, and the fact that optimal parameters cannot be identified from a single image. We tackle the calibration problem for Scanning Transmission Electron Microscopes (STEM) by employing variational autoencoders (VAEs), trained on simulated data, to learn low-dimensional representations of images, whereas most existing methods extract only scalar values. We then simultaneously estimate the model that maps calibration parameters to encoded representations and the optimal calibration parameters using an expectation maximization (EM) approach. This joint estimation explicitly addresses the simulation-to-reality gap inherent in data-driven methods that train on simulated data from a digital twin. We leverage the known symmetry property of the optical system to establish global identifiability of the joint estimation problem, ensuring that a unique optimum exists. We demonstrate that our approach is substantially faster and more consistent than existing methods on a real STEM, achieving a 2x reduction in estimation error while requiring fewer observations. This represents a notable advance in automated STEM calibration and demonstrates the potential of VAEs for information compression in images. Beyond microscopy, the VAE-EM framework applies to inverse problems where simulated training data introduces a reality gap and where non-injective mappings would otherwise prevent unique solutions.
Authors: Yong Zou, Haoran Li, Fanxiao Li, Shenyang Wei, Yunyun Dong, Li Tang, Wei Zhou, Renyang Liu
Abstract: Recent progress in image generation models (IGMs) enables high-fidelity content creation but also amplifies risks, including the reproduction of copyrighted content and the generation of offensive content. Image Generation Model Unlearning (IGMU) mitigates these risks by removing harmful concepts without full retraining. Despite growing attention, the robustness under adversarial inputs, particularly image-side threats in black-box settings, remains underexplored. To bridge this gap, we present REFORGE, a black-box red-teaming framework that evaluates IGMU robustness via adversarial image prompts. REFORGE initializes stroke-based images and optimizes perturbations with a cross-attention-guided masking strategy that allocates noise to concept-relevant regions, balancing attack efficacy and visual fidelity. Extensive experiments across representative unlearning tasks and defenses demonstrate that REFORGE significantly improves attack success rate while achieving stronger semantic alignment and higher efficiency than involved baselines. These results expose persistent vulnerabilities in current IGMU methods and highlight the need for robustness-aware unlearning against multi-modal adversarial attacks. Our code is at: https://github.com/Imfatnoily/REFORGE.
Authors: Xiaojie Gu, Sherry T. Tong, Aosong Feng, Sophia Simeng Han, Jinghui Lu, Yingjian Chen, Yusuke Iwasawa, Yutaka Matsuo, Chanjun Park, Rex Ying, Irene Li
Abstract: Reasoning-focused large language models (LLMs) have advanced in many NLP tasks, yet their evaluation remains challenging: final answers alone do not expose the intermediate reasoning steps, making it difficult to determine whether a model truly reasons correctly and where failures occur, while existing multi-hop QA benchmarks lack step-level annotations for diagnosing reasoning failures. To address this gap, we propose Omanic, an open-domain multi-hop QA resource that provides decomposed sub-questions and intermediate answers as structural annotations for analyzing reasoning processes. It contains 10,296 machine-generated training examples (OmanicSynth) and 967 expert-reviewed human-annotated evaluation examples (OmanicBench). Systematic evaluations show that state-of-the-art LLMs achieve only 73.11% multiple-choice accuracy on OmanicBench, confirming its high difficulty. Stepwise analysis reveals that CoT's performance hinges on factual completeness, with its gains diminishing under knowledge gaps and errors amplifying in later hops. Additionally, supervised fine-tuning on OmanicSynth brings substantial transfer gains (7.41 average points) across six reasoning and math benchmarks, validating the dataset's quality and further supporting the effectiveness of OmanicSynth as supervision for reasoning-capability transfer. We release the data at https://huggingface.co/datasets/li-lab/Omanic and the code at https://github.com/XiaojieGu/Omanic.
URLs: https://huggingface.co/datasets/li-lab/Omanic, https://github.com/XiaojieGu/Omanic.
Authors: Jun Liu, Pu Zhao, Zhenglun Kong, Xuan Shen, Peiyan Dong, Fan Yang, Lin Cui, Hao Tang, Geng Yuan, Wei Niu, Wenbin Zhang, Xue Lin, Gaowen Liu, Yanzhi Wang, Dong Huang
Abstract: Embodied robotic systems increasingly rely on large language model (LLM)-based agents to support high-level reasoning, planning, and decision-making during interactions with the environment. However, invoking LLM reasoning introduces substantial computational latency and resource overhead, which can interrupt action execution and reduce system reliability. Excessive reasoning may delay actions, while insufficient reasoning often leads to incorrect decisions and task failures. This raises a fundamental question for embodied agents: when should the agent reason, and when should it act? In this work, we propose RARRL (Resource-Aware Reasoning via Reinforcement Learning), a hierarchical framework for resource-aware orchestration of embodied agents. Rather than learning low-level control policies, RARRL learns a high-level orchestration policy that operates at the agent's decision-making layer. This policy enables the agent to adaptively determine whether to invoke reasoning, which reasoning role to employ, and how much computational budget to allocate based on current observations, execution history, and remaining resources. Extensive experiments, including evaluations with empirical latency profiles derived from the ALFRED benchmark, show that RARRL consistently improves task success rates while reducing execution latency and enhancing robustness compared with fixed or heuristic reasoning strategies. These results demonstrate that adaptive reasoning control is essential for building reliable and efficient embodied robotic agents.
Authors: Kabir Aladin Verchand, Ankit Pensia, Saminul Haque, Rohith Kuditipudi
Abstract: We consider computationally-efficient estimation of population parameters when observations are subject to missing data. In particular, we consider estimation under the realizable contamination model of missing data in which an $\epsilon$ fraction of the observations are subject to an arbitrary (and unknown) missing not at random (MNAR) mechanism. When the true data is Gaussian, we provide evidence towards statistical-computational gaps in several problems. For mean estimation in $\ell_2$ norm, we show that in order to obtain error at most $\rho$, for any constant contamination $\epsilon \in (0, 1)$, (roughly) $n \gtrsim d e^{1/\rho^2}$ samples are necessary and that there is a computationally-inefficient algorithm which achieves this error. On the other hand, we show that any computationally-efficient method within certain popular families of algorithms requires a much larger sample complexity of (roughly) $n \gtrsim d^{1/\rho^2}$ and that there exists a polynomial time algorithm based on sum-of-squares which (nearly) achieves this lower bound. For covariance estimation in relative operator norm, we show that a parallel development holds. Finally, we turn to linear regression with missing observations and show that such a gap does not persist. Indeed, in this setting we show that minimizing a simple, strongly convex empirical risk nearly achieves the information-theoretic lower bound in polynomial time.
Authors: Akira Saito, Hiromu Fujita
Abstract: This paper discusses a novel data-driven nonlinearity identification method for mechanical systems with nonlinear restoring forces such as polynomial, piecewise-linear, and general displacement-dependent nonlinearities. The proposed method is built upon the universal approximation theorem that states that a nonlinear function can be approximated by a linear combination of activation functions in artificial neural network framework. The proposed approach utilizes piecewise linear springs with initial gaps to act as the activation functions of the neurons of artificial neural networks. A library of piecewise linear springs with initial gaps are constructed, and the contributions of the springs on the nonlinear restoring force are determined by solving the linear regression problems. The piecewise linear springs are realized by combinations of min and max functions with biases. The proposed method is applied to a Duffing oscillator with cubic stiffness, and a piecewise linear oscillator with a gap and their nonlinearities are successfully determined from their free responses. The obtained models are then used for conducting forced response analysis and the results match well with those of the original system. The method is then applied to experimentally-obtained free response data of a cantilevered plate that is subjected to magnetic restoring force, and successfully finds the piecewise linear representation of the magnetic force. It is also shown that the obtained model is capable of accurately capturing the steady-state response of the system subject to harmonic base excitation.
Authors: Valentin Lafargue, Ariel Guerra-Adames, Emmanuelle Claeys, Elouan Vuichard, Jean-Michel Loubes
Abstract: Large language models (LLMs) are increasingly deployed in applications with societal impact, raising concerns about the cultural biases they encode. We probe these representations by evaluating whether LLMs can perform author profiling from song lyrics in a zero-shot setting, inferring singers' gender and ethnicity without task-specific fine-tuning. Across several open-source models evaluated on more than 10,000 lyrics, we find that LLMs achieve non-trivial profiling performance but demonstrate systematic cultural alignment: most models default toward North American ethnicity, while DeepSeek-1.5B aligns more strongly with Asian ethnicity. This finding emerges from both the models' prediction distributions and an analysis of their generated rationales. To quantify these disparities, we introduce two fairness metrics, Modality Accuracy Divergence (MAD) and Recall Divergence (RD), and show that Ministral-8B displays the strongest ethnicity bias among the evaluated models, whereas Gemma-12B shows the most balanced behavior. Our code is available on GitHub (https://github.com/ValentinLafargue/CulturalProbingLLM).
URLs: https://github.com/ValentinLafargue/CulturalProbingLLM).
Authors: Jay Chooi, Paul G\"olz, Ariel D. Procaccia, Benjamin Schiffer, Shirley Zhang
Abstract: We study the problem of selecting a statement that finds common ground across diverse population preferences. Generative AI is uniquely suited for this task because it can access a practically infinite set of statements, but AI systems like the Habermas machine leave the choice of generated statement to a voting rule. What it means for this rule to find common ground, however, is not well-defined. In this work, we propose a formal model for finding common ground in the infinite alternative setting based on the proportional veto core from social choice. To provide guarantees relative to these infinitely many alternatives and a large population, we wish to satisfy a notion of proportional veto core using only query access to the unknown distribution of alternatives and voters. We design an efficient sampling-based algorithm that returns an alternative in the (approximate) proportional veto core with high probability and prove matching lower bounds, which show that no algorithm can do the same using fewer queries. On a synthetic dataset of preferences over text, we confirm the effectiveness of our sampling-based algorithm and compare other social choice methods as well as LLM-based methods in terms of how reliably they produce statements in the proportional veto core.
Authors: Yi Chen, Daiwei Chen, Sukrut Madhav Chikodikar, Caitlyn Heqi Yin, Ramya Korlakai Vinayak
Abstract: Large language models (LLMs) frequently hallucinate, limiting their reliability in knowledge-intensive applications. Retrieval-augmented generation (RAG) and conformal factuality have emerged as potential ways to address this limitation. While RAG aims to ground responses in retrieved evidence, it provides no statistical guarantee that the final output is correct. Conformal factuality filtering offers distribution-free statistical reliability by scoring and filtering atomic claims using a threshold calibrated on held-out data, however, the informativeness of the final output is not guaranteed. We systematically analyze the reliability and usefulness of conformal factuality for RAG-based LLMs across generation, scoring, calibration, robustness, and efficiency. We propose novel informativeness-aware metrics that better reflect task utility under conformal filtering. Across three benchmarks and multiple model families, we find that (i) conformal filtering suffers from low usefulness at high factuality levels due to vacuous outputs, (ii) conformal factuality guarantee is not robust to distribution shifts and distractors, highlighting the limitation that requires calibration data to closely match deployment conditions, and (iii) lightweight entailment-based verifiers match or outperform LLM-based model confidence scorers while requiring over $100\times$ fewer FLOPs. Overall, our results expose factuality-informativeness trade-offs and fragility of conformal filtering framework under distribution shifts and distractors, highlighting the need for new approaches for reliability with robustness and usefulness as key metrics, and provide actionable guidance for building RAG pipelines that are both reliable and computationally efficient.
Authors: Saksham Jain, Alex Luedtke
Abstract: Beyond conditional average treatment effects, treatments may impact the entire outcome distribution in covariate-dependent ways, for example, by altering the variance or tail risks for specific subpopulations. We propose a novel estimand to capture such conditional distributional treatment effects, and develop a doubly robust estimator that is minimax optimal in the local asymptotic sense. Using this, we develop a test for the global homogeneity of conditional potential outcome distributions that accommodates discrepancies beyond the maximum mean discrepancy (MMD), has provably valid type 1 error, and is consistent against fixed alternatives -- the first test, to our knowledge, with such guarantees in this setting. Furthermore, we derive exact closed-form expressions for two natural discrepancies (including the MMD), and provide a computationally efficient, permutation-free algorithm for our test.
Authors: Kaixuan Wang, Tianxing Chen, Jiawei Liu, Honghao Su, Shaolong Zhu, Minxuan Wang, Zixuan Li, Yue Chen, Huan-ang Gao, Yusen Qin, Jiawei Wang, Qixuan Zhang, Lan Xu, Jingyi Yu, Yao Mu, Ping Luo
Abstract: Learning in simulation provides a useful foundation for scaling robotic manipulation capabilities. However, this paradigm often suffers from a lack of data-generation-ready digital assets, in both scale and diversity. In this work, we present ManiTwin, an automated and efficient pipeline for generating data-generation-ready digital object twins. Our pipeline transforms a single image into simulation-ready and semantically annotated 3D asset, enabling large-scale robotic manipulation data generation. Using this pipeline, we construct ManiTwin-100K, a dataset containing 100K high-quality annotated 3D assets. Each asset is equipped with physical properties, language descriptions, functional annotations, and verified manipulation proposals. Experiments demonstrate that ManiTwin provides an efficient asset synthesis and annotation workflow, and that ManiTwin-100K offers high-quality and diverse assets for manipulation data generation, random scene synthesis, and VQA data generation, establishing a strong foundation for scalable simulation data synthesis and policy learning. Our webpage is available at https://manitwin.github.io/.
Authors: Liang Yan, Shengzhong Zhang, Bisheng Li, Menglin Yang, Chen Yang, Min Zhou, Weiyang Ding, Yutong Xie, Zengfeng Huang
Abstract: Class imbalance in graph data presents a significant challenge for effective node classification, particularly in semi-supervised scenarios. In this work, we formally introduce the concept of geometric imbalance, which captures how message passing on class-imbalanced graphs leads to geometric ambiguity among minority-class nodes in the riemannian manifold embedding space. We provide a rigorous theoretical analysis of geometric imbalance on the riemannian manifold and propose a unified framework that explicitly mitigates it through pseudo-label alignment, node reordering, and ambiguity filtering. Extensive experiments on diverse benchmarks show that our approach consistently outperforms existing methods, especially under severe class imbalance. Our findings offer new theoretical insights and practical tools for robust semi-supervised node classification.
Authors: Jade Garcia Bourr\'ee, Erwan Le Merrer, Gilles Tredan, Beno\^it Rottembourg
Abstract: Algorithmic auditing has become central to platform accountability under frameworks such as the AI Act and the Digital Services Act. In practice, this obligation is discharged through dedicated Audit APIs. This architecture creates a paradox: the entity under scrutiny controls the evaluation interface. A platform facing legal sanctions can serve a compliant surrogate model on its Audit API, while running a discriminatory production system. This deceptive practice is known as fairwashing. Manipulation is undetectable if the auditor relies on only one source. To address this limitation, we introduce the Two-Source Audit Model (2SAM). This model cross-references the Audit API with an independent trusted stream. The key insight is that the trusted stream does not need to be perfectly aligned with the Audit API. We introduce a consistency proxy, a probabilistic mapping that can reconcile discrepancies between sources. This approach yields three results. First, we quantify the rate of manipulation above which a single-source auditor is blind. Second, we show how proxy quality governs detection power. Third, we provide a closed-form budget condition guaranteeing detection at any target confidence level, closing the blind spot mentioned above. We validate 2SAM on the UCI Adult dataset, achieving $70\%$ detection power with as few as $127$ cross-verification queries out of a total budget of $750$, using a name-based gender proxy with $94.2\%$ accuracy.
Authors: Olivier Truffinet (CEA Saclay), Karim Ammar (CEA Saclay), Jean-Philippe Argaud (EDF R&D), Bertrand Bouriquet (EDF)
Abstract: The Linear Model of Co-regionalization (LMC) is a very general multitask gaussian process model for regression or classification. While its expressiveness and conceptual simplicity are appealing, naive implementations have cubic complexity in the product (number of datapoints $\times$ number of tasks), making approximations mandatory for most applications. However, recent work has shown that in some settings the latent processes of the model can be decoupled, leading to a complexity that is only linear in the number of said processes. We here extend these results, showing from the most general assumptions that the only condition necessary to an efficient exact computation of the LMC is a mild hypothesis on the noise model. We introduce a full parametrization of the resulting \emph{projected LMC} model, enabling its efficient optimization. The effectiveness of this approach is assessed through synthetic and real-data experiments, testing in particular the behavior of its underlying noise model restriction.\\ Overall, the projected LMC appears as a competitive and simpler alternative to state-of-the art multitask gaussian process models. It greatly facilitates some computations such as training data updates or leave-one-out cross-validation, and is more interpretable, for it gives access to its low-dimensional quantities and to their explicit relation with the full-dimensional data. These qualities could facilitate the adoption by various industries of entire classes of methodologies, notably multitask bayesian optimization.
Authors: Ka Chun Lam, Bridget W Mahony, Armin Raznahan, Francisco Pereira
Abstract: Psychiatry research seeks to understand the manifestations of psychopathology in behavior, as measured in questionnaire data, by identifying a small number of latent factors that explain them. While factor analysis is the traditional tool for this purpose, the resulting factors may not be interpretable, and may also be subject to confounding variables. Moreover, missing data are common, and explicit imputation is often required. To overcome these limitations, we introduce interpretability constrained questionnaire factorization (ICQF), a non-negative matrix factorization method with regularization tailored for questionnaire data. Our method aims to promote factor interpretability and solution stability. We provide an optimization procedure with theoretical convergence guarantees, and an automated procedure to detect latent dimensionality accurately. We validate these procedures using realistic synthetic data. We demonstrate the effectiveness of our method in a widely used general-purpose questionnaire, in two independent datasets (the Healthy Brain Network and Adolescent Brain Cognitive Development studies). Specifically, we show that ICQF improves interpretability, as defined by domain experts, while preserving diagnostic information across a range of disorders, and outperforms competing methods for smaller dataset sizes. This suggests that the regularization in our method matches domain characteristics. The python implementation for ICQF is available at https://github.com/jefferykclam/ICQF.
Authors: Yoshitaka Inoue, Hunmin Lee, Tianfan Fu, Rui Kuang, Augustin Luna
Abstract: For translational impact, both accurate drug response prediction and biological plausibility of predictive features are needed. We present drGT, a heterogeneous graph deep learning model over drugs, genes, and cell lines that couples prediction with mechanism-oriented interpretability via attention coefficients (ACs). We assess both predictive generalization (random, unseen-drug, unseen-cell, and zero-shot splits) and biological plausibility (use of text-mined PubMed gene-drug co-mentions and comparison to a structure-based DTI predictor) on GDSC, NCI60, and CTRP datasets. Across benchmarks, drGT consistently delivers top regression performance while maintaining competitive classification accuracy for drug sensitivity. Under random 5-fold cross-validation, drGT attains an AUROC of up to 0.945 (3rd overall) and an $R^2$ up to 0.690, outperforming all baselines on regression. In leave-one-out tests for unseen cell lines and drugs, drGT achieves AUROCs of 0.706 and 0.844, and $R^2$ values of 0.692 and 0.022, the only model yielding positive $R^2$ for unseen drugs. In zero-shot prediction, drGT achieves an AUROC of 0.786 and a regression $R^2$ of 0.334, both representing the highest scores among all models. For interpretability, AC-derived drug-gene links recover known biology: among 976 drugs with known DTIs, 36.9% of predicted links match established DTIs, and 63.7% are supported by either PubMed abstracts or a structure-based predictive model. Enrichment analyses of AC-prioritized genes reveal drug-perturbed biological processes, providing pathway-level explanations. drGT advances predictive generalization and mechanism-centered interpretability, offering state-of-the-art regression accuracy and literature-supported biological hypotheses that demonstrate the use of graph learning from heterogeneous input data for biological discovery. Code: https://github.com/sciluna/drGT
Authors: Zijin Gu, Tatiana Likhomanenko, He Bai, Erik McDermott, Ronan Collobert, Navdeep Jaitly
Abstract: Language models play a central role in automatic speech recognition (ASR), yet most methods rely on text-only models unaware of ASR error patterns. Recently, large language models (LLMs) have been applied to ASR correction, but introduce latency and hallucination concerns. We revisit ASR error correction with compact seq2seq models, trained on ASR errors from real and synthetic audio. To scale training, we construct synthetic corpora via cascaded TTS and ASR, finding that matching the diversity of realistic error distributions is key. We propose correction-first decoding, where the correction model generates candidates rescored using ASR acoustic scores. With 15x fewer parameters than LLMs, our model achieves 1.5/3.3% WER on LibriSpeech test-clean/other, outperforms LLMs, generalizes across ASR architectures (CTC, Seq2seq, Transducer) and diverse domains, and provides precise corrections in the low-error regime where LLMs struggle.
