Authors: Yuxuan Yin, Shengke Zhou, Yunjie Zhang, Ajay Mohindra, Boxun Xu, Peng Li
Abstract: The rapid growth of cloud computing in the Electronic Design Automation (EDA) industry has created a critical need for resource and job lifetime prediction to achieve optimal scheduling. Traditional machine learning methods often struggle with the complexity and heterogeneity of EDA workloads, requiring extensive feature engineering and domain expertise. We propose a novel framework that fine-tunes Large Language Models (LLMs) to address this challenge through text-to-text regression. We introduce the scientific notation and prefix filling to constrain the LLM, significantly improving output format reliability. Moreover, we found that full-attention finetuning and inference improves the prediction accuracy of sliding-window-attention LLMs. We demonstrate the effectiveness of our proposed framework on real-world cloud datasets, setting a new baseline for performance prediction in the EDA domain.
Authors: Taoran Sheng, Manfred Huber
Abstract: Human activity recognition (HAR) using wearable sensors has advanced through various machine learning paradigms, each with inherent trade-offs between performance and labeling requirements. While fully supervised techniques achieve high accuracy, they demand extensive labeled datasets that are costly to obtain. Conversely, unsupervised methods eliminate labeling needs but often deliver suboptimal performance. This paper presents a comprehensive investigation across the supervision spectrum for wearable-based HAR, with particular focus on novel approaches that minimize labeling requirements while maintaining competitive accuracy. We develop and empirically compare: (1) traditional fully supervised learning, (2) basic unsupervised learning, (3) a weakly supervised learning approach with constraints, (4) a multi-task learning approach with knowledge sharing, (5) a self-supervised approach based on domain expertise, and (6) a novel weakly self-supervised learning framework that leverages domain knowledge and minimal labeled data. Experiments across benchmark datasets demonstrate that: (i) our weakly supervised methods achieve performance comparable to fully supervised approaches while significantly reducing supervision requirements; (ii) the proposed multi-task framework enhances performance through knowledge sharing between related tasks; (iii) our weakly self-supervised approach demonstrates remarkable efficiency with just 10\% of labeled data. These results not only highlight the complementary strengths of different learning paradigms, offering insights into tailoring HAR solutions based on the availability of labeled data, but also establish that our novel weakly self-supervised framework offers a promising solution for practical HAR applications where labeled data are limited.
Authors: Behrooz Mamandipoor, Chun-Nan Hsu, Martin Krause, Ulrich H. Schmidt, Rodney A. Gabriel
Abstract: Early prediction of in-hospital mortality in critically ill patients can aid clinicians in optimizing treatment. The objective was to develop a multimodal deep learning model, using structured and unstructured clinical data, to predict in-hospital mortality risk among critically ill patients after their initial 24 hour intensive care unit (ICU) admission. We used data from MIMIC-III, MIMIC-IV, eICU, and HiRID. A multimodal model was developed on the MIMIC datasets, featuring time series components occurring within the first 24 hours of ICU admission and predicting risk of subsequent inpatient mortality. Inputs included time-invariant variables, time-variant variables, clinical notes, and chest X-ray images. External validation occurred in a temporally separated MIMIC population, HiRID, and eICU datasets. A total of 203,434 ICU admissions from more than 200 hospitals between 2001 to 2022 were included, in which mortality rate ranged from 5.2% to 7.9% across the four datasets. The model integrating structured data points had AUROC, AUPRC, and Brier scores of 0.92, 0.53, and 0.19, respectively. We externally validated the model on eight different institutions within the eICU dataset, demonstrating AUROCs ranging from 0.84-0.92. When including only patients with available clinical notes and imaging data, inclusion of notes and imaging into the model, the AUROC, AUPRC, and Brier score improved from 0.87 to 0.89, 0.43 to 0.48, and 0.37 to 0.17, respectively. Our findings highlight the importance of incorporating multiple sources of patient information for mortality prediction and the importance of external validation.
Authors: Zhan Zhang
Abstract: Finding rare but useful solutions in very large candidate spaces is a recurring practical challenge across language generation, planning, and reinforcement learning. We present a practical framework, \emph{Inverted Causality Focusing Algorithm} (ICFA), that treats search as a target-conditioned reweighting process. ICFA reuses an available proposal sampler and a task-specific similarity function to form a focused sampling distribution, while adaptively controlling focusing strength to avoid degeneracy. We provide a clear recipe, a stability diagnostic based on effective sample size, a compact theoretical sketch explaining when ICFA can reduce sample needs, and two reproducible experiments: constrained language generation and sparse-reward navigation. We further show how structured prompts instantiate an approximate, language-level form of ICFA and describe a hybrid architecture combining prompted inference with algorithmic reweighting.
Authors: Vasileios C. Pezoulas, Nikolaos S. Tachos, Eleni Georga, Kostas Marias, Manolis Tsiknakis, Dimitrios I. Fotiadis
Abstract: In the rapidly evolving era of Artificial Intelligence (AI), synthetic data are widely used to accelerate innovation while preserving privacy and enabling broader data accessibility. However, the evaluation of synthetic data remains fragmented across heterogeneous metrics, ad-hoc scripts, and incomplete reporting practices. To address this gap, we introduce Synthetic Data Blueprint (SDB), a modular Pythonic based library to quantitatively and visually assess the fidelity of synthetic tabular data. SDB supports: (i) automated feature-type detection, (ii) distributional and dependency-