Authors: Zekai Guo, Lihui Chai, Ye Li
Abstract: Full waveform inversion (FWI) aims to reconstruct subsurface velocity models from observed seismic wavefields and has recently benefited from advances in deep learning (DL). The performance of DL-based FWI critically depends on the diversity of training data, yet existing datasets such as OpenFWI rely on fixed or weakly varying source conditions, limiting their ability to represent realistic seismic scenarios and hindering source generalization. To address this issue, we construct a new source-variable seismic dataset, termed SVFWI, by systematically varying the frequencies and horizontal locations of multiple surface sources. SVFWI is further divided into three subsets that respectively model frequency variations, location variations, and their combined effects, providing a challenging benchmark in data-driven FWI. We further propose SG-DeepONet, a novel DeepONet-based encoder-decoder framework tailored for FWI. The branch network extracts multi-scale time-frequency features from seismic observations, the trunk network explicitly embeds source physical parameters, and an interactive decoding network enables effective nonlinear fusion and high-fidelity velocity reconstruction. Extensive experiments on SVFWI demonstrate that SG-DeepONet achieves superior inversion accuracy and robustness under varying source conditions compared with existing DL-based FWI methods.
Authors: Wen Ye, Wei Yang, Defu Cao, Yizhou Zhang, Lumingyuan Tang, Jie Cai, Yan Liu
Abstract: Time series analysis is crucial in real-world applications, yet traditional methods focus on isolated tasks only, and recent studies on time series reasoning remain limited to either single-step inference or are constrained to natural language answers. In this work, we introduce TS-Reasoner, a domain-specialized agent designed for multi-step time series inference. By integrating large language model (LLM) reasoning with domain-specific computational tools and an error feedback loop, TS-Reasoner enables domain-informed, constraint-aware analytical workflows that combine symbolic reasoning with precise numerical analysis. We assess the system's capabilities along two axes: (1) fundamental time series understanding assessed by TimeSeriesExam and (2) complex, multi-step inference evaluated by a newly proposed dataset designed to test both compositional reasoning and computational precision in time series analysis. Experiments show that our approach outperforms standalone general-purpose LLMs in both basic time series concept understanding as well as the multi-step time series inference task, highlighting the promise of domain-specialized agents for automating real-world time series reasoning and analysis.
Authors: Suraj Kumar, Soumi Chattopadhyay, Chandranath Adak
Abstract: Quality-of-Service (QoS) prediction is a critical task in the service lifecycle, enabling precise and adaptive service recommendations by anticipating performance variations over time in response to evolving network uncertainties and user preferences. However, contemporary QoS prediction methods frequently encounter data sparsity and cold-start issues, which hinder accurate QoS predictions and limit the ability to capture diverse user preferences. Additionally, these methods often assume QoS data reliability, neglecting potential credibility issues such as outliers and the presence of greysheep users and services with atypical invocation patterns. Furthermore, traditional approaches fail to leverage diverse features, including domain-specific knowledge and complex higher-order patterns, essential for accurate QoS predictions. In this paper, we introduce a real-time, trust-aware framework for temporal QoS prediction to address the aforementioned challenges, featuring an end-to-end deep architecture called the Hypergraph Convoluted Transformer Network (HCTN). HCTN combines a hypergraph structure with graph convolution over hyper-edges to effectively address high-sparsity issues by capturing complex, high-order correlations. Complementing this, the transformer network utilizes multi-head attention along with parallel 1D convolutional layers and fully connected dense blocks to capture both fine-grained and coarse-grained dynamic patterns. Additionally, our approach includes a sparsity-resilient solution for detecting greysheep users and services, incorporating their unique characteristics to improve prediction accuracy. Trained with a robust loss function resistant to outliers, HCTN demonstrated state-of-the-art performance on the large-scale WSDREAM-2 datasets for response time and throughput.
Authors: Xinyu Yuan, Yan Qiao, Meng Li, Zhenchun Wei, Cuiying Feng, Zonghui Wang, Wenzhi Chen
Abstract: Estimating the frequency of items on the high-volume, fast data stream has been extensively studied in many areas, such as database and network measurement. Traditional sketches provide only coarse estimates under strict memory constraints. Although some learning-augmented methods have emerged recently, they typically rely on offline training with real frequencies or/and labels, which are often unavailable. Moreover, these methods suffer from slow update speeds, limiting their suitability for real-time processing despite offering only marginal accuracy improvements. To overcome these challenges, we propose UCL-sketch, a practical learning-based paradigm for per-key frequency estimation. Our design introduces two key innovations: (i) an online training mechanism based on equivalent learning that requires no ground truth (GT), and (ii) a highly scalable architecture leveraging logically structured estimation buckets to scale to real-world data stream. The UCL-sketch, which utilizes compressive sensing (CS), converges to an estimator that provably yields a error bound far lower than that of prior works, without sacrificing the speed of processing. Extensive experiments on both real-world and synthetic datasets demonstrate that our approach outperforms previously proposed approaches regarding per-key accuracy and distribution. Notably, under extremely tight memory budgets, its quality almost matches that of an (infeasible) omniscient oracle. Moreover, compared to the existing equation-based sketch, UCL-sketch achieves an average decoding speedup of nearly 500 times. To help further research and development, our code is publicly available at https://github.com/Y-debug-sys/UCL-sketch.
Authors: Louisa Cornelis, Guillermo Bern\'ardez, Haewon Jeong, Nina Miolane
Abstract: In high-stakes domains like healthcare, users often expect that sharing personal information with machine learning systems will yield tangible benefits, such as more accurate diagnoses and clearer explanations of contributing factors. However, the validity of this assumption remains largely unexplored. We propose a unified framework to quantify how personalizing a model influences both prediction and explanation. We show that its impacts on prediction and explanation can diverge: a model may become more or less explainable even when prediction is unchanged. For practical settings, we study a standard hypothesis test for detecting personalization effects on demographic groups. We derive a finite-sample lower bound on its probability of error as a function of group sizes, number of personal attributes, and desired benefit from personalization. This provides actionable insights, such as which dataset characteristics are necessary to test an effect, or the maximum effect that can be tested given a dataset. We apply our framework to real-world tabular datasets using feature-attribution methods, uncovering scenarios where effects are fundamentally untestable due to the dataset statistics. Our results highlight the need for joint evaluation of prediction and explanation in personalized models and the importance of designing models and datasets with sufficient information for such evaluation.
Authors: Max Rudolph, Nathan Lichtle, Sobhan Mohammadpour, Alexandre Bayen, J. Zico Kolter, Amy Zhang, Gabriele Farina, Eugene Vinitsky, Samuel Sokota
Abstract: In the past decade, motivated by the putative failure of naive self-play deep reinforcement learning (DRL) in adversarial imperfect-information games, researchers have developed numerous DRL algorithms based on fictitious play (FP), double oracle (DO), and counterfactual regret minimization (CFR). In light of recent results of the magnetic mirror descent algorithm, we hypothesize that simpler generic policy gradient methods like PPO are competitive with or superior to these FP-, DO-, and CFR-based DRL approaches. To facilitate the resolution of this hypothesis, we implement and release the first broadly accessible exact exploitability computations for five large games. Using these games, we conduct the largest-ever exploitability comparison of DRL algorithms for imperfect-information games. Over 7000 training runs, we find that FP-, DO-, and CFR-based approaches fail to outperform generic policy gradient methods. Code is available at https://github.com/nathanlct/IIG-RL-Benchmark and https://github.com/gabrfarina/exp-a-spiel .
URLs: https://github.com/nathanlct/IIG-RL-Benchmark, https://github.com/gabrfarina/exp-a-spiel
Authors: Eliot Beyler (SIERRA), Francis Bach (SIERRA)
Abstract: Score-based generative models achieve state-of-the-art sampling performance by denoising a distribution perturbed by Gaussian noise. In this paper, we focus on a single deterministic denoising step, and compare the optimal denoiser for the quadratic loss, we name ''full-denoising'', to the alternative ''half-denoising'' introduced by Hyv{\"a}rinen (2025). We show that looking at the performance in terms of distance between distributions tells a more nuanced story, with different assumptions on the data leading to very different conclusions. We prove that half-denoising is better than full-denoising for regular enough densities, while full-denoising is better for singular densities such as mixtures of Dirac measures or densities supported on a low-dimensional subspace. In the latter case, we prove that full-denoising can alleviate the curse of dimensionality under a linear manifold hypothesis.
Authors: Chuqin Geng, Ziyu Zhao, Zhaoyue Wang, Haolin Ye, Yuhe Jiang, Xujie Si
Abstract: Existing rule-based explanations for Graph Neural Networks (GNNs) provide global interpretability but often optimize and assess fidelity in an intermediate, uninterpretable concept space, overlooking grounding quality for end users in the final subgraph explanations. This gap yields explanations that may appear faithful yet be unreliable in practice. To this end, we propose LogicXGNN, a post-hoc framework that constructs logical rules over reliable predicates explicitly designed to capture the GNN's message-passing structure, thereby ensuring effective grounding. We further introduce data-grounded fidelity ($\textit{Fid}_{\mathcal{D}}$), a realistic metric that evaluates explanations in their final-graph form, along with complementary utility metrics such as coverage and validity. Across extensive experiments, LogicXGNN improves $\textit{Fid}_{\mathcal{D}}$ by over 20% on average relative to state-of-the-art methods while being 10-100 $\times$ faster. With strong scalability and utility performance, LogicXGNN produces explanations that are faithful to the model's logic and reliably grounded in observable data. Our code is available at https://github.com/allengeng123/LogicXGNN/.
Authors: Donato Crisostomi, Alessandro Zirilli, Antonio Andrea Gargiulo, Maria Sofia Bucarelli, Simone Scardapane, Fabrizio Silvestri, Iacopo Masi, Emanuele Rodol\`a
Abstract: Model merging has recently emerged as a lightweight alternative to ensembling, combining multiple fine-tuned models into a single set of parameters with no additional training overhead. Yet, existing merging methods fall short of matching the full accuracy of separately fine-tuned endpoints. We present MASS (MoErging through Adaptive Subspace Selection), a new approach that closes this gap by unifying multiple fine-tuned models while retaining near state-of-the-art performance across tasks. Building on the low-rank decomposition of per-task updates, MASS stores only the most salient singular components for each task and merges them into a shared model. At inference time, a non-parametric, data-free router identifies which subspace (or combination thereof) best explains an input's intermediate features and activates the corresponding task-specific block. This procedure is fully training-free and introduces only a two-pass inference overhead plus a ~2 storage factor compared to a single pretrained model, irrespective of the number of tasks. We evaluate MASS on CLIP-based image classification using ViT-B-16, ViT-B-32 and ViT-L-14 for benchmarks of 8, 14 and 20 tasks respectively, establishing a new state-of-the-art. Most notably, MASS recovers up to ~98% of the average accuracy of individual fine-tuned models, making it a practical alternative to ensembling at a fraction of the storage cost.
Authors: Ziyi Zhang, Li Shen, Deheng Ye, Yong Luo, Huangxuan Zhao, Meng Liu, Wei Yu, Lefei Zhang
Abstract: Text-to-multiview (T2MV) diffusion models have shown great promise in generating multiple views of a scene from a single text prompt. While few-step backbones enable real-time T2MV generation, they often compromise key aspects of generation quality, such as per-view fidelity and cross-view consistency. Reinforcement learning (RL) finetuning offers a potential solution, yet existing approaches designed for single-image diffusion do not readily extend to the few-step T2MV setting, as they neglect cross-view coordination and suffer from weak learning signals in few-step regimes. To address this, we propose MVC-ZigAL, a tailored RL finetuning framework for few-step T2MV diffusion models. Specifically, its core insights are: (1) a new MDP formulation that jointly models all generated views and assesses their collective quality via a joint-view reward; (2) a novel advantage learning strategy that exploits the performance gains of a self-refinement sampling scheme over standard sampling, yielding stronger learning signals for effective RL finetuning; and (3) a unified RL framework that extends advantage learning with a Lagrangian dual formulation for multiview-constrained optimization, balancing single-view and joint-view objectives through adaptive primal-dual updates under a self-paced threshold curriculum that harmonizes exploration and constraint enforcement. Collectively, these designs enable robust and balanced RL finetuning for few-step T2MV diffusion models, yielding substantial gains in both per-view fidelity and cross-view consistency. Code is available at https://github.com/ZiyiZhang27/MVC-ZigAL.
Authors: Bao Pham, Gabriel Raya, Matteo Negri, Mohammed J. Zaki, Luca Ambrogioni, Dmitry Krotov
Abstract: Dense Associative Memories (DenseAMs) are generalizations of Hopfield networks, which have superior information storage capacity and can store training data points (memories) at local minima of the energy landscape. When the amount of training data exceeds the critical memory storage capacity of these models, new local minima, which are different from the training data, emerge. In Associative Memory these emergent local minima are called $\textit{spurious}\; \textit{states}$, which hinder memory retrieval. In this work, we examine diffusion models (DMs) through the DenseAM lens, viewing their generative process as an attempt of a memory retrieval. In the small data regimes, DMs create distinct attractors for each training sample, akin to DenseAMs below the critical memory storage. As the training data size increases, they transition from memorization to generalization. We identify a critical intermediate phase, predicted by DenseAM theory -- the spurious states. In generative modeling, these states are no longer negative artifacts but rather are the first signs of generative capabilities. We characterize the basins of attraction, energy landscape curvature, and computational properties of these previously overlooked states. Their existence is demonstrated across a wide range of architectures and datasets.
Authors: Zhe Ye, Zhengxu Yan, Jingxuan He, Timothe Kasriel, Kaiyu Yang, Dawn Song
Abstract: Large language models (LLMs) are increasingly integrated in software development, but ensuring correctness in LLM-generated code remains challenging and often requires costly manual review. Verifiable code generation -- jointly generating code, specifications, and proofs of code-specification alignment -- offers a promising path to address this limitation and further unleash LLMs' benefits in coding. Yet, there exists a significant gap in evaluation: current benchmarks often focus on only individual components rather than providing a holistic evaluation framework of all tasks. In this paper, we introduce VERINA (Verifiable Code Generation Arena), a high-quality benchmark enabling a comprehensive and modular evaluation of code, specification, and proof generation as well as their compositions. VERINA consists of 189 manually curated coding tasks in Lean, with detailed problem descriptions, reference implementations, formal specifications, and extensive test suites. Our extensive evaluation of state-of-the-art LLMs reveals significant challenges in verifiable code generation, especially in proof generation, underscoring the need for improving LLM-based theorem provers in verification domains. The best model, OpenAI o3, achieves a 72.6\% code correctness rate, 52.3\% for specification soundness and completeness, and a mere 4.9\% proof success rate (based on one trial per task). We hope VERINA will catalyze progress in verifiable code generation by providing a rigorous and comprehensive benchmark. We release our dataset on https://huggingface.co/datasets/sunblaze-ucb/verina and our evaluation code on https://github.com/sunblaze-ucb/verina.
URLs: https://huggingface.co/datasets/sunblaze-ucb/verina, https://github.com/sunblaze-ucb/verina.
Authors: Chengxi Li, Ming Xiao, Mikael Skoglund
Abstract: In this paper, we investigate the problem of distributed learning (DL) in the presence of Byzantine attacks. For this problem, various robust bounded aggregation (RBA) rules have been proposed at the central server to mitigate the impact of Byzantine attacks. However, current DL methods apply RBA rules for the local gradients from the honest devices and the disruptive information from Byzantine devices, and the learning performance degrades significantly when the local gradients of different devices vary considerably from each other. To overcome this limitation, we propose a new DL method to cope with Byzantine attacks based on coded robust aggregation (CRA-DL). Before training begins, the training data are allocated to the devices redundantly. During training, in each iteration, the honest devices transmit coded gradients to the server computed from the allocated training data, and the server then aggregates the information received from both honest and Byzantine devices using RBA rules. In this way, the global gradient can be approximately recovered at the server to update the global model. Compared with current DL methods applying RBA rules, the improvement of CRA-DL is attributed to the fact that the coded gradients sent by the honest devices are closer to each other. This closeness enhances the robustness of the aggregation against Byzantine attacks, since Byzantine messages tend to be significantly different from those of honest devices in this case. We theoretically analyze the convergence performance of CRA-DL. Finally, we present numerical results to verify the superiority of the proposed method over existing baselines, showing its enhanced learning performance under Byzantine attacks.
Authors: Yidi Wang, Ziyue Qiao, Jiawei Gu, Xubin Zheng, Pengyang Wang, Xiaobing Pei, Xiao Luo
Abstract: This paper studies a novel problem of out-of-distribution graph models merging, which aims to construct a generalized model from multiple graph models pre-trained on different domains with distribution discrepancy. This problem is challenging because of the difficulty in learning domain-invariant knowledge implicitly in model parameters and consolidating expertise from potentially heterogeneous GNN backbones. In this work, we propose a graph generation strategy that instantiates the mixture distribution of multiple domains. Then, we merge and fine-tune the pre-trained graph models via a MoE module and a masking mechanism for generalized adaptation. Our framework is architecture-agnostic and can operate without any source/target domain data. Both theoretical analysis and experimental results demonstrate the effectiveness of our approach in addressing the model generalization problem.
Authors: Robin Yadav, Qi Yan, Guy Wolf, Avishek Joey Bose, Renjie Liao
Abstract: A fundamental problem in organic chemistry is identifying and predicting the series of reactions that synthesize a desired target product molecule. Due to the combinatorial nature of the chemical search space, single-step reactant prediction -- i.e. single-step retrosynthesis -- remains challenging even for existing state-of-the-art template-free generative approaches to produce an accurate yet diverse set of feasible reactions. In this paper, we model single-step retrosynthesis planning and introduce RETRO SYNFLOW (RSF) a discrete flow-matching framework that builds a Markov bridge between the prescribed target product molecule and the reactant molecule. In contrast to past approaches, RSF employs a reaction center identification step to produce intermediate structures known as synthons as a more informative source distribution for the discrete flow. To further enhance diversity and feasibility of generated samples, we employ Feynman-Kac steering with Sequential Monte Carlo based resampling to steer promising generations at inference using a new reward oracle that relies on a forward-synthesis model. Empirically, we demonstrate \nameshort achieves $60.0 \%$ top-1 accuracy, which outperforms the previous SOTA by $20 \%$. We also substantiate the benefits of steering at inference and demonstrate that FK-steering improves top-$5$ round-trip accuracy by $19 \%$ over prior template-free SOTA methods, all while preserving competitive top-$k$ accuracy results.
Authors: F\'elix Lefebvre, Ga\"el Varoquaux
Abstract: Many machine learning tasks can benefit from external knowledge. Large knowledge graphs store such knowledge, and embedding methods can be used to distill it into ready-to-use vector representations for downstream applications. For this purpose, current models have however two limitations: they are primarily optimized for link prediction, via local contrastive learning, and their application to the largest graphs requires significant engineering effort due to GPU memory limits. To address these, we introduce SEPAL: a Scalable Embedding Propagation ALgorithm for large knowledge graphs designed to produce high-quality embeddings for downstream tasks at scale. The key idea of SEPAL is to ensure global embedding consistency by optimizing embeddings only on a small core of entities, and then propagating them to the rest of the graph with message passing. We evaluate SEPAL on 7 large-scale knowledge graphs and 46 downstream machine learning tasks. Our results show that SEPAL significantly outperforms previous methods on downstream tasks. In addition, SEPAL scales up its base embedding model, enabling fitting huge knowledge graphs on commodity hardware.
Authors: Wenhao Zhang, Yuexiang Xie, Yuchang Sun, Yanxi Chen, Guoyin Wang, Yaliang Li, Bolin Ding, Jingren Zhou
Abstract: Supervised Fine-Tuning (SFT) and Reinforcement Learning (RL) are two prominent post-training paradigms for refining the capabilities and aligning the behavior of Large Language Models (LLMs). Existing approaches that integrate SFT and RL often face the risk of disrupting established response patterns and inducing overfitting to expert data. To address this, we present a novel investigation into the unified view of SFT and RL through an off-policy versus on-policy lens. We propose CHORD, a framework for Controllable Harmonization of On- and Off-Policy Reinforcement Learning via Dynamic Weighting, which reframes SFT not as a separate stage but as a dynamically weighted auxiliary objective within the on-policy RL process. Based on an analysis of off-policy expert data's influence at both holistic and granular levels, we incorporate a dual-control mechanism in CHORD. Specifically, the framework first employs a global coefficient to holistically guide the transition from off-policy imitation to on-policy exploration, and then applies a token-wise weighting function that enables granular learning from the expert, which promotes on-policy exploration and mitigates disruption from off-policy data. We conduct extensive experiments across various practical tasks, providing empirical evidence that CHORD achieves a stable and efficient learning process. By effectively harmonizing off-policy expert data with on-policy exploration, CHORD demonstrates significant improvements over baselines. We release the implementation at https://github.com/modelscope/Trinity-RFT/tree/main/examples/mix_chord to inspire further research.
URLs: https://github.com/modelscope/Trinity-RFT/tree/main/examples/mix_chord
Authors: Weihua Du, Hailei Gong, Zhan Ling, Kang Liu, Lingfeng Shen, Xuesong Yao, Yufei Xu, Dingyuan Shi, Yiming Yang, Jiecao Chen
Abstract: Tool-augmented large language models (LLMs), hereafter LLM agents, leverage external tools to solve diverse tasks and interface with the real world. However, current training practices largely rely on supervised fine-tuning (SFT) over static trajectories or reinforcement learning (RL) on narrow tasks, which generalize poorly beyond development settings and lead to brittleness with new tools and unseen workflows. Because code execution reflects many structural patterns of real-world workflows, we use coding problems as a structured substrate to build tool-use agent training environments with diverse task configurations. To this end, we introduce CodeGym, a scalable framework that synthesizes diverse, verifiable, and controllable multi-turn tool-use environments for agent RL, enabling LLM agents to explore and master various workflows actively. CodeGym converts static coding problems into interactive environments by extracting atomic functions or logic into callable tools, yielding verifiable tasks that span various tool-execution workflows. Models of varying sizes and chain-of-thought configurations trained in CodeGym exhibit consistent out-of-distribution generalizability; for example, Qwen2.5-32B-Instruct achieves an absolute accuracy gain of 8.7 points on the OOD benchmark $\tau$-Bench. These results highlight CodeGym as a step toward scalable general-purpose RL environments for training tool-use behaviors that align with real-world agent workflows.
Authors: Marco Paul E. Apolinario, Kaushik Roy
Abstract: On-device learning is essential for personalization, privacy, and long-term adaptation in resource-constrained environments. Achieving this requires efficient learning, both fine-tuning existing models and continually acquiring new tasks without catastrophic forgetting. Yet both settings are constrained by high memory cost of storing activations during backpropagation. Existing activation compression methods reduce this cost but rely on repeated low-rank decompositions, introducing computational overhead. Also, such methods have not been explored for continual learning. We propose LANCE (Low-rank Activation Compression), a framework that performs one-shot higher-order Singular Value Decomposition (SVD) to obtain a reusable low-rank subspace for activation projection. This eliminates repeated decompositions, reducing both memory and computation. Moreover, fixed low-rank subspaces further enable on-device continual learning by allocating tasks to orthogonal subspaces without storing large task-specific matrices. Experiments show that LANCE reduces activation storage up to 250$\times$ while maintaining accuracy comparable to full backpropagation on CIFAR-10/100, Oxford-IIIT Pets, Flowers102, and CUB-200 datasets. On continual learning benchmarks (Split CIFAR-100, Split MiniImageNet, 5-Datasets), it performs competitively with orthogonal gradient projection methods at a fraction of the memory cost. These results position LANCE as a practical and scalable solution for efficient fine-tuning and continual learning on edge devices.
Authors: Raviteja Anantha, Soheil Hor, Teodor Nicola Antoniu, Layne C. Price
Abstract: We present NanoFlux, a novel adversarial framework for generating targeted training data to improve LLM reasoning, where adversarially-generated datasets containing fewer than 200 examples outperform conventional fine-tuning approaches. The framework employs a competitive dynamic between models alternating as Attacker and Defender, supervised by a tool-augmented Judge, synthesizing multi-step questions with explanatory annotations that target specific reasoning capabilities. Fine-tuning a 4B-parameter model on NanoFlux-generated data yields performance gains across diverse domains compared to full-benchmark fine-tuning: +5.9% on mathematical reasoning (GSMHard), +3.6% on scientific reasoning (GenomeBench), and +16.6% on medical reasoning (MultiMedQA), while reducing computational requirements by 3-14x. Ablation studies reveal a non-monotonic relationship between dataset characteristics and model performance, uncovering domain-specific optimal points for question complexity and reasoning quality. NanoFlux automates training data generation through embedding-based novelty filtering, tool-augmented evaluation, and multi-hop reasoning, suggesting that future model improvements may lie in the intelligent synthesis of small, precisely targeted training datasets.
Authors: Piotr Komorowski, Elena Golimblevskaia, Reduan Achtibat, Thomas Wiegand, Sebastian Lapuschkin, Wojciech Samek
Abstract: The capacity of Large Language Models (LLMs) to follow complex instructions and generate factually accurate text is critical for their real-world application. However, standard decoding methods often fail to robustly satisfy these requirements, while existing control techniques frequently degrade general output quality. In this work, we introduce Attribution-Guided Decoding (AGD), an interpretability-based decoding strategy. Instead of directly manipulating model activations, AGD considers a set of high-probability output token candidates and selects the one that exhibits the highest attribution to a user-defined Region of Interest (ROI). This ROI can be flexibly defined over different parts of the model's input or internal components, allowing AGD to steer generation towards various desirable behaviors. We demonstrate AGD's efficacy across three challenging domains. For instruction following, we show that AGD significantly boosts adherence (e.g., improving the overall success rate on Llama 3.1 from 66.0% to 79.1%). For knowledge-intensive tasks, we show that guiding generation towards usage of internal knowledge components or contextual sources can reduce hallucinations and improve factual accuracy in both closed-book and open-book settings. Furthermore, we propose an adaptive, entropy-based variant of AGD that mitigates quality degradation and reduces computational overhead by applying guidance only when the model is uncertain. Our work presents a versatile, more interpretable, and effective method for enhancing the reliability of modern LLMs.
Authors: Markus Krimmel, Philip Hartout, Karsten Borgwardt, Dexiong Chen
Abstract: Existing methods for evaluating graph generative models primarily rely on Maximum Mean Discrepancy (MMD) metrics based on graph descriptors. While these metrics can rank generative models, they do not provide an absolute measure of performance. Their values are also highly sensitive to extrinsic parameters, namely kernel and descriptor parametrization, making them incomparable across different graph descriptors. We introduce PolyGraph Discrepancy (PGD), a new evaluation framework that addresses these limitations. It approximates the Jensen-Shannon distance of graph distributions by fitting binary classifiers to distinguish between real and generated graphs, featurized by these descriptors. The data log-likelihood of these classifiers approximates a variational lower bound on the JS distance between the two distributions. Resulting metrics are constrained to the unit interval [0,1] and are comparable across different graph descriptors. We further derive a theoretically grounded summary metric that combines these individual metrics to provide a maximally tight lower bound on the distance for the given descriptors. Thorough experiments demonstrate that PGD provides a more robust and insightful evaluation compared to MMD metrics. The PolyGraph framework for benchmarking graph generative models is made publicly available at https://github.com/BorgwardtLab/polygraph-benchmark.
Authors: Jiachi Zhao, Zehong Wang, Yamei Liao, Chuxu Zhang, Yanfang Ye
Abstract: Graph generation is a fundamental problem in graph learning with broad applications across Web-scale systems, knowledge graphs, and scientific domains such as drug and material discovery. Recent approaches leverage diffusion models for step-by-step generation, yet unconditional diffusion offers little control over desired properties, often leading to unstable quality and difficulty in incorporating new objectives. Inference-time guidance methods mitigate these issues by adjusting the sampling process without retraining, but they remain inherently local, heuristic, and limited in controllability. To overcome these limitations, we propose TreeDiff, a Monte Carlo Tree Search (MCTS) guided dual-space diffusion framework for controllable graph generation. TreeDiff is a plug-and-play inference-time method that expands the search space while keeping computation tractable. Specifically, TreeDiff introduces three key designs to make it practical and scalable: (1) a macro-step expansion strategy that groups multiple denoising updates into a single transition, reducing tree depth and enabling long-horizon exploration; (2) a dual-space denoising mechanism that couples efficient latent-space denoising with lightweight discrete correction in graph space, ensuring both scalability and structural fidelity; and (3) a dual-space verifier that predicts long-term rewards from partially denoised graphs, enabling early value estimation and removing the need for full rollouts. Extensive experiments on 2D and 3D molecular generation benchmarks, under both unconditional and conditional settings, demonstrate that TreeDiff achieves state-of-the-art performance. Notably, TreeDiff exhibits favorable inference-time scaling: it continues to improve with additional computation, while existing inference-time methods plateau early under limited resources.
Authors: George Webber, Andrew J. Reader
Abstract: Recovering true signals from noisy measurements is a central challenge in inverse problems spanning medical imaging, geophysics, and signal processing. Current methods balance prior signal priors (regularization) with agreement with noisy data (data-fidelity). Conventional data-fidelity loss functions, such as mean-squared error (MSE) or negative log-likelihood, seek pointwise agreement with noisy measurements, often leading to overfitting to noise. In this work, we instead evaluate data-fidelity collectively by testing whether the observed measurements are statistically consistent with the noise distributions implied by the current estimate. We introduce distributional consistency (DC) loss, a data-fidelity objective that replaces pointwise matching with distribution-level calibration. DC loss acts as a direct and practical plug-in replacement for standard data consistency terms: i) it is compatible with modern unsupervised regularizers that operate without paired measurement-ground-truth data, ii) it is optimized in the same way as traditional losses, and iii) it avoids overfitting to measurement noise without early stopping or priors. Its scope naturally fits many practical inverse problems where the measurement-noise distribution is known and where the measured dataset consists of many independent noisy values. We demonstrate efficacy in two key example application areas: i) in image denoising with deep image prior, using DC instead of MSE loss removes the need for early stopping and achieves higher PSNR; ii) in medical image reconstruction from Poisson-noisy data, DC loss reduces artifacts in highly-iterated reconstructions and enhances the efficacy of hand-crafted regularization. These results position DC loss as a statistically grounded, performance-enhancing alternative to conventional fidelity losses for an important class of unsupervised noise-dominated inverse problems.
Authors: Reuben Dorent, Polina Golland, William Wells III
Abstract: Mutual Information (MI) is a fundamental measure of statistical dependence widely used in representation learning. While direct optimization of MI via its definition as a Kullback-Leibler divergence (KLD) is often intractable, many recent methods have instead maximized alternative dependence measures, most notably, the Jensen-Shannon divergence (JSD) between joint and product of marginal distributions via discriminative losses. However, the connection between these surrogate objectives and MI remains poorly understood. In this work, we bridge this gap by deriving a new, tight, and tractable lower bound on KLD as a function of JSD in the general case. By specializing this bound to joint and marginal distributions, we demonstrate that maximizing the JSD-based information increases a guaranteed lower bound on mutual information. Furthermore, we revisit the practical implementation of JSD-based objectives and observe that minimizing the cross-entropy loss of a binary classifier trained to distinguish joint from marginal pairs recovers a known variational lower bound on the JSD. Extensive experiments demonstrate that our lower bound is tight when applied to MI estimation. We compared our lower bound to state-of-the-art neural estimators of variational lower bound across a range of established reference scenarios. Our lower bound estimator consistently provides a stable, low-variance estimate of a tight lower bound on MI. We also demonstrate its practical usefulness in the context of the Information Bottleneck framework. Taken together, our results provide new theoretical justifications and strong empirical evidence for using discriminative learning in MI-based representation learning.
Authors: Prajit Bhaskaran, Tom Viering
Abstract: Bayesian clustering accounts for uncertainty but is computationally demanding at scale. Furthermore, real-world datasets often contain missing values, and simple imputation ignores the associated uncertainty, resulting in suboptimal results. We present Cluster-PFN, a Transformer-based model that extends Prior-Data Fitted Networks (PFNs) to unsupervised Bayesian clustering. Trained entirely on synthetic datasets generated from a finite Gaussian Mixture Model (GMM) prior, Cluster-PFN learns to estimate the posterior distribution over both the number of clusters and the cluster assignments. Our method estimates the number of clusters more accurately than handcrafted model selection procedures such as AIC, BIC and Variational Inference (VI), and achieves clustering quality competitive with VI while being orders of magnitude faster. Cluster-PFN can be trained on complex priors that include missing data, outperforming imputation-based baselines on real-world genomic datasets, at high missingness. These results show that the Cluster-PFN can provide scalable and flexible Bayesian clustering.
Authors: Yubo Wang, Haoyang Li, Fei Teng, Lei Chen
Abstract: Graph-based retrieval-augmented generation (Graph-based RAG) has demonstrated significant potential in enhancing Large Language Models (LLMs) with structured knowledge. However, existing methods face three critical challenges: Inaccurate Graph Construction, caused by LLM hallucination; Poor Reasoning Ability, caused by failing to generate explicit reasons telling LLM why certain chunks were selected; and Inadequate Answering, which only partially answers the query due to the inadequate LLM reasoning, making their performance lag behind NaiveRAG on certain tasks. To address these issues, we propose AGRAG, an advanced graph-based retrieval-augmented generation framework. When constructing the graph, AGRAG substitutes the widely used LLM entity extraction method with a statistics-based method, avoiding hallucination and error propagation. During retrieval, AGRAG formulates the graph reasoning procedure as the Minimum Cost Maximum Influence (MCMI) subgraph generation problem, where we try to include more nodes with high influence score, but with less involving edge cost, to make the generated reasoning paths more comprehensive. We prove this problem to be NP-hard, and propose a greedy algorithm to solve it. The MCMI subgraph generated can serve as explicit reasoning paths to tell LLM why certain chunks were retrieved, thereby making the LLM better focus on the query-related part contents of the chunks, reducing the impact of noise, and improving AGRAG's reasoning ability. Furthermore, compared with the simple tree-structured reasoning paths, our MCMI subgraph can allow more complex graph structures, such as cycles, and improve the comprehensiveness of the generated reasoning paths. The code and prompt of AGRAG are released at: https://github.com/Wyb0627/AGRAG.
Authors: Zhenyuan Huang, Hui Zhang, Wenzhong Tang, Haijun Yang
Abstract: Amid growing demands for data privacy and advances in computational infrastructure, federated learning (FL) has emerged as a prominent distributed learning paradigm. Nevertheless, differences in data distribution (such as covariate and semantic shifts) severely affect its reliability in real-world deployments. To address this issue, we propose FedSDWC, a causal inference method that integrates both invariant and variant features. FedSDWC infers causal semantic representations by modeling the weak causal influence between invariant and variant features, effectively overcoming the limitations of existing invariant learning methods in accurately capturing invariant features and directly constructing causal representations. This approach significantly enhances FL's ability to generalize and detect OOD data. Theoretically, we derive FedSDWC's generalization error bound under specific conditions and, for the first time, establish its relationship with client prior distributions. Moreover, extensive experiments conducted on multiple benchmark datasets validate the superior performance of FedSDWC in handling covariate and semantic shifts. For example, FedSDWC outperforms FedICON, the next best baseline, by an average of 3.04% on CIFAR-10 and 8.11% on CIFAR-100.
Authors: Yuxuan Gu, Weimin Bai, Yifei Wang, Weijian Luo, He Sun
Abstract: Masked auto-regressive diffusion models (MAR) benefit from the expressive modeling ability of diffusion models and the flexibility of masked auto-regressive ordering. However, vanilla MAR suffers from slow inference due to its hierarchical inference mechanism: an outer AR unmasking loop and an inner diffusion denoising chain. Such decoupled structure not only harm the generation efficiency but also hinder the practical use of MAR for reinforcement learning (RL), an increasingly critical paradigm for generative model post-training.To address this fundamental issue, we introduce MARVAL (Masked Auto-regressive Variational Acceleration), a distillation-based framework that compresses the diffusion chain into a single AR generation step while preserving the flexible auto-regressive unmasking order. Such a distillation with MARVAL not only yields substantial inference acceleration but, crucially, makes RL post-training with verifiable rewards practical, resulting in scalable yet human-preferred fast generative models. Our contributions are twofold: (1) a novel score-based variational objective for distilling masked auto-regressive diffusion models into a single generation step without sacrificing sample quality; and (2) an efficient RL framework for masked auto-regressive models via MARVAL-RL. On ImageNet 256*256, MARVAL-Huge achieves an FID of 2.00 with more than 30 times speedup compared with MAR-diffusion, and MARVAL-RL yields consistent improvements in CLIP and image-reward scores on ImageNet datasets with entity names. In conclusion, MARVAL demonstrates the first practical path to distillation and RL of masked auto-regressive diffusion models, enabling fast sampling and better preference alignments.
Authors: Sajad Khodadadian, Mehrdad Moharrami
Abstract: We derive instance-dependent tail bounds for the regret of optimism-based reinforcement learning in finite-horizon tabular Markov decision processes with unknown transition dynamics. We first study a UCBVI-type (model-based) algorithm and characterize the tail distribution of the cumulative regret $R_K$ over $K$ episodes via explicit bounds on $P(R_K \ge x)$, going beyond analyses limited to $E[R_K]$ or a single high-probability quantile. We analyze two natural exploration-bonus schedules for UCBVI: (i) a $K$-dependent scheme that explicitly incorporates the total number of episodes $K$, and (ii) a $K$-independent (anytime) scheme that depends only on the current episode index. We then complement the model-based results with an analysis of optimistic Q-learning (model-free) under a $K$-dependent bonus schedule. Across both the model-based and model-free settings, we obtain upper bounds on $P(R_K \ge x)$ with a distinctive two-regime structure: a sub-Gaussian tail starting from an instance-dependent scale up to a transition threshold, followed by a sub-Weibull tail beyond that point. We further derive corresponding instance-dependent bounds on the expected regret $E[R_K]$. The proposed algorithms depend on a tuning parameter $\alpha$, which balances the expected regret and the range over which the regret exhibits sub-Gaussian decay.
Authors: Bahrul Ilmi Nasution, Floor Eijkelboom, Mark Elliot, Richard Allmendinger, Christian A. Naesseth
Abstract: Synthetic data generation is an important tool for privacy-preserving data sharing. Although diffusion models have set recent benchmarks, flow matching (FM) offers a promising alternative. This paper presents different ways to implement FM for tabular data synthesis. We provide a comprehensive empirical study that compares flow matching (FM and variational FM) with a state-of-the-art diffusion method (TabDDPM and TabSyn) in tabular data synthesis. We evaluate both the standard Optimal Transport (OT) and the Variance Preserving (VP) probability paths, and also compare deterministic and stochastic samplers -- something possible when learning to generate using \textit{variational} FM -- characterising the empirical relationship between data utility and privacy risk. Our key findings reveal that FM, particularly TabbyFlow, outperforms diffusion baselines. Flow matching methods also achieve better performance with remarkably low function evaluations ($\leq$ 100 steps), offering a substantial computational advantage. The choice of probability path is also crucial, as using the OT is a strong default and more robust to early stopping on average, while VP has potential to produce synthetic data with lower privacy risk. Lastly, our results show that making flows stochastic not only preserves marginal distributions but, in some instances, enables the generation of high utility synthetic data with reduced disclosure risk. The implementation code associated with this paper is publicly available at https://github.com/rulnasution/tabular-flow-matching.
Authors: Alper Y{\i}ld{\i}r{\i}m, \.Ibrahim Y\"uceda\u{g}
Abstract: The role of phase in neural sequence models remains poorly understood. To isolate this question, we introduce PRISM, a complex-valued encoder that enforces a unit-norm constraint ($|z| = 1$) and replaces attention with gated spectral filtering. Under this constraint, the model cannot use activation magnitude to distinguish signal from noise, and must instead rely on phase angles. We find that semantic relationships correlate with measurable phase structure: synonym pairs exhibit significantly higher phase coherence than random pairs ($R = 0.198$ vs.\ $0.072$, $p < 0.001$), and the model resolves lexical ambiguity via layer-specific phase rotations while maintaining near-unit gain. These phase representations are robust to scalar attenuation, retaining $97\%$ of translation quality when signal magnitude is uniformly reduced. We also identify a spectral density threshold: the model fails to generate coherent output from isolated tokens, requiring minimum sequence length to produce the interference patterns that support its computation. Finally, we show that a hybrid architecture (Wave-Particle Transformer) combining a phase-based encoder with standard attention matches Transformer baselines at $33$M parameters with fewer non-embedding parameters, though we do not claim this generalizes to larger scales. Our findings provide controlled evidence that phase angles can encode semantic information in complex-valued networks, and characterize the conditions under which this encoding succeeds and fails.
Authors: Chenglong Duan, Dazhong Wu
Abstract: Part qualification in additive manufacturing (AM) ensures that additively manufactured parts can be consistently produced and reliably used in critical applications. One crucial aspect of part qualification is to determine the complex stress-strain behavior of additively manufactured parts. However, conventional part qualification techniques such as the destructive testing and non-destructive testing are costly and time consuming, especially for metal AM. To address this challenge, we develop a dynamic time warping (DTW)-transfer learning (TL) framework for AM part qualification by transferring knowledge gained from the stress-strain behaviors of additively manufactured low-cost polymers to high-performance, expensive metals. Specifically, the framework selects one single optimal polymer dataset that is the most similar to the metal dataset in the target domain using DTW among multiple polymer datasets, including Nylon, PLA, CF-ABS, and Resin. A long short-term memory (LSTM) model is then trained on one single optimal polymer dataset and tested on one of three target metal datasets, including AlSi10Mg, Ti6Al4V, and carbon steel datasets. Experimental results show that the Resin dataset is selected as the optimal polymer dataset in the source domain for the AlSi10Mg and Ti6Al4V datasets, while the Nylon dataset is selected as the optimal polymer dataset in the source domain for the carbon steel dataset. The DTWTL model trained on one single optimal polymer dataset as the source domain achieves the best predictive performance, including an average mean absolute percentage error of 12.41%, an average root mean squared error of 63.75, and an average coefficient of determination of 0.96 when three metals are used as the target domain, outperforming the vanilla LSTM model without TL as well as the TL model trained on all four polymer datasets as the source domain.
Authors: Manos Plitsis, Giorgos Bouritsas, Vassilis Katsouros, Yannis Panagakis
Abstract: Text-to-image (TTI) diffusion models have achieved remarkable visual quality, yet they have been repeatedly shown to exhibit social biases across sensitive attributes such as gender, race and age. To mitigate these biases, existing approaches frequently depend on curated prompt datasets - either manually constructed or generated with large language models (LLMs) - as part of their training and/or evaluation procedures. Beside the curation cost, this also risks overlooking unanticipated, less obvious prompts that trigger biased generation, even in models that have undergone debiasing. In this work, we introduce Bias-Guided Prompt Search (BGPS), a framework that automatically generates prompts that aim to maximize the presence of biases in the resulting images. BGPS comprises two components: (1) an LLM instructed to produce attribute-neutral prompts and (2) attribute classifiers acting on the TTI's internal representations that steer the decoding process of the LLM toward regions of the prompt space that amplify the image attributes of interest. We conduct extensive experiments on Stable Diffusion 1.5 and a state-of-the-art debiased model and discover an array of subtle and previously undocumented biases that severely deteriorate fairness metrics. Crucially, the discovered prompts are interpretable, i.e they may be entered by a typical user, quantitatively improving the perplexity metric compared to a prominent hard prompt optimization counterpart. Our findings uncover TTI vulnerabilities, while BGPS expands the bias search space and can act as a new evaluation tool for bias mitigation.
Authors: Joonwon Seo
Abstract: This monograph introduces a novel approach to polyphonic music generation by addressing the "Missing Middle" problem through structural inductive bias. Focusing on Beethoven's piano sonatas as a case study, we empirically verify the independence of pitch and hand attributes using normalized mutual information (NMI=0.167) and propose the Smart Embedding architecture, achieving a 48.30% reduction in parameters. We provide rigorous mathematical proofs using information theory (negligible loss bounded at 0.153 bits), Rademacher complexity (28.09% tighter generalization bound), and category theory to demonstrate improved stability and generalization. Empirical results show a 9.47% reduction in validation loss, confirmed by SVD analysis and an expert listening study (N=53). This dual theoretical and applied framework bridges gaps in AI music generation, offering verifiable insights for mathematically grounded deep learning.
Authors: Santosh Chapagain, MohammadReza EskandariNasab, Onur Vural, Shah Muhammad Hamdi, Soukaina Filali Boubrahimi
Abstract: Solar activity, including solar flares, coronal mass ejections (CMEs), and geomagnetic storms can significantly impact satellites, aviation, power grids, data centers, and space missions. Extreme solar events can cause substantial economic damage with limited advance warning, underscoring the importance of early warning systems, accurate forecasting, and effective education in space science. Although large language models (LLMs) perform well on general tasks, they often lack domain specific knowledge and pedagogical capability to clearly explain complex space science concepts. We introduce SolarGPT-QA, a question answering system based on a domain adapted large language model built on the LLaMA-3 base model. The model is trained using scientific literature and large scale question and answer data generated with GPT-4 and refined using Grok-3 in a student friendly storytelling style. To evaluate response quality, we employ an LLM-as-judge evaluation framework, where a strong reference model assesses generated answers using structured criteria including scientific accuracy, clarity, completeness, and pedagogical effectiveness. Results show that SolarGPT-QA performs strongly relative to general purpose models in zero shot settings and achieves competitive performance compared to instruction tuned models for educational explanations in space weather and heliophysics. Ablation studies indicate that combining domain adaptive pretraining with fine tuning is important for balancing scientific accuracy and educational effectiveness.
Authors: Hugo Math, Rainer Lienhart
Abstract: We study causal discovery from a single observed sequence of discrete events generated by a stochastic process, as encountered in vehicle logs, manufacturing systems, or patient trajectories. This regime is particularly challenging due to the absence of repeated samples, high dimensionality, and long-range temporal dependencies of the single observation during inference. We introduce TRACE, a scalable framework that repurposes autoregressive models as pretrained density estimators for conditional mutual information estimation. TRACE infers the summary causal graph between event types in a sequence, scaling linearly with the event vocabulary and supporting delayed causal effects, while being fully parallel on GPUs. We establish its theoretical identifiability under imperfect autoregressive models. Experiments demonstrate robust performance across different baselines and varying vocabulary sizes including an application to root-cause analysis in vehicle diagnostics with over 29,100 event types.
Authors: Michael Lanier, Yevgeniy Vorobeychik
Abstract: We introduce MetaDOAR, a lightweight meta-controller that augments the Double Oracle / PSRO paradigm with a learned, partition-aware filtering layer and Q-value caching to enable scalable multi-agent reinforcement learning on very large cyber-network environments. MetaDOAR learns a compact state projection from per node structural embeddings to rapidly score and select a small subset of devices (a top-k partition) on which a conventional low-level actor performs focused beam search utilizing a critic agent. Selected candidate actions are evaluated with batched critic forwards and stored in an LRU cache keyed by a quantized state projection and local action identifiers, dramatically reducing redundant critic computation while preserving decision quality via conservative k-hop cache invalidation. Empirically, MetaDOAR attains higher player payoffs than SOTA baselines on large network topologies, without significant scaling issues in terms of memory usage or training time. This contribution provide a practical, theoretically motivated path to efficient hierarchical policy learning for large-scale networked decision problems.
Authors: Afshin Khadangi
Abstract: Large language models deployed in the wild must adapt to evolving data, user behavior, and task mixtures without erasing previously acquired capabilities. In practice, this remains difficult: sequential updates induce catastrophic forgetting, while many stabilization methods rely on external procedures that are costly, brittle, or difficult to scale. We present TRC$^{2}$ (Thalamically Routed Cortical Columns), a decoder-only architecture that makes continual adaptation a property of the backbone itself. TRC$^{2}$ combines stacked cortical columns with a thalamic modulatory pathway for selective inter-column communication and a hippocampal pathway for event-selective retrieval, delayed surprise-based writing, and replay-driven consolidation. This design localizes fast plasticity while preserving a slower stable computation pathway. We further introduce a causal memory-update scheme and an online replay controller that adjusts consolidation strength from measured forgetting. Across a task-sequential language-modeling stream over C4, WikiText-103, and GSM8K, TRC$^{2}$ consistently improves task-boundary modeling quality and substantially reduces cumulative forgetting relative to Transformer, Mamba, MoE, and DeepSeek baselines trained under the same pipeline. Ablations show that the thalamic and hippocampal components are central to the retention gains, while the full model remains competitive in throughput and training cost.
Authors: Hongzhao Guan, Beste Basciftci, Pascal Van Hentenryck
Abstract: Transit Network Design is a well-studied problem in the field of transportation, typically addressed by solving optimization models under fixed demand assumptions. Considering the limitations of these assumptions, this paper proposes a new framework, namely the Two-Level Rider Choice Transit Network Design (2LRC-TND), that leverages machine learning and contextual stochastic optimization (CSO) through constraint programming (CP) to incorporate two layers of demand uncertainties into the network design process. The first level identifies travelers who rely on public transit (core demand), while the second level captures the conditional adoption behavior of those who do not (latent demand), based on the availability and quality of transit services. To capture these two types of uncertainties, 2LRC-TND relies on two travel mode choice models, that use multiple machine learning models. To design a network, 2LRC-TND integrates the resulting choice models into a CSO that is solved using a CP-SAT solver. 2LRC-TND is evaluated through a case study involving over 6,600 travel arcs and more than 38,000 trips in the Atlanta metropolitan area. The computational results demonstrate the effectiveness of the 2LRC-TND in designing transit networks that account for demand uncertainties and contextual information, offering a more realistic alternative to fixed-demand models.
Authors: Pei Yang, Wanyi Chen, Asuka Yuxi Zheng, Xueqian Li, Xiang Li, Haoqin Tu, Jie Xiao, Yifan Pang, Dongdong Zhang, Fuqiang Li, Alfred Long, Lynn Ai, Eric Yang, Bill Shi
Abstract: Large language model (LLM) agents offer a promising data-driven approach to automating Site Reliability Engineering (SRE), yet their enterprise deployment is constrained by three challenges: restricted access to proprietary data, unsafe action execution under permission-governed environments, and the inability of closed systems to improve from failures. We present AOI (Autonomous Operations Intelligence), a trainable multi-agent framework formulating automated operations as a structured trajectory learning problem under security constraints. Our approach integrates three key components. First, a trainable diagnostic system applies Group Relative Policy Optimization (GRPO) to distill expert-level knowledge into locally deployed open-source models, enabling preference-based learning without exposing sensitive data. Second, a read-write separated execution architecture decomposes operational trajectories into observation, reasoning, and action phases, allowing safe learning while preventing unauthorized state mutation. Third, a Failure Trajectory Closed-Loop Evolver mines unsuccessful trajectories and converts them into corrective supervision signals, enabling continual data augmentation. Evaluated on the AIOpsLab benchmark, our contributions yield cumulative gains. (1) The AOI runtime alone achieves 66.3% best@5 success on all 86 tasks, outperforming the prior state-of-the-art (41.9%) by 24.4 points. (2) Adding Observer GRPO training, a locally deployed 14B model reaches 42.9% avg@1 on 63 held-out tasks with unseen fault types, surpassing Claude Sonnet 4.5. (3) The Evolver converts 37 failed trajectories into diagnostic guidance, improving end-to-end avg@5 by 4.8 points while reducing variance by 35%.
Authors: Hengshuai Yao, Xing Chen, Ahmed Murtadha, Guan Wang
Abstract: Standard transformer attention uses identical dimensionality for queries, keys, and values, yet these components serve different roles: queries and keys produce scalar attention weights (selection), while values carry rich representations (value transfer). We show that selection requires only $O(\log N)$ dimensions to distinguish among $N$ relevant token categories (e.g., syntactic roles, semantic clusters, positional patterns) -- far fewer than value transfer needs. We introduce factored keys, which exploit this asymmetry to physically shrink the KV cache of any pretrained model without retraining from scratch -- unlike GQA and MLA, which must be designed into the architecture before pretraining. We factorize each key projection $W_K \approx A_{d \times r} B_{r \times d}$ via truncated SVD (where $r = d_{\text{select}}$), set $W_K' = A$ as the new key projection producing compact $r$-dimensional keys for the cache, and absorb $B^\top$ into the query projection ($W_Q' = W_Q B^\top$) at zero cost -- since queries are never cached. At 7B scale, training from scratch with $r = d_{\text{model}}/4$ matches full-attention perplexity (9.2 vs 9.3 PPL after 20B tokens) while using 12% fewer parameters and training 8% faster. For existing models, SVD + QK fine-tuning (3 epochs, less than 1% of pretraining data) achieves 75% key cache savings at approximately 2% quality cost on both GPT-2 and Mistral-7B. The approach composes with GQA and quantization for up to $16\times$ combined key cache compression. For a 7B model serving 128K context, factored keys save 25 GB of KV cache per user, enabling approximately 60% more concurrent users on identical hardware.
Authors: Hejian Sang, Yuanda Xu, Zhengze Zhou, Ran He, Zhipeng Wang, Jiachen Sun
Abstract: Reasoning models think out loud, but much of what they say is noise. We introduce OPSDC (On-Policy Self-Distillation for Reasoning Compression), a method that teaches models to reason more concisely by distilling their own concise behavior back into themselves. The entire approach reduces to one idea: condition the same model on a "be concise" instruction to obtain teacher logits, and minimize per-token reverse KL on the student's own rollouts. No ground-truth answers, no token budgets, no difficulty estimators. Just self-distillation. Yet this simplicity belies surprising sophistication: OPSDC automatically compresses easy problems aggressively while preserving the deliberation needed for hard ones. On Qwen3-8B and Qwen3-14B, we achieve 57-59% token reduction on MATH-500 while improving accuracy by 9-16 points absolute. On AIME 2024, the 14B model gains 10 points with 41% compression. The secret? Much of what reasoning models produce is not just redundant-it is actively harmful, compounding errors with every unnecessary token. Code is available at https://github.com/HJSang/OPSD_Reasoning_Compression.
Authors: Shubhangi Upasani, Chen Wu, Jay Rainton, Bo Li, Urmish Thakker, Changran Hu, Qizheng Zhang
Abstract: Test-time adaptation enables large language models (LLMs) to modify their behavior at inference without updating model parameters. A common approach is many-shot prompting, where large numbers of in-context learning (ICL) examples are injected as an input-space test-time update. Although performance can improve as more demonstrations are added, the reliability and limits of this update mechanism remain poorly understood, particularly for open-source models. We present an empirical study of many-shot prompting across tasks and model backbones, analyzing how performance varies with update magnitude, example ordering, and selection policy. We further study Dynamic and Reinforced ICL as alternative test-time update strategies that control which information is injected and how it constrains model behavior. We find that many-shot prompting is effective for structured tasks where demonstrations provide high information gain, but is highly sensitive to selection strategy and often shows limited benefits for open-ended generation tasks. Overall, we characterize the practical limits of prompt-based test-time adaptation and outline when input-space updates are beneficial versus harmful.
Authors: Yunni Qu (The University of North Carolina at Chapel Hill), Dzung Dinh (The University of North Carolina at Chapel Hill), Grant King (University of Michigan), Whitney Ringwald (University of Minnisota Twin Cities), Bing Cai Kok (The University of North Carolina at Chapel Hill), Kathleen Gates (The University of North Carolina at Chapel Hill), Aidan Wright (University of Michigan), Junier Oliva (The University of North Carolina at Chapel Hill)
Abstract: In many biomedical applications, measurements are not freely available at inference time: each laboratory test, imaging modality, or assessment incurs financial cost, time burden, or patient risk. Longitudinal active feature acquisition (LAFA) seeks to optimize predictive performance under such constraints by adaptively selecting measurements over time, yet the problem remains inherently challenging due to temporally coupled decisions (missed early measurements cannot be revisited, and acquisition choices influence all downstream predictions). Moreover, real-world clinical workflows typically begin with an initial onboarding phase, during which relatively stable contextual descriptors (e.g., demographics or baseline characteristics) are collected once and subsequently condition longitudinal decision-making. Despite its practical importance, the efficient selection of onboarding context has not been studied jointly with temporally adaptive acquisition. We therefore propose REACT (Relaxed Efficient Acquisition of Context and Temporal features), an end-to-end differentiable framework that simultaneously optimizes (i) selection of onboarding contextual descriptors and (ii) adaptive feature--time acquisition plans for longitudinal measurements under cost constraints. REACT employs a Gumbel--Sigmoid relaxation with straight-through estimation to enable gradient-based optimization over discrete acquisition masks, allowing direct backpropagation from prediction loss and acquisition cost. Across real-world longitudinal health and behavioral datasets, REACT achieves improved predictive performance at lower acquisition costs compared to existing longitudinal acquisition baselines, demonstrating the benefit of modeling onboarding and temporally coupled acquisition within a unified optimization framework.
Authors: Yuval Ran-Milo
Abstract: Transformers often display an attention sink: probability mass concentrates on a fixed, content-agnostic position. Are sinks a byproduct of the optimization/training regime? Or are they sometimes functionally necessary in softmax Transformers? Are sinks a byproduct of the optimization/training regime? Or are they sometimes functionally necessary in softmax Transformers? We prove that, in some settings, it is the latter: computing a simple trigger-conditional behavior necessarily induces a sink in softmax self-attention models. Our results formalize a familiar intuition: normalization over a probability simplex must force attention to collapse onto a stable anchor to realize a default state (e.g., when the model needs to ignore the input). We instantiate this with a concrete task: when a designated trigger token appears, the model must return the average of all preceding token representations, and otherwise output zero, a task which mirrors the functionality of attention heads in the wild (Barbero et al., 2025; Guo et al., 2024). We also prove that non-normalized ReLU attention can solve the same task without any sink, confirming that the normalization constraint is the fundamental driver of sink behavior. Experiments validate our predictions and demonstrate they extend beyond the theoretically analyzed setting: softmax models develop strong sinks while ReLU attention eliminates them in both single-head and multi-head variants.
Authors: Vincent Zhihao Zheng, \'Etienne Marcotte, Arjun Ashok, Andrew Robert Williams, Lijun Sun, Alexandre Drouin, Valentina Zantedeschi
Abstract: Context-aided forecasting (CAF) holds promise for integrating domain knowledge and forward-looking information, enabling AI systems to surpass traditional statistical methods. However, recent empirical studies reveal a puzzling gap: multimodal models often fail to outperform their unimodal counterparts. We hypothesize that this underperformance stems from poor context quality in existing datasets, as verification is challenging. To address these limitations, we introduce a semi-synthetic data augmentation method that generates contexts both descriptive of temporal dynamics and verifiably complementary to numerical histories. This approach enables massive-scale dataset creation, resulting in CAF-7M, a corpus of 7 million context-augmented time series windows, including a rigorously verified test set. We demonstrate that semi-synthetic pre-training transfers effectively to real-world evaluation, and show clear evidence of context utilization. Our results suggest that dataset quality, rather than architectural limitations, has been the primary bottleneck in context-aided forecasting.
Authors: Yuzhang Xie, Yuhua Wu, Ruiyu Wang, Fadi Nahab, Xiao Hu, Carl Yang
Abstract: Atrial fibrillation (AF) is a major complication following embolic stroke of undetermined source (ESUS), elevating the risk of recurrent stroke and mortality. Early identification is clinically important, yet existing tools face limitations in accuracy, scalability, and cost. Machine learning (ML) offers promise but is hindered by small ESUS cohorts and high-dimensional medical features. To address these challenges, we introduce supervised and unsupervised hypergraph-based pre-training strategies to improve AF prediction in ESUS patients. We first pre-train hypergraph-based patient embedding models on a large stroke cohort (7,780 patients) to capture salient features and higher-order interactions. The resulting embeddings are transferred to a smaller ESUS cohort (510 patients), reducing feature dimensionality while preserving clinically meaningful information, enabling effective prediction with lightweight models. Experiments show that both pre-training approaches outperform traditional models trained on raw data, improving accuracy and robustness. This framework offers a scalable and efficient solution for AF risk prediction after stroke.
Authors: Toby Murray
Abstract: Sensitivity-based robustness certification has emerged as a practical approach for certifying neural network robustness, including in settings that require verifiable guarantees. A key advantage of these methods is that certification is performed by concrete numerical computation (rather than symbolic reasoning) and scales efficiently with network size. However, as with the vast majority of prior work on robustness certification and verification, the soundness of these methods is typically proved with respect to a semantic model that assumes exact real arithmetic. In reality deployed neural network implementations execute using floating-point arithmetic. This mismatch creates a semantic gap between certified robustness properties and the behaviour of the executed system. As motivating evidence, we exhibit concrete counterexamples showing that real arithmetic robustness guarantees can fail under floating-point execution, even for previously verified certifiers, with discrepancies becoming pronounced at lower-precision formats such as float16. We then develop a formal, compositional theory relating real arithmetic Lipschitz-based sensitivity bounds to the sensitivity of floating-point execution under standard rounding-error models, specialised to feed-forward neural networks with ReLU activations. We derive sound conditions for robustness under floating-point execution, including bounds on certificate degradation and sufficient conditions for the absence of overflow. We formalize the theory and its main soundness results, and implement an executable certifier based on these principles, which we empirically evaluate to demonstrate its practicality.
Authors: Naaisha Agarwal, Yihan Wu, Yichang Jian, Yikuan Hu, Nishad Mansoor, Mohan Li, Yifei Peng, Wang-Zhou Dai, Yao-Xiang Ding, Emanuele Sansone
Abstract: Building AI systems that can plan, act, and create in the physical world requires more than pattern recognition. Such systems must understand the causal mechanisms and constraints governing physical processes in order to guide sequential decisions. This capability relies on internal representations, analogous to an internal language model, that relate observations, actions, and resulting environmental changes. However, many existing benchmarks treat visual perception and programmatic reasoning as separate problems, focusing either on visual recognition or on symbolic tasks. The domain of origami provides a natural testbed that integrates these modalities. Constructing shapes through folding operations requires visual perception, reasoning about geometric and physical constraints, and sequential planning, while remaining sufficiently structured for systematic evaluation. We introduce OrigamiBench, an interactive benchmark in which models iteratively propose folds and receive feedback on physical validity and similarity to a target configuration. Experiments with modern vision-language models show that scaling model size alone does not reliably produce causal reasoning about physical transformations. Models fail to generate coherent multi-step folding strategies, suggesting that visual and language representations remain weakly integrated.
Authors: Gongzheng Tang, Qinghao Zhao, Guangkun Nie, Yujie Xiao, Shijia Geng, Donglin Xie, Shun Huang, Deyun Zhang, Xingchen Yao, Jinwei Wang, Kangyin Chen, Luxia Zhang, Shenda Hong
Abstract: Hyperkalemia is a life-threatening electrolyte disorder that is common in patients with chronic kidney disease and heart failure, yet frequent monitoring remains difficult outside hospital settings. We developed and validated Pocket-K, a single-lead AI-ECG system initialized from the ECGFounder foundation model for non-invasive hyperkalemia screening and handheld deployment. In this multicentre observational study using routinely collected clinical ECG and laboratory data, 34,439 patients contributed 62,290 ECG--potassium pairs. Lead I data were used to fine-tune the model. Data from Peking University People's Hospital were divided into development and temporal validation sets, and data from The Second Hospital of Tianjin Medical University served as an independent external validation set. Hyperkalemia was defined as venous serum potassium > 5.5 mmol/L. Pocket-K achieved AUROCs of 0.936 in internal testing, 0.858 in temporal validation, and 0.808 in external validation. For KDIGO-defined moderate-to-severe hyperkalemia (serum potassium >= 6.0 mmol/L), AUROCs increased to 0.940 and 0.861 in the temporal and external sets, respectively. External negative predictive value exceeded 99.3%. Model-predicted high risk below the hyperkalemia threshold was more common in patients with chronic kidney disease and heart failure. A handheld prototype enabled near-real-time inference, supporting future prospective evaluation in native handheld and wearable settings.
Authors: Haifeng Wen, Osvaldo Simeone, Hong Xing
Abstract: Deploying trustworthy AI systems requires principled uncertainty quantification. Conformal prediction (CP) is a widely used framework for constructing prediction sets with distribution-free coverage guarantees. In many practical settings, including healthcare, finance, and mobile sensing, the calibration data required for CP are distributed across multiple clients, each with its own local data distribution. In this federated setting, data can often be partitioned into, potentially overlapping, groups, which may reflect client-specific strata or cross-cutting attributes such as demographic or semantic categories. We propose group-conditional federated conformal prediction (GC-FCP), a novel protocol that provides group-conditional coverage guarantees. GC-FCP constructs mergeable, group-stratified coresets from local calibration scores, enabling clients to communicate compact weighted summaries that support efficient aggregation and calibration at the server. Experiments on synthetic and real-world datasets validate the performance of GC-FCP compared to centralized calibration baselines.
Authors: Caiyun Liu, Xiaoxue Luo, Jie Xiong
Abstract: Implicit Neural Representations (INRs) have emerged as a powerful paradigm for representing continuous signals independently of grid resolution. In this paper, we propose a high-fidelity neural compression framework based on a SIREN (Sinusoidal Representation Networks) auto-decoder to represent multi-structural seismic velocity models from the OpenFWI benchmark. Our method compresses each 70x70 velocity map (4,900 points) into a compact 256-dimensional latent vector, achieving a compression ratio of 19:1. We evaluate the framework on 1,000 samples across five diverse geological families: FlatVel, CurveVel, FlatFault, CurveFault, and Style. Experimental results demonstrate an average PSNR of 32.47 dB and SSIM of 0.956, indicating high-quality reconstruction. Furthermore, we showcase two key advantages of our implicit representation: (1) smooth latent space interpolation that generates plausible intermediate velocity structures, and (2) zero-shot super-resolution capability that reconstructs velocity fields at arbitrary resolutions up to 280x280 without additional training. The results highlight the potential of INR-based auto-decoders for efficient storage, multi-scale analysis, and downstream geophysical applications such as full waveform inversion.
Authors: Yu Hao, Qiuyu Wang, Cheng Yang, Yawen Li, Zhiqiang Zhang, Chuan Shi
Abstract: Large language models (LLMs) facilitate the development of autonomous agents. As a core component of such agents, task planning aims to decompose complex natural language requests into concrete, solvable sub-tasks. Since LLM-generated plans are frequently prone to hallucinations and sensitive to long-context prom-pts, recent research has introduced plan verifiers to identify and correct potential flaws. However, most existing approaches still rely on an LLM as the verifier via additional prompting for plan review or self-reflection. LLM-based verifiers can be misled by plausible narration and struggle to detect failures caused by structural relations across steps, such as type mismatches, missing intermediates, or broken dependencies. To address these limitations, we propose a graph-based verifier for LLM task planning. Specifically, the proposed method has four major components: Firstly, we represent a plan as a directed graph with enriched attributes, where nodes denote sub-tasks and edges encode execution order and dependency constraints. Secondly, a graph neural network (GNN) then performs structural evaluation and diagnosis, producing a graph-level plausibility score for plan acceptance as well as node/edge-level risk scores to localize erroneous regions. Thirdly, we construct controllable perturbations from ground truth plan graphs, and automatically generate training data with fine-grained annotations. Finally, guided by the feedback from our GNN verifier, we enable an LLM to conduct local edits (e.g., tool replacement or insertion) to correct the plan when the graph-level score is insufficient. Extensive experiments across diverse datasets, backbone LLMs, and planners demonstrate that our GNNVerifier achieves significant gains in improving plan quality. Our data and code is available at https://github.com/BUPT-GAMMA/GNNVerifier.
Authors: Ziqing Ma, Kai Ying, Xinyue Gu, Tian Zhou, Tianyu Zhu, Haifan Zhang, Peisong Niu, Wang Zheng, Cong Bai, Liang Sun
Abstract: Accurate day-ahead solar irradiance forecasting is essential for integrating solar energy into the power grid. However, it remains challenging due to the pronounced diurnal cycle and inherently complex cloud dynamics. Current methods either lack fine-scale resolution (e.g., numerical weather prediction, weather foundation models) or degrade at longer lead times (e.g., satellite extrapolation). We propose Baguan-solar, a two-stage multimodal framework that fuses forecasts from Baguan, a global weather foundation model, with high-resolution geostationary satellite imagery to produce 24- hour irradiance forecasts at kilometer scale. Its decoupled two-stage design first forecasts day-night continuous intermediates (e.g., cloud cover) and then infers irradiance, while its modality fusion jointly preserves fine-scale cloud structures from satellite and large-scale constraints from Baguan forecasts. Evaluated over East Asia using CLDAS as ground truth, Baguan-solar outperforms strong baselines (including ECMWF IFS, vanilla Baguan, and SolarSeer), reducing RMSE by 16.08% and better resolving cloud-induced transients. An operational deployment of Baguan-solar has supported solar power forecasting in an eastern province in China, since July 2025. Our code is accessible at https://github.com/DAMO-DI-ML/Baguansolar. git.
Authors: Sumedha Chugh, Ranjitha Prasad, Nazreen Shah
Abstract: Trust and ethical concerns due to the widespread deployment of opaque machine learning (ML) models motivating the need for reliable model explanations. Post-hoc model-agnostic explanation methods addresses this challenge by learning a surrogate model that approximates the behavior of the deployed black-box ML model in the locality of a sample of interest. In post-hoc scenarios, neither the underlying model parameters nor the training are available, and hence, this local neighborhood must be constructed by generating perturbed inputs in the neighborhood of the sample of interest, and its corresponding model predictions. We propose \emph{Expected Active Gain for Local Explanations} (\texttt{EAGLE}), a post-hoc model-agnostic explanation framework that formulates perturbation selection as an information-theoretic active learning problem. By adaptively sampling perturbations that maximize the expected information gain, \texttt{EAGLE} efficiently learns a linear surrogate explainable model while producing feature importance scores along with the uncertainty/confidence estimates. Theoretically, we establish that cumulative information gain scales as $\mathcal{O}(d \log t)$, where $d$ is the feature dimension and $t$ represents the number of samples, and that the sample complexity grows linearly with $d$ and logarithmically with the confidence parameter $1/\delta$. Empirical results on tabular and image datasets corroborate our theoretical findings and demonstrate that \texttt{EAGLE} improves explanation reproducibility across runs, achieves higher neighborhood stability, and improves perturbation sample quality as compared to state-of-the-art baselines such as Tilia, US-LIME, GLIME and BayesLIME.
Authors: Hideaki Iiduka
Abstract: Muon is a recently proposed optimizer that enforces orthogonality in parameter updates by projecting gradients onto the Stiefel manifold, leading to stable and efficient training in large-scale deep neural networks. Meanwhile, the previously reported results indicated that stochastic noise in practical machine learning may exhibit heavy-tailed behavior, violating the bounded-variance assumption. In this paper, we consider the problem of minimizing a nonconvex H\"{o}lder-smooth empirical risk that works well with the heavy-tailed stochastic noise. We then show that Muon converges to a stationary point of the empirical risk under the boundedness condition accounting for heavy-tailed stochastic noise. In addition, we show that Muon converges faster than mini-batch SGD.
Authors: Gal Dalal, Assaf Hallak, Gal Chechik, Yftah Ziser
Abstract: Wider beam search should improve LLM reasoning, but when should you stop widening? Prior work on beam width selection has focused on inference efficiency \citep{qin2025dsbd, freitag2017beam}, without analyzing whether wider search can \emph{hurt} output quality. We present an analysis, grounded in Extreme Value Theory, that answers this question. Beam selection over noisy scorer outputs introduces a systematic overestimation bias that grows with the candidate pool size, and we derive a maximum useful beam width $\hat{k}$ beyond which search degrades performance. This critical width depends on the signal-to-noise ratio of the scorer: $\hat{k}$ grows exponentially with $(\Delta/\sigma)^2$, where $\Delta > 0$ is the quality advantage of correct paths over incorrect ones and $\sigma$ is the scorer noise. We validate this theory by comparing perplexity-guided and PRM-guided beam search across three 7B-parameter models and ten domains on MR-BEN (5,975 questions). Perplexity scoring, with its high noise, yields $\hat{k} = 1$: search provides no benefit at any width tested. PRM scoring, with lower noise, yields $\hat{k} \geq 4$, with gains of up to 8.9 percentage points. The same model, the same algorithm, but different scorers place $\hat{k}$ at opposite ends of the beam width range. Our analysis identifies the scorer's signal-to-noise ratio as the key quantity governing beam width selection, and we propose diagnostic indicators for choosing the beam width in practice.
Authors: Seth Karten, Jake Grigsby, Tersoo Upaa Jr, Junik Bae, Seonghun Hong, Hyunyoung Jeong, Jaeyoon Jung, Kun Kerdthaisong, Gyungbo Kim, Hyeokgi Kim, Yujin Kim, Eunju Kwon, Dongyu Liu, Patrick Mariglia, Sangyeon Park, Benedikt Schink, Xianwei Shi, Anthony Sistilli, Joseph Twin, Arian Urdu, Matin Urdu, Qiao Wang, Ling Wu, Wenli Zhang, Kunsheng Zhou, Stephanie Milani, Kiran Vodrahalli, Amy Zhang, Fei Fang, Yuke Zhu, Chi Jin
Abstract: We present the PokeAgent Challenge, a large-scale benchmark for decision-making research built on Pokemon's multi-agent battle system and expansive role-playing game (RPG) environment. Partial observability, game-theoretic reasoning, and long-horizon planning remain open problems for frontier AI, yet few benchmarks stress all three simultaneously under realistic conditions. PokeAgent targets these limitations at scale through two complementary tracks: our Battling Track, which calls for strategic reasoning and generalization under partial observability in competitive Pokemon battles, and our Speedrunning Track, which requires long-horizon planning and sequential decision-making in the Pokemon RPG. Our Battling Track supplies a dataset of 20M+ battle trajectories alongside a suite of heuristic, RL, and LLM-based baselines capable of high-level competitive play. Our Speedrunning Track provides the first standardized evaluation framework for RPG speedrunning, including an open-source multi-agent orchestration system for modular, reproducible comparisons of harness-based LLM approaches. Our NeurIPS 2025 competition validates both the quality of our resources and the research community's interest in Pokemon, with over 100 teams competing across both tracks and winning solutions detailed in our paper. Participant submissions and our baselines reveal considerable gaps between generalist (LLM), specialist (RL), and elite human performance. Analysis against the BenchPress evaluation matrix shows that Pokemon battling is nearly orthogonal to standard LLM benchmarks, measuring capabilities not captured by existing suites and positioning Pokemon as an unsolved benchmark that can drive RL and LLM research forward. We transition to a living benchmark with a live leaderboard for Battling and self-contained evaluation for Speedrunning at https://pokeagentchallenge.com.
Authors: Vasiliy A. Es'kin, Egor V. Ivanov
Abstract: Physics-informed neural networks (PINNs) and neural operators (NOs) for solving the problem of diffraction of Extreme Ultraviolet (EUV) electromagnetic waves from contemporary lithography masks are presented. A novel hybrid Waveguide Neural Operator (WGNO) is introduced, based on a waveguide method with its most computationally expensive components replaced by a neural network. To evaluate performance, the accuracy and inference time of PINNs and NOs are compared against modern numerical solvers for a series of problems with known exact solutions. The emphasis is placed on investigation of solution accuracy by considered artificial neural systems for 13.5 nm and 11.2 nm wavelengths. Numerical experiments on realistic 2D and 3D masks demonstrate that PINNs and neural operators achieve competitive accuracy and significantly reduced prediction times, with the proposed WGNO architecture reaching state-of-the-art performance. The presented neural operator has pronounced generalizing properties, meaning that for unseen problem parameters it delivers a solution accuracy close to that for parameters seen in the training dataset. These results provide a highly efficient solution for accelerating the design and optimization workflows of next-generation lithography masks.
Authors: Kishan KC, Rui Li, Paribesh Regmi, Anne R. Haake
Abstract: Heterogeneous molecular entities and their interactions, commonly depicted as a network, are crucial for advancing our systems-level understanding of biology. With recent advancements in high-throughput data generation and a significant improvement in computational power, graph neural networks (GNNs) have demonstrated their effectiveness in predicting biomedical interactions. Since GNNs follow a neighborhood aggregation scheme, the number of graph convolution (GC) layers (i.e., depth) determines the neighborhood orders from which they can aggregate information, thereby significantly impacting the model's performance. However, it often relies on heuristics or extensive experimentation to determine an appropriate GNN depth for a given biomedical network. These methods can be unreliable or result in expensive computational overhead. Moreover, GNNs with more GC layers tend to exhibit poor calibration, leading to high confidence in incorrect predictions. To address these challenges, we propose a Bayesian model selection framework to jointly infer the most plausible number of GC layers supported by the data, apply dropout regularization, and learn network parameters. Experiments on four biomedical interaction datasets demonstrate that our method achieves superior performance over competing methods, providing well-calibrated predictions by allowing GNNs to adapt their depths to accommodate interaction information from various biomedical networks. Source code and data is available at: https://github.com/kckishan/BBGCN-LP/tree/master
Authors: R. Patrick Xian, Ryan J. Morelock, Ido Hadar, Charles B. Musgrave, Christopher Sutton
Abstract: Understanding the spatial arrangements of atom-centered coordination octahedra is crucial for relating structures to properties for many materials families. Traditional case-by-case inspection becomes a prohibitive task for discovering trends and similarities in large datasets. Here, we operationalize chemical intuition to automate the geometric parsing, quantification, and classification of coordination octahedral networks using unsupervised machine learning. We apply the workflow to analyze two datasets to demonstrate its effectiveness. For computationally generated single oxide perovskite (ABO$_{3}$) polymorphs, we uncover axis-dependent tilting trends which assist in detecting oxidation state changes. For hybrid iodoplumbates (A$_x$Pb$_y$I$_z$) from measured structures, we taxonomize their octahedral networks, revealing a Pauling-like connectivity rule for the coordination environment and the design principles underpinning their structural diversity. Our results offer a glimpse into the vast design space of atomic octahedral networks in materials chemistry and inform high-throughput, targeted screening of specific structure types.
Authors: Holden Lee, Matheau Santana-Gijzen
Abstract: We prove bounds on the variance of a function $f$ under the empirical measure of the samples obtained by the Sequential Monte Carlo (SMC) algorithm, with time complexity depending on local rather than global Markov chain mixing dynamics. SMC is a Markov Chain Monte Carlo (MCMC) method, which starts by drawing $N$ particles from a known distribution, and then, through a sequence of distributions, re-weights and re-samples the particles, at each instance applying a Markov chain for smoothing. In principle, SMC tries to alleviate problems from multi-modality. However, most theoretical guarantees for SMC are obtained by assuming global mixing time bounds, which are only efficient in the uni-modal setting. We show that bounds can be obtained in the truly multi-modal setting, with mixing times that depend only on local MCMC dynamics.
Authors: Bailey Andrew, Erica L. Harris, James A. Poulter, David R. Westhead, Luisa Cutillo
Abstract: Motivation: Networks underlie the generation and interpretation of many biological datasets: gene networks shed light on the regulatory structure of the genome, and cell networks can capture structure of the tumor micro-environment. However, most methods that learn such networks make the faulty 'independence assumption'; to learn the gene network, they assume that no cell network exists. 'Multi-axis' methods, which do not make this assumption, fail to scale beyond a few thousand cells or genes. This limits their applicability to only the smallest datasets. Results: We develop a multi-axis method capable of processing million-cell datasets within minutes. This was previously impossible, and unlocks the use of such methods on modern scRNA-seq datasets, as well as more complex datasets. We show that our method yields novel biological insights from real single-cell data, and compares favorably to the existing hdWGCNA methodology. In particular, it identifies long non-coding RNA genes that potentially have a regulatory or functional role in neuronal development. Availability and implementation: Our methodology is available as a Python package GmGM on PyPI (https://pypi.org/project/GmGM/0.5.3/). The code for all experiments performed in this paper is available on GitHub (https://github.com/BaileyAndrew/GmGM-Bioinformatics). Contact: sceba@leeds.ac.uk Supplementary information: Our proofs, and some additional experiments, are available in the supplementary material. Keywords: gaussian graphical models, multi-axis models, transcriptomics, multi-omics, scalability
URLs: https://pypi.org/project/GmGM/0.5.3/)., https://github.com/BaileyAndrew/GmGM-Bioinformatics).
Authors: Hira Saleem, Flora Salim, Cormac Purcell
Abstract: Physics-based Earth system models (ESMs) are essential for attributing climate change and generating scenario projections, yet their reliance on high-resolution numerical integration makes multi-decadal experiments expensive. In parallel, deep learning has delivered strong gains in short-range weather forecasting; however, auto-regressive roll-outs can accumulate error and become unstable when extended to decade-scale climate emulation. We introduce A-UTE: Advection Informed, Uncertainty Aware Temperature Emulator, aimed at stable multi-year emulation across heterogeneous climate models and grid resolutions. A-UTE is trained on various physics-based models at varying spatial resolutions to emulate temperature fields over a 10-year horizon. A-UTE formulates climate emulation as a forward-time stochastic dynamical system. We propose an auto-regressive ODE-SDE surrogate in which transport dynamics are constrained by an advection consistent ODE component, while a learned neural SDE term models coarse-grained variability and cross-model discrepancy at monthly resolution. We train A-UTE under negative log-likelihood objective for principled uncertainty estimates and probabilistic evaluation. Experiments across 20 climate models show that A-UTE improves long roll-out stability and accuracy relative to relevant baselines, advancing data-driven climate emulation with explicit physical structure and uncertainty-aware predictions.
Authors: Qizhi Chen, Delin Qu, Junli Liu, Yiwen Tang, Haoming Song, Dong Wang, Yuan Yuan, Bin Zhao
Abstract: Reconstructing controllable Gaussian splats for articulated objects from monocular video is especially challenging due to its inherently insufficient constraints. Existing methods address this by relying on dense masks and manually defined control signals, limiting their real-world applications. In this paper, we propose an annotation-free method, FreeGaussian, which mathematically disentangles camera egomotion and articulated movements via flow derivatives. By establishing a connection between 2D flows and 3D Gaussian dynamic flow, our method enables optimization and continuity of dynamic Gaussian motions from flow priors without any control signals. Furthermore, we introduce a 3D spherical vector controlling scheme, which represents the state as a 3D Gaussian trajectory, thereby eliminating the need for complex 1D control signal calculations and simplifying controllable Gaussian modeling. Extensive experiments on articulated objects demonstrate the state-of-the-art visual performance and precise, part-aware controllability of our method. Code is available at: https://github.com/Tavish9/freegaussian.
Authors: Ziqi Gao, Weikai Huang, Jieyu Zhang, Aniruddha Kembhavi, Ranjay Krishna
Abstract: Recent advances in text-to-vision generation excel in visual fidelity but struggle with compositional generalization and semantic alignment. Existing datasets are noisy and weakly compositional, limiting models' understanding of complex scenes, while scalable solutions for dense, high-quality annotations remain a challenge. We introduce Generate Any Scene, a data engine that systematically enumerates scene graphs representing the combinatorial array of possible visual scenes. Generate Any Scene dynamically constructs scene graphs of varying complexity from a structured taxonomy of objects, attributes, and relations. Given a sampled scene graph, Generate Any Scene translates it into a caption for text-to-image or text-to-video generation; it also translates it into a set of visual question answers that allow automatic evaluation and reward modeling of semantic alignment. Using Generate Any Scene, we first design a self-improving framework where models iteratively enhance their performance using generated data. Stable Diffusion v1.5 achieves an average 4% improvement over baselines and surpassing fine-tuning on CC3M. Second, we also design a distillation algorithm to transfer specific strengths from proprietary models to their open-source counterparts. Using fewer than 800 synthetic captions, we fine-tune Stable Diffusion v1.5 and achieve a 10% increase in TIFA score on compositional and hard concept generation. Third, we create a reward model to align model generation with semantic accuracy at a low cost. Using GRPO algorithm, we fine-tune SimpleAR-0.5B-SFT and surpass CLIP-based methods by +5% on DPG-Bench. Finally, we apply these ideas to the downstream task of content moderation where we train models to identify challenging cases by learning from synthetic data.
Authors: Sebastian Stober, Tim W. Dornis
Abstract: Training generative AI models requires extensive amounts of data. A common practice is to collect such data through web scraping. Yet, much of what has been and is collected is copyright protected. Its use may be copyright infringement. In the USA, AI developers rely on "fair use" and in Europe, the prevailing view is that the exception for "Text and Data Mining" (TDM) applies. In a recent interdisciplinary tandem-study, we have argued in detail that this is actually not the case because generative AI training fundamentally differs from TDM. In this article, we share our main findings and the implications for both public and corporate research on generative models. We further discuss how the phenomenon of training data memorization leads to copyright issues independently from the "fair use" and TDM exceptions. Finally, we outline how the ISMIR could contribute to the ongoing discussion about fair practices with respect to generative AI that satisfy all stakeholders.
Authors: Xuran Meng, Yi Li
Abstract: While deep neural networks (DNNs) are used for prediction, inference on DNN-estimated subject-specific means for categorical or exponential family outcomes remains underexplored. We address this by proposing a DNN estimator under generalized nonparametric regression models (GNRMs) and developing a rigorous inference framework. Unlike existing approaches that assume independence between estimation errors and inputs to establish the error bound, a condition often violated in GNRMs, we allow for dependence and our theoretical analysis demonstrates the feasibility of drawing inference under GNRMs. To implement inference, we consider an Ensemble Subsampling Method (ESM) that leverages U-statistics and the Hoeffding decomposition to construct reliable confidence intervals for DNN estimates. We show that, under GNRM settings, ESM enables model-free variance estimation and accounts for heterogeneity among individuals in the population. Through simulations under nonparametric logistic, Poisson, and binomial regression models, we demonstrate the effectiveness and efficiency of our method. We further apply the method to the electronic Intensive Care Unit (eICU) dataset, a large scale collection of anonymized health records from ICU patients, to predict ICU readmission risk and offer patient-centric insights for clinical decision making.
Authors: Xiao Zhu, Chenmien Tan, Pinzhen Chen, Rico Sennrich, Huiming Wang, Yanlin Zhang, Hanxu Hu
Abstract: Reward models (RMs) play a crucial role in Reinforcement Learning from Human Feedback by serving as proxies for human preferences in aligning large language models. However, they suffer from various biases which could lead to reward hacking. In this paper, we identify a model preference bias in RMs, where they systematically assign disproportionately high scores to responses from certain policy models, leading to unfair judgments. To mitigate this bias, we propose a calibration method named CHatbot Arena calibrated Reward Modeling (CHARM) that leverages Elo scores from the Chatbot Arena to construct debiased preference datasets and adjust reward model scoring. We conduct extensive experiments on reward model benchmarks and human preference alignment. Results demonstrate that our calibrated RMs achieve improved evaluation accuracy on RM-Bench and the Chat-Hard domain of RewardBench, exhibit a stronger correlation with human preferences by producing scores more closely aligned with Elo rankings and improve downstream post-training performance. These results demonstrate that CHARM provides a simple, effective, and broadly applicable approach to building more reliable and fair reward models.
Authors: Lea Kunkel, Mathias Trabs
Abstract: Flow Matching has recently gained attention in generative modeling as a simple and flexible alternative to diffusion models. While existing statistical guarantees adapt tools from the analysis of diffusion models, we take a different perspective by connecting Flow Matching to kernel density estimation. We first verify that the kernel density estimator matches the optimal rate of convergence in Wasserstein distance up to logarithmic factors, improving existing bounds for the Gaussian kernel. Based on this result, we prove that for sufficiently large networks, Flow Matching achieves the optimal rate up to logarithmic factors. If the target distribution lies on a lower-dimensional manifold, we show that the kernel density estimator profits from the smaller intrinsic dimension on a small tube around the manifold. The faster rate also applies to Flow Matching, providing a theoretical foundation for its empirical success in high-dimensional settings.
Authors: Wei-Bang Jiang, Xi Fu, Yi Ding, Cuntai Guan
Abstract: Multimodal physiological signals, such as EEG, ECG, EOG, and EMG, are crucial for healthcare and brain-computer interfaces. While existing methods rely on specialized architectures and dataset-specific fusion strategies, they struggle to learn universal representations that generalize across datasets and handle missing modalities at inference time. To address these issues, we propose PhysioOmni, a foundation model for multimodal physiological signal analysis that models both homogeneous and heterogeneous features to decouple multimodal signals and extract generic representations while maintaining compatibility with arbitrary missing modalities. PhysioOmni trains a decoupled multimodal tokenizer, enabling masked signal pre-training via modality-invariant and modality-specific objectives. To ensure adaptability to diverse and incomplete modality combinations, the pre-trained encoders undergo resilient fine-tuning with prototype alignment on downstream datasets. Extensive experiments on four downstream tasks, emotion recognition, sleep stage classification, motor prediction, and mental workload detection, demonstrate that PhysioOmni achieves state-of-the-art performance while maintaining strong robustness to missing modalities. Our code and model weights will be released.
Authors: James Read, Ming-Yen Lee, Wei-Hsing Huang, Yuan-Chun Luo, Anni Lu, Shimeng Yu
Abstract: The exponential growth of artificial intelligence (AI) applications has exposed the inefficiency of conventional von Neumann architectures, where frequent data transfers between compute units and memory create significant energy and latency bottlenecks. Analog Computing-in-Memory (ACIM) addresses this challenge by performing multiply-accumulate (MAC) operations directly in the memory arrays, substantially reducing data movement. However, designing robust ACIM accelerators requires accurate modeling of device- and circuit-level non-idealities. In this work, we present NeuroSim V1.5, introducing several key advances: (1) seamless integration with TensorRT's post-training quantization flow enabling support for more neural networks including transformers, (2) a flexible noise injection methodology built on pre-characterized statistical models, making it straightforward to incorporate data from SPICE simulations or silicon measurements, (3) expanded device support including emerging non-volatile capacitive memories, and (4) up to 6.5x faster runtime than NeuroSim V1.4 through optimized behavioral simulation. The combination of these capabilities uniquely enables systematic design space exploration across both accuracy and hardware efficiency metrics. Through multiple case studies, we demonstrate optimization of critical design parameters while maintaining network accuracy. By bridging high-fidelity noise modeling with efficient simulation, NeuroSim V1.5 advances the design and validation of next-generation ACIM accelerators. All NeuroSim versions are available open-source at https://github.com/neurosim/NeuroSim.
Authors: Javier Salazar Cavazos, Jeffrey A. Fessler, Laura Balzano
Abstract: Principal component analysis (PCA) is a key tool in the field of data dimensionality reduction. However, some applications involve heterogeneous data that vary in quality due to noise characteristics associated with each data sample. Heteroscedastic methods aim to deal with such mixed data quality. This paper develops a subspace learning method, named ALPCAH, that can estimate the sample-wise noise variances and use this information to improve the estimate of the subspace basis associated with the low-rank structure of the data. Our method makes no distributional assumptions of the low-rank component and does not assume that the noise variances are known. Further, this method uses a soft rank constraint that does not require subspace dimension to be known. Additionally, this paper develops a matrix factorized version of ALPCAH, named LR-ALPCAH, that is much faster and more memory efficient at the cost of requiring subspace dimension to be known or estimated. Simulations and real data experiments show the effectiveness of accounting for data heteroscedasticity compared to existing algorithms. Code available at https://github.com/javiersc1/ALPCAH.
Authors: Leighton Pate Barnes, Stephen Cameron, Benjamin Howard
Abstract: We describe an algorithm for sampling a low-rank random matrix $Q$ that best approximates a fixed target matrix $P\in\mathbb{C}^{n\times m}$ in the following sense: $Q$ is unbiased, i.e., $\mathbb{E}[Q] = P$; $\mathsf{rank}(Q)\leq r$; and $Q$ minimizes the expected Frobenius norm error $\mathbb{E}\|P-Q\|_F^2$. Our algorithm mirrors the solution to the efficient unbiased sparsification problem for vectors, except applied to the singular components of the matrix $P$. Optimality is proven by showing that our algorithm matches the error from an existing lower bound.
Authors: Mathew J. Koretsky, Maya Willey, Owen Bianchi, Chelsea X. Alvarado, Tanay Nayak, Nicole Kuznetsov, Sungwon Kim, Mike A. Nalls, Daniel Khashabi, Faraz Faghri
Abstract: Biomedical researchers increasingly rely on large-scale structured databases for complex analytical tasks. However, current text-to-SQL systems often struggle to map qualitative scientific questions into executable SQL, particularly when implicit domain reasoning is required. We introduce BiomedSQL, the first benchmark explicitly designed to evaluate scientific reasoning in text-to-SQL generation over a real-world biomedical knowledge base. BiomedSQL comprises 68,000 question/SQL query/answer triples generated from templates and grounded in a harmonized BigQuery knowledge base that integrates gene-disease associations, causal inference from omics data, and drug approval records. Each question requires models to infer domain-specific criteria, such as genome-wide significance thresholds, effect directionality, or trial phase filtering, rather than rely on syntactic translation alone. We evaluate a range of open- and closed-source LLMs across prompting strategies and interaction paradigms. Our results reveal a substantial performance gap: Gemini-3-Pro achieves 58.1% execution accuracy, while our custom multi-step agent, BMSQL, reaches 62.6%, both well below the expert baseline of 90.0%. BiomedSQL provides a new foundation for advancing text-to-SQL systems capable of supporting scientific discovery through robust reasoning over structured biomedical knowledge bases. Our dataset is publicly available at https://huggingface.co/datasets/NIH-CARD/BiomedSQL, and our code is open-source at https://github.com/NIH-CARD/biomedsql.
URLs: https://huggingface.co/datasets/NIH-CARD/BiomedSQL,, https://github.com/NIH-CARD/biomedsql.
Authors: Junghyun Lee, Yassir Jedra, Alexandre Prouti\`ere, Se-Young Yun
Abstract: We study the problem of clustering $T$ trajectories of length $H$, each generated by one of K unknown ergodic Markov chains over a finite state space of size $S$. We derive an instance-dependent, high-probability lower bound on the clustering error rate, governed by the stationary-weighted KL divergence between transition kernels. We then propose a two-stage algorithm: Stage I applies spectral clustering via a new injective Euclidean embedding for ergodic Markov chains, a contribution of independent interest enabling sharp concentration results; Stage II refines clusters with a single likelihood-based reassignment step. We prove that our algorithm achieves near-optimal clustering error with high probability under reasonable requirements on $T$ and $H$. Preliminary experiments support our approach, and we conclude with discussions of its limitations and extensions.
Authors: Payel Bhattacharjee, Fengwei Tian, Geoffrey D. Rubin, Joseph Y. Lo, Nirav Merchant, Heidi Hanson, John Gounley, Ravi Tandon
Abstract: Large Language Models (LLMs) are increasingly adopted across domains such as education, healthcare, and finance. In healthcare, LLMs support tasks including disease diagnosis, abnormality classification, and clinical decision-making. Among these, multi-abnormality classification of radiology reports is critical for clinical workflow automation and biomedical research. Leveraging strong natural language processing capabilities, LLMs enable efficient processing of unstructured medical text and reduce the administrative burden of manual report analysis. To improve performance, LLMs are often fine-tuned on private, institution-specific datasets such as radiology reports. However, this raises significant privacy concerns: LLMs may memorize training data and become vulnerable to data extraction attacks, while sharing fine-tuned models risks exposing sensitive patient information. Despite growing interest in LLMs for medical text classification, privacy-preserving fine-tuning for multi-abnormality classification remains underexplored. To address this gap, we propose a differentially private (DP) fine-tuning framework for multi-abnormality classification from free-text radiology reports. Our approach integrates differential privacy with Low-Rank Adaptation (LoRA) to efficiently fine-tune LLMs on sensitive clinical data while mitigating leakage risks. We further employ labels generated by a larger LLM to train smaller models, enabling efficient inference under strong privacy guarantees. Experiments on MIMIC-CXR and CT-RATE demonstrate the effectiveness of our DP-LoRA framework across varying privacy regimes. On MIMIC-CXR, our method achieves weighted F1-scores up to 0.89 under moderate privacy budgets, approaching non-private LoRA (0.90) and full fine-tuning (0.96), confirming that strong privacy can be achieved with only modest performance trade-offs.
Authors: Hyunjong Ok, Jaeho Lee
Abstract: Vision-language models (VLMs) can ingest only a limited number of video frames, making frame selection a practical necessity. But do current Video QA benchmarks genuinely require temporal frame selection, or can most questions be answered regardless of which frames are shown? We introduce Frame Selection Sensitivity (FSS), a per-sample diagnostic that measures how much VLM accuracy changes when the most relevant frames are replaced with the least relevant ones. Across six benchmarks and eight VLMs, we find that a large majority of samples are frame-agnostic: only a minority are genuinely sensitive to frame choice. Combining FSS with a Language Independence Score (LIS) reveals that merely 8--33% of samples are Temporally Sensitive. We construct TempCore, compact evaluation subsets that isolate these temporal samples from existing benchmarks, and will release code and per-sample annotations upon publication.
Authors: Karim Kadry, Shoaib Goraya, Ajay Manicka, Abdalla Abdelwahed, Naravich Chutisilp, Farhad Nezami, Elazer Edelman
Abstract: Generative models of 3D cardiovascular anatomy can synthesize informative structures for clinical research and medical device evaluation, but face a trade-off between geometric controllability and realism. We propose CardioComposer: a programmable, inference-time framework for generating multi-class anatomical label maps from interpretable ellipsoidal primitives. These primitives represent geometric attributes such as the size, shape, and position of discrete substructures. We specifically develop differentiable measurement functions based on voxel-wise geometric moments, enabling loss-based gradient guidance during diffusion model sampling. We demonstrate that these losses can constrain individual geometric attributes in a disentangled manner and provide compositional control over multiple substructures. Finally, we show that our method is compatible with a broad range of anatomical systems containing non-convex substructures, spanning cardiac, vascular, and skeletal organs. We release our code at https://github.com/kkadry/CardioComposer.
Authors: Federica Uccello, Simin Nadjm-Tehrani
Abstract: With the rise of fifth-generation (5G) networks in critical applications, it is urgent to move from detection of malicious activity to systems capable of providing a reliable verdict suitable for mitigation. In this regard, understanding and interpreting machine learning (ML) models' security alerts is crucial for enabling actionable incident response orchestration. Explainable Artificial Intelligence (XAI) techniques are expected to enhance trust by providing insights into why alerts are raised. Under the umbrella of XAI, interpretability of outcomes is crucially dependent on understanding the influence of specific inputs, referred to as feature attribution. {A dominant approach to feature attribution statistically associates feature sets that can be correlated to a given alert. This paper investigates its merits against the backdrop of criticism from recent literature, in comparison with feature attribution based on logic. We extensively study two methods, SHAP and VoTE-XAI, as representatives of each feature attribution approach by analyzing their interpretations of alerts generated by an XGBoost model across three 5G-relevant datasets (5G-NIDD, MSA, and PFCP) covering multiple attack scenarios. We identify three metrics for assessing explanations: sparsity, how concise they are; stability, how consistent they are across samples from the same attack type; and efficiency, how fast an explanation is generated. Our results reveal that logic-based attributions are consistently more sparse and stable across alerts. More importantly, we found a significant divergence between features selected by SHAP and VoTE-XAI. However, none of the top-ranked features selected by SHAP were missed by VoTE-XAI. Finally, we analyze the efficiency of both methods, discussing their suitability for real-time security monitoring even in high-dimensional 5G environments (478 features).
Authors: Jewon Lee, Wooksu Shin, Seungmin Yang, Ki-Ung Song, DongUk Lim, Jaeyeon Kim, Tae-Ho Kim, Bo-Kyeong Kim
Abstract: Efficient processing of high-resolution images is crucial for real-world vision-language applications. However, existing Large Vision-Language Models (LVLMs) incur substantial computational overhead due to the large number of vision tokens. With the advent of "thinking with images" models, reasoning now extends beyond text to the visual domain. This capability motivates our two-stage "coarse-to-fine" reasoning pipeline: first, a downsampled image is analyzed to identify task-relevant regions; then, only these regions are cropped at full resolution and processed in a subsequent reasoning stage. This approach reduces computational cost while preserving fine-grained visual details where necessary. A major challenge lies in inferring which regions are truly relevant to a given query. Recent related methods often fail in the first stage after input-image downsampling, due to perception-driven reasoning, where clear visual information is required for effective reasoning. To address this issue, we propose ERGO (Efficient Reasoning & Guided Observation) that performs reasoning-driven perception-leveraging multimodal context to determine where to focus. Our model can account for perceptual uncertainty, expanding the cropped region to cover visually ambiguous areas for answering questions. To this end, we develop simple yet effective reward components in a reinforcement learning framework for coarse-to-fine perception. Across multiple datasets, our approach delivers higher accuracy than the original model and competitive methods, with greater efficiency. For instance, ERGO surpasses Qwen2.5-VL-7B on the V* benchmark by 4.7 points while using only 23% of the vision tokens, achieving a 3x inference speedup. The code and models can be found at: https://github.com/nota-github/ERGO.
Authors: Sumanth Varambally, Thomas Voice, Yanchao Sun, Zhifeng Chen, Rose Yu, Ke Ye
Abstract: Large Language Models (LLMs) demonstrate impressive mathematical reasoning abilities, but their solutions frequently contain errors that cannot be automatically checked. Formal theorem proving systems such as Lean 4 offer automated verification with complete accuracy, motivating recent efforts to build specialized prover LLMs that generate verifiable proofs in formal languages. However, a significant gap remains: current prover LLMs solve substantially fewer problems than general-purpose LLMs operating in natural language. We introduce Hilbert, an agentic framework that bridges this gap by combining the complementary strengths of informal reasoning and formal verification. Our system orchestrates four components: an informal LLM that excels at mathematical reasoning, a specialized prover LLM optimized for Lean 4 tactics, a formal verifier, and a semantic theorem retriever. Given a problem that the prover is unable to solve, Hilbert employs recursive decomposition to split the problem into subgoals that it solves with the prover or reasoner LLM. It leverages verifier feedback to refine incorrect proofs as necessary. Experimental results demonstrate that Hilbert substantially outperforms existing approaches on key benchmarks, achieving 99.2\% on miniF2F, 6.6\% points above the best publicly available method. Hilbert achieves the \textbf{strongest known result} from a publicly available model on PutnamBench. It solves 462/660 problems (70.0\%), outperforming proprietary approaches like SeedProver (50.4\%) and achieving a 422\% improvement over the best publicly available baseline. Thus, Hilbert effectively narrows the gap between informal reasoning and formal proof generation. Code is available at https://github.com/Rose-STL-Lab/ml-hilbert.
Authors: Simon Welker, Lorenz Kuger, Tim Roith, Berthy Feng, Martin Burger, Timo Gerkmann, Henry Chapman
Abstract: In this work, we present and investigate the novel blind inverse problem of position-blind ptychography, i.e., ptychographic phase retrieval without any knowledge of scan positions, which then must be recovered jointly with the image. The motivation for this problem comes from single-particle diffractive X-ray imaging, where particles in random orientations are illuminated and a set of diffraction patterns is collected. If one uses a highly focused X-ray beam, the measurements would also become sensitive to the beam positions relative to each particle and therefore ptychographic, but these positions are also unknown. We investigate the viability of image reconstruction in a simulated, simplified 2-D variant of this difficult problem, using variational inference with modern data-driven image priors in the form of score-based diffusion models. We find that, with the right illumination structure and a strong prior, one can achieve reliable and successful image reconstructions even under measurement noise, in all except the most difficult evaluated imaging scenario.
Authors: Sumanth Varambally, Marshall Fisher, Jas Thakker, Yiwei Chen, Zhirui Xia, Yasaman Jafari, Ruijia Niu, Manas Jain, Veeramakali Vignesh Manivannan, Zachary Novack, Luyu Han, Srikar Eranky, Salva R\"uhling Cachay, Taylor Berg-Kirkpatrick, Duncan Watson-Parris, Yi-An Ma, Rose Yu
Abstract: Foundation models for weather science are pre-trained on vast amounts of structured numerical data and outperform traditional weather forecasting systems. However, these models lack language-based reasoning capabilities, limiting their utility in interactive scientific workflows. Large language models (LLMs) excel at understanding and generating text but cannot reason about high-dimensional meteorological datasets. We bridge this gap by building the first agentic framework for weather science. Our framework includes a Python code-based environment for agents (ZephyrusWorld) to interact with weather data, featuring tools including a WeatherBench 2 dataset indexer, geolocator for geocoding from natural language, weather forecasting, climate simulation capabilities, and a climatology module for querying precomputed climatological statistics (e.g., means, extremes, and quantiles) across multiple timescales. We design Zephyrus, a multi-turn LLM-based weather agent that iteratively analyzes weather datasets, observes results, and refines its approach through conversational feedback loops. We accompany the agent with a new benchmark, ZephyrusBench, with a scalable data generation pipeline that constructs diverse question-answer pairs across weather-related tasks, from basic lookups to advanced forecasting, extreme event detection, and counterfactual reasoning. Experiments on this benchmark demonstrate the strong performance of Zephyrus agents over text-only baselines, outperforming them by up to 44 percentage points in correctness. However, the hard tasks are still difficult even with frontier LLMs, highlighting the challenging nature of our benchmark and suggesting room for future development. Our codebase and benchmark are available at https://github.com/Rose-STL-Lab/Zephyrus.
Authors: L\'eo Boisvert, Abhay Puri, Chandra Kiran Reddy Evuru, Nazanin Sepahvand, Nicolas Chapados, Quentin Cappart, Alexandre Lacoste, Krishnamurthy Dj Dvijotham, Alexandre Drouin
Abstract: While finetuning AI agents on interaction data -- such as web browsing or tool use -- improves their capabilities, it also introduces critical security vulnerabilities within the agentic AI supply chain. We show that adversaries can effectively poison the data collection pipeline at multiple stages to embed hard-to-detect backdoors that, when triggered, cause unsafe or malicious behavior. We formalize three realistic threat models across distinct layers of the supply chain: direct poisoning of finetuning data, pre-backdoored base models, and environment poisoning, a novel attack vector that exploits vulnerabilities specific to agentic training pipelines. Evaluated on two widely adopted agentic benchmarks, all three threat models prove effective: poisoning only a small number of demonstrations is sufficient to embed a backdoor that causes an agent to leak confidential user information with over 80\% success.
Authors: Xinhu Li, Ayush Jain, Zhaojing Yang, Yigit Korkmaz, Erdem B{\i}y{\i}k
Abstract: Learning from demonstrations enables experts to teach robots complex tasks using interfaces such as kinesthetic teaching, joystick control, and sim-to-real transfer. However, these interfaces often constrain the expert's ability to demonstrate optimal behavior due to indirect control, setup restrictions, and hardware safety. For example, a joystick can move a robotic arm only in a 2D plane, even though the robot operates in a higher-dimensional space. As a result, the demonstrations collected by constrained experts lead to suboptimal performance of the learned policies. This raises a key question: Can a robot learn a better policy than the one demonstrated by a constrained expert? We address this by allowing the agent to go beyond direct imitation of expert actions and explore shorter and more efficient trajectories. We use the demonstrations to infer a state-only reward signal that measures task progress, and self-label reward for unknown states using temporal interpolation. Our approach outperforms common imitation learning in both sample efficiency and task completion time. On a real WidowX robotic arm, it completes the task in 12 seconds, 10x faster than behavioral cloning, as shown in real-robot videos on https://sites.google.com/view/constrainedexpert .
Authors: L. Elisa Celis, Lingxiao Huang, Milind Sohoni, Nisheeth K. Vishnoi
Abstract: Meritocratic systems, from admissions to hiring, aim to impartially reward skill and effort. Yet persistent disparities across race, gender, and class challenge this ideal. Some attribute these gaps to structural inequality; others to individual choice. We develop a game-theoretic model in which candidates from different socioeconomic groups differ in their perceived post-selection value--shaped by social context and, increasingly, by AI-powered tools offering personalized career or salary guidance. Each candidate strategically chooses effort, balancing its cost against expected reward; effort translates into observable merit, and selection is based solely on merit. We characterize the unique Nash equilibrium in the large-agent limit and derive explicit formulas showing how valuation disparities and institutional selectivity jointly determine effort, representation, social welfare, and utility. We further propose a cost-sensitive optimization framework that quantifies how modifying selectivity or perceived value can reduce disparities without compromising institutional goals. Our analysis reveals a perception-driven bias: when perceptions of post-selection value differ across groups, these differences translate into rational differences in effort, propagating disparities backward through otherwise "fair" selection processes. While the model is static, it captures one stage of a broader feedback cycle linking perceptions, incentives, and outcome--bridging rational-choice and structural explanations of inequality by showing how techno-social environments shape individual incentives in meritocratic systems.
Authors: Daichi Nagai, Ryugo Morita, Shunsuke Kitada, Hitoshi Iyatomi
Abstract: Despite the remarkable success of text-to-image diffusion models, their output of a single, flattened image remains a critical bottleneck for professional applications requiring layer-wise control. Existing solutions either rely on fine-tuning with large, inaccessible datasets or are training-free yet limited to generating isolated foreground elements, failing to produce a complete and coherent scene. To address this, we introduce the Training-free Noise Transplantation and Cultivation Diffusion Model (TAUE), a novel framework for layer-wise image generation that requires neither fine-tuning nor additional data. TAUE embeds global structural information from intermediate denoising latents into the initial noise to preserve spatial coherence, and integrates semantic cues through cross-layer attention sharing to maintain contextual and visual consistency across layers. Extensive experiments demonstrate that TAUE achieves state-of-the-art performance among training-free methods, delivering image quality comparable to fine-tuned models while improving inter-layer consistency. Moreover, it enables new applications, such as layout-aware editing, multi-object composition, and background replacement, indicating potential for interactive, layer-separated generation systems in real-world creative workflows.
Authors: Po-Heng Chou, Chiapin Wang, Kuan-Hao Chen, Wei-Chen Hsiao
Abstract: This paper investigates a lightweight deep reinforcement learning (DRL)-assisted weighting framework for CSI-free multi-satellite positioning in LEO constellations, where each visible satellite provides one serving beam (one pilot response) per epoch. A discrete-action Deep Q-Network (DQN) learns satellite weights directly from received pilot measurements and geometric features, while an augmented weighted least squares (WLS) estimator provides physics-consistent localization and jointly estimates the receiver clock bias. The proposed hybrid design targets an accuracy-runtime trade-off rather than absolute supervised optimality. In a representative 2-D setting with 10 visible satellites, the proposed approach achieves sub-meter accuracy (0.395m RMSE) with low computational overhead, supporting practical deployment for resource-constrained LEO payloads.
Authors: Masato Ishii, Akio Hayakawa, Takashi Shibuya, Yuki Mitsufuji
Abstract: We introduce a novel pipeline for joint audio-visual editing that enhances the coherence between edited video and its accompanying audio. Our approach first applies state-of-the-art video editing techniques to produce the target video, then performs audio editing to align with the visual changes. To achieve this, we present a new video-to-audio generation model that conditions on the source audio, target video, and a text prompt. We extend the model architecture to incorporate conditional audio input and propose a data augmentation strategy that improves training efficiency. Furthermore, our model dynamically adjusts the influence of the source audio based on the complexity of the edits, preserving the original audio structure where possible. Experimental results demonstrate that our method outperforms existing approaches in maintaining audio-visual alignment and content integrity.
Authors: Dashti A. Ali, Aras T. Asaad, Jacob J. Peoples, Ahmad Bashir Barekzai, Camila Vilela, Hala Khasawneh, Jayasree Chakraborty, Jo\~ao Miranda, Mohammad Hamghalam, Natalie Gangai, Natally Horvat, Richard K. G. Do, Alice C. Wei, Amber L. Simpson
Abstract: The development of machine learning (ML) models based on computed tomography (CT) imaging has been a major focus due to the promise that imaging holds for diagnosis, staging, and prognostication. These models often rely on the extraction of hand-crafted features, incorporating robust feature engineering improves the performance of these models. Topological data analysis (TDA), based on the mathematical field of algebraic topology, focuses on data from a topological perspective, extracting deeper insight and higher dimensional structures. Persistent homology (PH), a fundamental tool in TDA, extracts topological features such as connected components, cycles, and voids. A popular approach to construct PH from 3D CT images is to utilize the 3D cubical complex filtration, a method adapted for grid-structured data. However, this approach is subject to poor performance and high computational cost with higher resolution CT images. This study introduces a novel patch-based PH construction approach tailored for volumetric CT imaging data that improves performance and reduces computational time. This study conducts a series of systematic experiments to comprehensively analyze the performance of the proposed method with various parameters and benchmarks against the 3D cubical complex algorithm and radiomic features. Our results highlight the dominance of the patch-based TDA approach in terms of both classification performance and computational time. The proposed approach outperformed the cubical complex method and radiomic features, achieving average improvement of 7.2%, 3.6%, 2.7%, 8.0%, and 7.2% in accuracy, AUC, sensitivity, specificity, and F1 score, respectively, across all datasets. Finally, we provide a convenient python package, Patch-TDA, to facilitate the utilization of the proposed approach.
Authors: Danxu Liu, Di Wang, Hebaixu Wang, Haoyang Chen, Wentao Jiang, Yilin Cheng, Haonan Guo, Wei Cui, Jing Zhang
Abstract: Synthetic Aperture Radar (SAR) imagery plays a critical role in all-weather, day-and-night remote sensing applications. However, existing SAR-oriented deep learning is constrained by data scarcity, while the physically grounded speckle noise in SAR imagery further hampers fine-grained semantic representation learning. To address these challenges, we propose SARMAE, a Noise-Aware Masked Autoencoder for self-supervised SAR representation learning. Specifically, we construct SAR-1M, the first million-scale SAR dataset, with additional paired optical images, to enable large-scale pre-training. Building upon this, we design Speckle-Aware Representation Enhancement (SARE), which injects SAR-specific speckle noise into masked autoencoders to facilitate noise-aware and robust representation learning. Furthermore, we introduce Semantic Anchor Representation Constraint (SARC), which leverages paired optical priors to align SAR features and ensure semantic consistency. Extensive experiments across multiple SAR datasets demonstrate that SARMAE achieves state-of-the-art performance on classification, detection, and segmentation tasks. Code and models will be available at https://github.com/MiliLab/SARMAE.
Authors: Chuang-Chieh Lin, Chi-Jen Lu, Po-An Chen, Chih-Chieh Hung
Abstract: We formulate two-party policy competition as a two-player non-cooperative game, generalizing Lin et al.'s work (2021). Each party selects a real-valued policy vector as its strategy from a compact subset of Euclidean space, and a voter's utility for a policy is given by the inner product with their preference vector. To capture the uncertainty in the competition, we assume that a policy's winning probability increases monotonically with its total utility across all voters, and we formalize this via an affine isotonic function. A player's payoff is defined as the expected utility received by its supporters. In this work, we first test and validate the isotonicity hypothesis through voting simulations. Next, we prove the existence of a pure-strategy Nash equilibrium (PSNE) in both one- and multi-dimensional settings. Although we construct a counterexample demonstrating the game's non-monotonicity, our experiments show that a decentralized gradient-based algorithm typically converges rapidly to an approximate PSNE. Finally, we present a grid-based search algorithm that finds an $\epsilon$-approximate PSNE of the game in time polynomial in the input size and $1/\epsilon$.
Authors: Nuoya Xiong, Yuhang Zhou, Hanqing Zeng, Zhaorun Chen, Furong Huang, Shuchao Bi, Lizhu Zhang, Zhuokai Zhao
Abstract: Large language models (LLMs) exhibit strengths across diverse domains. However, achieving strong performance across these domains with a single general-purpose model typically requires scaling to sizes that are prohibitively expensive to train and deploy. On the other hand, while smaller domain-specialized models are much more efficient, they struggle to generalize beyond their training distributions. To address this dilemma, we propose FusionRoute, a robust and effective token-level multi-LLM collaboration framework in which a lightweight router simultaneously (i) selects the most suitable expert at each decoding step and (ii) contributes a complementary logit that refines or corrects the selected expert's next-token distribution via logit addition. Unlike existing token-level collaboration methods that rely solely on fixed expert outputs, we provide a theoretical analysis showing that pure expert-only routing is fundamentally limited: unless strong global coverage assumptions hold, it cannot in general realize the optimal decoding policy. By augmenting expert selection with a trainable complementary generator, FusionRoute expands the effective policy class and enables recovery of optimal value functions under mild conditions. Empirically, across both Llama-3 and Gemma-2 families and diverse benchmarks spanning mathematical reasoning, code generation, and instruction following, FusionRoute outperforms both sequence- and token-level collaboration, model merging, and direct fine-tuning, while remaining competitive with domain experts on their respective tasks.
Authors: Kai Wittenmayer, Sukrut Rao, Amin Parchami-Araghi, Bernt Schiele, Jonas Fischer
Abstract: Language-aligned vision foundation models perform strongly across diverse downstream tasks. Yet, their learned representations remain opaque, making interpreting their decision-making difficult. Recent work decompose these representations into human-interpretable concepts, but provide poor spatial grounding and are limited to image classification tasks. In this work, we propose CFM, a language-aligned concept foundation model for vision that provides fine-grained concepts, which are human-interpretable and spatially grounded in the input image. When paired with a foundation model with strong semantic representations, we get explanations for any of its downstream tasks. Examining local co-occurrence dependencies of concepts allows us to define concept relationships through which we improve concept naming and obtain richer explanations. On benchmark data, we show that CFM provides performance on classification, segmentation, and captioning that is competitive with opaque foundation models while providing fine-grained, high quality concept-based explanations. Code at https://github.com/kawi19/CFM.
Authors: Saeed Khaki, Ashudeep Singh, Nima Safaei, Kamal Ginotra
Abstract: Vision-language models (VLMs) lag behind text-only language models on mathematical reasoning when the same problems are presented as images rather than text. We empirically characterize this as a modality gap: the same question in text form yields markedly higher accuracy than its visually typeset counterpart, due to compounded failures in reading dense formulas, layout, and mixed symbolic-diagrammatic context. First, we introduce VisTIRA (Vision and Tool-Integrated Reasoning Agent), a tool-integrated reasoning framework that enables structured problem solving by iteratively decomposing a given math problem (as an image) into natural language rationales and executable Python steps to determine the final answer. Second, we build a framework to measure and improve visual math reasoning: a LaTeX-based pipeline that converts chain-of-thought math corpora (e.g., NuminaMath) into challenging image counterparts, and a large set of synthetic tool-use trajectories derived from a real-world, homework-style image dataset (called SnapAsk) for fine-tuning VLMs. Our experiments show that tool-integrated supervision improves image-based reasoning, and OCR grounding can further narrow the gap for smaller models, although its benefit diminishes at scale. These findings highlight that modality gap severity inversely correlates with model size, and that structured reasoning and OCR-based grounding are complementary strategies for advancing visual mathematical reasoning.
Authors: Anming Gu, Bobby Shi, Kevin Tian
Abstract: Eldan's stochastic localization is a probabilistic construction that has proved instrumental to modern breakthroughs in high-dimensional geometry and the design of sampling algorithms. Motivated by sampling under non-Euclidean geometries and the mirror descent algorithm in optimization, we develop a functional generalization of Eldan's process that replaces Gaussian regularization with regularization by any positive integer multiple of a log-Laplace transform. We further give a mixing time bound on the Markov chain induced by our localization process, which holds if our target distribution satisfies a functional Poincar\'e inequality. Finally, we apply our framework to differentially private convex optimization in $\ell_p$ norms for $p \in [1, 2)$, where we improve state-of-the-art query complexities in a zeroth-order model.
Authors: William Lugoloobi, Thomas Foster, William Bankes, Chris Russell
Abstract: Running LLMs with extended reasoning on every problem is expensive, but determining which inputs actually require additional compute remains challenging. We investigate whether their own likelihood of success is recoverable from their internal representations before generation, and if this signal can guide more efficient inference. We train linear probes on pre-generation activations to predict policy-specific success on math and coding tasks, substantially outperforming surface features such as question length and TF-IDF. Using E2H-AMC, which provides both human and model performance on identical problems, we show that models encode a model-specific notion of difficulty that is distinct from human difficulty, and that this distinction increases with extended reasoning. Leveraging these probes, we demonstrate that routing queries across a pool of models can exceed the best-performing model whilst reducing inference cost by up to 70\% on MATH, showing that internal representations enable practical efficiency gains even when they diverge from human intuitions about difficulty. Our code is available at: https://github.com/KabakaWilliam/llms_know_difficulty
Authors: Ramansh Sharma, Matthew Lowery, Houman Owhadi, Varun Shankar
Abstract: We present a novel property-preserving kernel-based operator learning method for incompressible flows governed by the incompressible Navier--Stokes equations. Traditional numerical solvers incur significant computational costs to respect incompressibility. Operator learning offers efficient surrogate models, but current neural operators fail to exactly enforce physical properties such as incompressibility, periodicity, and turbulence. Our kernel method maps input functions to expansion coefficients of output functions in a property-preserving kernel basis, ensuring that predicted velocity fields $\textit{analytically}$ and $\textit{simultaneously}$ preserve the aforementioned physical properties. Our method leverages efficient numerical linear algebra, simple rootfinding, and streaming to allow for training at-scale on desktop GPUs. We also present universal approximation results and both pessimistic and more realistic $\textit{a priori}$ convergence rates for our framework. We evaluate the method on challenging 2D and 3D, laminar and turbulent, incompressible flow problems. Our method achieves up to six orders of magnitude lower relative $\ell_2$ errors upon generalization and trains up to five orders of magnitude faster compared to neural operators, despite our method being trained on desktop GPUs and neural operators being trained on cutting-edge GPU servers. Moreover, while our method enforces incompressibility analytically, neural operators exhibit very large deviations. Our results show that our method provides an accurate and efficient surrogate for incompressible flows.
Authors: Shan Yang, Yang Liu
Abstract: Scaling cooperative multi-agent reinforcement learning (MARL) is fundamentally limited by cross-agent noise. When agents share a common reward, the actions of all $N$ agents jointly determine each agent's learning signal, so cross-agent noise grows with $N$. In the policy gradient setting, per-agent gradient estimate variance scales as $\Theta(N)$, yielding sample complexity $\mathcal{O}(N/\epsilon)$. We observe that many domains, including cloud computing, transportation, and power systems, have differentiable analytical models that prescribe efficient system states. In this work, we propose Descent-Guided Policy Gradient (DG-PG), a framework that utilizes these analytical models to provide each agent with a noise-free gradient signal, decoupling each agent's gradient from the actions of all others. We prove that DG-PG reduces gradient variance from $\Theta(N)$ to $\mathcal{O}(1)$, preserves the equilibria of the cooperative game, and achieves agent-independent sample complexity $\mathcal{O}(1/\epsilon)$. On a heterogeneous cloud scheduling task with up to 200 agents, DG-PG converges within 10 episodes at every tested scale, from $N{=}5$ to $N{=}200$, directly confirming the predicted scale-invariant complexity, while MAPPO and IPPO fail to converge under identical architectures.
Authors: Jihoon Jeong
Abstract: Model Medicine is the science of understanding, diagnosing, treating, and preventing disorders in AI models, grounded in the principle that AI models -- like biological organisms -- have internal structures, dynamic processes, heritable traits, observable symptoms, classifiable conditions, and treatable states. This paper introduces Model Medicine as a research program, bridging the gap between current AI interpretability research (anatomical observation) and the systematic clinical practice that complex AI systems increasingly require. We present five contributions: (1) a discipline taxonomy organizing 15 subdisciplines across four divisions -- Basic Model Sciences, Clinical Model Sciences, Model Public Health, and Model Architectural Medicine; (2) the Four Shell Model (v3.3), a behavioral genetics framework empirically grounded in 720 agents and 24,923 decisions from the Agora-12 program, explaining how model behavior emerges from Core--Shell interaction; (3) Neural MRI (Model Resonance Imaging), a working open-source diagnostic tool mapping five medical neuroimaging modalities to AI interpretability techniques, validated through four clinical cases demonstrating imaging, comparison, localization, and predictive capability; (4) a five-layer diagnostic framework for comprehensive model assessment; and (5) clinical model sciences including the Model Temperament Index for behavioral profiling, Model Semiology for symptom description, and M-CARE for standardized case reporting. We additionally propose the Layered Core Hypothesis -- a biologically-inspired three-layer parameter architecture -- and a therapeutic framework connecting diagnosis to treatment.
Authors: Mridankan Mandal
Abstract: Accurate estimation of pasture biomass from agricultural imagery is critical for sustainable livestock management, yet existing methods are limited by the small, imbalanced, and sparsely annotated datasets typical of real world monitoring. In this study, adaptation of vision foundation models to agricultural regression is systematically evaluated on the CSIRO Pasture Biomass benchmark, a 357 image dual view dataset with laboratory validated, component wise ground truth for five biomass targets, through 17 configurations spanning four backbones (EfficientNet-B3 to DINOv3-ViT-L), five cross view fusion mechanisms, and a 4x2 metadata factorial. A counterintuitive principle, termed "fusion complexity inversion", is uncovered: on scarce agricultural data, a two layer gated depthwise convolution (R^2 = 0.903) outperforms cross view attention transformers (0.833), bidirectional SSMs (0.819), and full Mamba (0.793, below the no fusion baseline). Backbone pretraining scale is found to monotonically dominate all architectural choices, with the DINOv2 -> DINOv3 upgrade alone yielding +5.0 R^2 points. Training only metadata (species, state, and NDVI) is shown to create a universal ceiling at R^2 ~ 0.829, collapsing an 8.4 point fusion spread to 0.1 points. Actionable guidelines for sparse agricultural benchmarks are established: backbone quality should be prioritized over fusion complexity, local modules preferred over global alternatives, and features unavailable at inference excluded.
Authors: Nuutti Barron, Heng Rao, Urmi Saha, Yu Gu, Zhenghao Liu, Ge Yu, Defu Yang, Ashish Raj, Minghan Chen
Abstract: Mechanistic modeling provides a biophysically grounded framework for studying the spread of pathological tau protein in tauopathies like Alzheimer's disease. Existing approaches typically model tau propagation as a diffusive process on the brain's structural connectome, reproducing macroscopic patterns but neglecting microscale cellular transport and reaction mechanisms. The Network Transport Model (NTM) was introduced to fill this gap, explaining how region-level progression of tau emerges from microscale biophysical processes. However, the NTM faces a common challenge for complex models defined by large systems of partial differential equations: the inability to perform parameter inference and mechanistic discovery due to high computational burden and slow model simulations. To overcome this barrier, we propose Tau-BNO, a Brain Neural Operator surrogate framework for rapidly approximating NTM dynamics that captures both intra-regional reaction kinetics and inter-regional network transport. Tau-BNO combines a function operator that encodes kinetic parameters with a query operator that preserves initial state information, while approximating anisotropic transport through a spectral kernel that retains directionality. Empirical evaluations demonstrate high predictive accuracy ($R^2\approx$ 0.98) across diverse biophysical regimes and an 89\% performance improvement over state-of-the-art sequence models like Transformers and Mamba, which lack inherent structural priors. By reducing simulation time from hours to seconds, we show that the surrogate model is capable of producing new insights and generating new hypotheses. This framework is readily extensible to a broader class of connectome-based biophysical models, showcasing the transformative value of deep learning surrogates to accelerate analysis of large-scale, computationally intensive dynamical systems.
Authors: Pranjal Rawat
Abstract: This survey (re)introduces reinforcement learning methods to economists. The curse of dimensionality limits how far exact dynamic programming can be effectively applied, forcing us to rely on suitably "small" problems or our ability to convert "big" problems into smaller ones. While this reduction has been sufficient for many classical applications, a growing class of economic models resists such reduction. Reinforcement learning algorithms offer a natural, sample-based extension of dynamic programming, extending tractability to problems with high-dimensional states, continuous actions, and strategic interactions. I review the theory connecting classical planning to modern learning algorithms and demonstrate their mechanics through simulated examples in pricing, inventory control, strategic games, and preference elicitation. I also examine the practical vulnerabilities of these algorithms, noting their brittleness, sample inefficiency, sensitivity to hyperparameters, and the absence of global convergence guarantees outside of tabular settings. The successes of reinforcement learning remain strictly bounded by these constraints, as well as a reliance on accurate simulators. When guided by economic structure, reinforcement learning provides a remarkably flexible framework. It stands as an imperfect, but promising, addition to the computational economist's toolkit. A companion survey (Rust and Rawat, 2026b) covers the inverse problem of inferring preferences from observed behavior. All simulation code is publicly available.
Authors: Yuanyuan Sun, Timothy Parker, Lara Gierschmann, Sana Shams, Teo Canmetin, Mathieu Duteil, Rokas Gipi\v{s}kis, Ze Shen Chin
Abstract: Emerging AI regulations assign distinct obligations to different actors along the AI value chain (e.g., the EU AI Act distinguishes providers and deployers for both AI models and AI systems), yet the foundational terms "AI model" and "AI system" lack clear, consistent definitions. Through a systematic review of 896 academic papers and a manual review of over 80 regulatory, standards, and technical or policy documents, we analyze existing definitions from multiple conceptual perspectives. We then trace definitional lineages and paradigm shifts over time, finding that most standards and regulatory definitions derive from the OECD's frameworks, which evolved in ways that compounded rather than resolved conceptual ambiguities. The ambiguity of the boundary between an AI model and an AI system creates practical difficulties in determining obligations for different actors, and raises questions on whether certain modifications performed are specific to the model as opposed to the non-model system components. We propose conceptual definitions grounded in the nature of models and systems and the relationship between them, then develop operational definitions for contemporary neural network-based machine-learning AI: models consist of trained parameters and architecture, while systems consist of the model plus additional components including an interface for processing inputs and outputs. Finally, we discuss implications for regulatory implementation and examine how our definitions contribute to resolving ambiguities in allocating responsibilities across the AI value chain, in both theoretical scenarios and case studies involving real-world incidents.
Authors: Ali Raza, Gurang Gupta, Nikolay Matyunin, Jibesh Patra
Abstract: Warning: This article includes red-teaming experiments, which contain examples of compromised LLM responses that may be offensive or upsetting. Large Language Models (LLMs) have the potential to create harmful content, such as generating sophisticated phishing emails and assisting in writing code of harmful computer viruses. Thus, it is crucial to ensure their safe and responsible response generation. To reduce the risk of generating harmful or irresponsible content, researchers have developed techniques such as reinforcement learning with human feedback to align LLM's outputs with human values and preferences. However, it is still undetermined whether such measures are sufficient to prevent LLMs from generating interesting responses. In this study, we propose Amnesia, a lightweight activation-space adversarial attack that manipulates internal transformer states to bypass existing safety mechanisms in open-weight LLMs. Through experimental analysis on state-of-the-art, open-weight LLMs, we demonstrate that our attack effectively circumvents existing safeguards, enabling the generation of harmful content without the need for any fine-tuning or additional training. Our experiments on benchmark datasets show that the proposed attack can induce various antisocial behaviors in LLMs. These findings highlight the urgent need for more robust security measures in open-weight LLMs and underscore the importance of continued research to prevent their potential misuse.
Authors: Linus Folkerts, Will Payne, Simon Inman, Philippos Giavridis, Joe Skinner, Sam Deverett, James Aung, Ekin Zorer, Michael Schmatz, Mahmoud Ghanem, John Wilkinson, Alan Steer, Vy Hong, Jessica Wang
Abstract: We evaluate the autonomous cyber-attack capabilities of frontier AI models on two purpose-built cyber ranges-a 32-step corporate network attack and a 7-step industrial control system attack-that require chaining heterogeneous capabilities across extended action sequences. By comparing seven models released over an eighteen-month period (August 2024 to February 2026) at varying inference-time compute budgets, we observe two capability trends. First, model performance scales log-linearly with inference-time compute, with no observed plateau-increasing from 10M to 100M tokens yields gains of up to 59%, requiring no specific technical sophistication from the operator. Second, each successive model generation outperforms its predecessor at fixed token budgets: on the corporate network range, average steps completed at 10M tokens rose from 1.7 (GPT-4o, August 2024) to 9.8 (Opus 4.6, February 2026). The best single run completed 22 of 32 steps, corresponding to roughly 6 of the estimated 14 hours a human expert would need. On the industrial control system range, performance remains limited, though the most recent models are the first to reliably complete steps, averaging 1.2-1.4 of 7 (max 3).
Authors: Tianhao Qian, Zhuoxuan Li, Jinde Cao, Xinli Shi, Leszek Rutkowski
Abstract: Efficient deep learning traditionally relies on static heuristics like weight magnitude or activation awareness (e.g., Wanda, RIA). While successful in unstructured settings, we observe a critical limitation when applying these metrics to the structural pruning of deep vision networks. These contemporary metrics suffer from a magnitude bias, failing to preserve critical functional pathways. To overcome this, we propose a decoupled kinetic paradigm inspired by Alternating Gradient Flow (AGF), utilizing an absolute feature-space Taylor expansion to accurately capture the network's structural "kinetic utility". First, we uncover a topological phase transition at extreme sparsity, where AGF successfully preserves baseline functionality and exhibits topological implicit regularization, avoiding the collapse seen in models trained from scratch. Second, transitioning to architectures without strict structural priors, we reveal a phenomenon of Sparsity Bottleneck in Vision Transformers (ViTs). Through a gradient-magnitude decoupling analysis, we discover that dynamic signals suffer from signal compression in converged models, rendering them suboptimal for real-time routing. Finally, driven by these empirical constraints, we design a hybrid routing framework that decouples AGF-guided offline structural search from online execution via zero-cost physical priors. We validate our paradigm on large-scale benchmarks: under a 75% compression stress test on ImageNet-1K, AGF effectively avoids the structural collapse where traditional metrics aggressively fall below random sampling. Furthermore, when systematically deployed for dynamic inference on ImageNet-100, our hybrid approach achieves Pareto-optimal efficiency. It reduces the usage of the heavy expert by approximately 50% (achieving an estimated overall cost of 0.92$\times$) without sacrificing the full-model accuracy.
Authors: Jeffrey Hu, Rongzhi Dong, Ying Feng, Ming Hu, Jianjun Hu
Abstract: Active learning (AL) has emerged as a powerful paradigm for accelerating materials discovery by iteratively steering experiments toward promising candidates, reducing the number of costly synthesis-and-characterization cycles needed to identify optimal materials. However, current AL relies predominantly on Gaussian Process (GP) and Random Forest (RF) surrogates, which suffer from complementary limitations: GP underfits complex composition-property landscapes due to rigid kernel assumptions, while RF produces unreliable heuristic uncertainty estimates in small-data regimes. This small-data challenge is pervasive in materials science, making reliable surrogate modeling extremely difficult with models trained from scratch on each new dataset. Here we propose In-Context Active Learning (ICAL), which addresses this bottleneck by replacing conventional surrogates with TabPFN, a transformer-based foundation model (FM) pre-trained on millions of synthetic regression tasks to meta-learn a universal prior over tabular data, upon which TabPFN performs principled Bayesian inference in a single forward pass without dataset-specific retraining, delivering strong small-data regression performance and well-calibrated predictive uncertainty (required for effective AL). We benchmark ICAL against GP and RF across 10 materials datasets and TabPFN wins on 8 out of 10 datasets, achieving a mean saving of 52% in extra evaluations relative to GP and 29.77% relative to RF. Cross-validation analysis confirms that TabPFN's advantage stems from superior uncertainty calibration, achieving the lowest Negative Log-Likelihood and Area Under the Sparsification Error curve among all surrogates. These results demonstrate that pre-trained FMs can serve as effective surrogates for active learning, enabling data-efficient discovery across diverse materials systems and small-data experimental sciences.
Authors: Hamza Mooraj, George Pantazopoulos, Alessandro Suglia
Abstract: Reliable crop disease detection requires models that perform consistently across diverse acquisition conditions, yet existing evaluations often focus on single architectural families or lab-generated datasets. This work presents a systematic empirical comparison of three model paradigms for fine-grained crop disease classification: Convolutional Neural Networks (CNNs), contrastive Vision-Language Models (VLMs), and generative VLMs. To enable controlled analysis of domain effects, we introduce AgriPath-LF16, a benchmark containing 111k images spanning 16 crops and 41 diseases with explicit separation between laboratory and field imagery, alongside a balanced 30k subset for standardized training and evaluation. All models are trained and evaluated under unified protocols across full, lab-only, and field-only training regimes using macro-F1 and Parse Success Rate (PSR) to account for generative reliability. The results reveal distinct performance profiles. CNNs achieve the highest accuracy on lab imagery but degrade under domain shift. Contrastive VLMs provide a robust and parameter-efficient alternative with competitive cross-domain performance. Generative VLMs demonstrate the strongest resilience to distributional variation, albeit with additional failure modes stemming from free-text generation. These findings highlight that architectural choice should be guided by deployment context rather than aggregate accuracy alone.
Authors: Mahdi Naseri, Zhou Wang
Abstract: No-Reference Image Quality Assessment (NR-IQA) aims to estimate perceptual quality without access to a reference image of pristine quality. Learning an NR-IQA model faces a fundamental bottleneck: its need for a large number of costly human perceptual labels. We propose SHAMISA, a non-contrastive self-supervised framework that learns from unlabeled distorted images by leveraging explicitly structured relational supervision. Unlike prior methods that impose rigid, binary similarity constraints, SHAMISA introduces implicit structural associations, defined as soft, controllable relations that are both distortion-aware and content-sensitive, inferred from synthetic metadata and intrinsic feature structure. A key innovation is our compositional distortion engine, which generates an uncountable family of degradations from continuous parameter spaces, grouped so that only one distortion factor varies at a time. This enables fine-grained control over representational similarity during training: images with shared distortion patterns are pulled together in the embedding space, while severity variations produce structured, predictable shifts. We integrate these insights via dual-source relation graphs that encode both known degradation profiles and emergent structural affinities to guide the learning process throughout training. A convolutional encoder is trained under this supervision and then frozen for inference, with quality prediction performed by a linear regressor on its features. Extensive experiments on synthetic, authentic, and cross-dataset NR-IQA benchmarks demonstrate that SHAMISA achieves strong overall performance with improved cross-dataset generalization and robustness, all without human quality annotations or contrastive losses.
Authors: Hongyi Pan, Gorkem Durak, Halil Ertugrul Aktas, Andrea M. Bejar, Baver Tutun, Emre Uysal, Ezgi Bulbul, Mehmet Fatih Dogan, Berrin Erok, Berna Akkus Yildirim, Sukru Mehmet Erturk, Ulas Bagci
Abstract: Publicly available full-field digital mammography (FFDM) datasets remain limited in size, clinical annotations, and vendor diversity, hindering the development of robust models. We introduce LUMINA, a curated, multi-vendor FFDM dataset that explicitly encodes acquisition energy and vendor metadata to capture clinically relevant appearance variations often overlooked in existing benchmarks. This dataset contains 1824 images from 468 patients (960 benign, 864 malignant), with pathology-confirmed labels, BI-RADS assessments, and breast-density annotations. LUMINA spans six acquisition systems and includes both high- and low-energy imaging styles, enabling systematic analysis of vendor- and energy-induced domain shifts. To address these variations, we propose a foreground-only pixel-space alignment method (''energy harmonization'') that maps images to a low-energy reference while preserving lesion morphology. We benchmark CNN and transformer models on three clinically relevant tasks: diagnosis (benign vs. malignant), BI-RADS classification, and density estimation. Two-view models consistently outperform single-view models. EfficientNet-B0 achieves an AUC of 93.54% for diagnosis, while Swin-T achieves the best macro-AUC of 89.43% for density prediction. Harmonization improves performance across architectures and produces more localized Grad-CAM responses. Overall, LUMINA provides (1) a vendor-diverse benchmark and (2) a model-agnostic harmonization framework for reliable and deployable mammography AI.
Authors: Sudip Laudari, Sang Hun Baek
Abstract: Geometric data augmentation is widely used in segmentation pipelines and typically assumes that polygon annotations represent simply connected regions. However, in structured domains such as architectural floorplan analysis, ring-type regions are often encoded as a single cyclic polygon chain connecting outer and inner boundaries. During augmentation, clipping operations may remove intermediate vertices and disrupt this cyclic connectivity, breaking the structural relationship between the boundaries. In this work, we introduce an order-preserving polygon augmentation strategy that performs transformations in mask space and then projects surviving vertices back into index-space to restore adjacency relations. This repair maintains the original traversal order of the polygon and preserves topological consistency with minimal computational overhead. Experiments demonstrate that the approach reliably restores connectivity, achieving near-perfect Cyclic Adjacency Preservation (CAP) across both single and compound augmentations.
Authors: Yifei Li, Kang Wu, Wenming Wu, Xiao-Ming Fu
Abstract: We introduce a novel self-supervised learning framework that automatically learns representations from input computer-aided design (CAD) models for downstream tasks, including part classification, modeling segmentation, and machining feature recognition. To train our network, we construct a large-scale, unlabeled dataset of boundary representation (BRep) models. The success of our algorithm relies on two keycomponents. The first is a masked graph autoencoder that reconstructs randomly masked geometries and attributes of BReps for representation learning to enhance the generalization. The second is a hierarchical graph Transformer architecture that elegantly fuses global and local learning by a cross-scale mutual attention block to model long-range geometric dependencies and a graph neural network block to aggregate local topological information. After training the autoencoder, we replace its decoder with a task-specific network trained on a small amount of labeled data for downstream tasks. We conduct experiments on various tasks and achieve high performance, even with a small amount of labeled data, demonstrating the practicality and generalizability of our model. Compared to other methods, our model performs significantly better on downstream tasks with the same amount of training data, particularly when the training data is very limited.
Authors: Timo Hei{\ss}, Coco B\"ogel, Bernd Bischl, Giuseppe Casalicchio
Abstract: Global feature effects such as partial dependence (PD) and accumulated local effects (ALE) plots are widely used to interpret black-box models. However, they are only estimates of true underlying effects, and their reliability depends on multiple sources of error. Despite the popularity of global feature effects, these error sources are largely unexplored. In particular, the practically relevant question of whether to use training or holdout data to estimate feature effects remains unanswered. We address this gap by providing a systematic, estimator-level analysis that disentangles sources of bias and variance for PD and ALE. To this end, we derive a mean-squared-error decomposition that separates model bias, estimation bias, model variance, and estimation variance, and analyze their dependence on model characteristics, data selection, and sample size. We validate our theoretical findings through an extensive simulation study across multiple data-generating processes, learners, estimation strategies (training data, validation data, and cross-validation), and sample sizes. Our results reveal that, while using holdout data is theoretically the cleanest, potential biases arising from the training data are empirically negligible and dominated by the impact of the usually higher sample size. The estimation variance depends on both the presence of interactions and the sample size, with ALE being particularly sensitive to the latter. Cross-validation-based estimation is a promising approach that reduces the model variance component, particularly for overfitting models. Our analysis provides a principled explanation of the sources of error in feature effect estimates and offers concrete guidance on choosing estimation strategies when interpreting machine learning models.
Authors: Bo Jiang
Abstract: Evaluating AI-generated research ideas typically relies on LLM judges or human panels -- both subjective and disconnected from actual research impact. We introduce HindSight, a time-split evaluation framework that measures idea quality by matching generated ideas against real future publications and scoring them by citation impact and venue acceptance. Using a temporal cutoff~$T$, we restrict an idea generation system to pre-$T$ literature, then evaluate its outputs against papers published in the subsequent 30 months. Experiments across 10 AI/ML research topics reveal a striking disconnect: LLM-as-Judge finds no significant difference between retrieval-augmented and vanilla idea generation ($p{=}0.584$), while HindSight shows the retrieval-augmented system produces 2.5$\times$ higher-scoring ideas ($p{<}0.001$). Moreover, HindSight scores are \emph{negatively} correlated with LLM-judged novelty ($\rho{=}{-}0.29$, $p{<}0.01$), suggesting that LLMs systematically overvalue novel-sounding ideas that never materialize in real research.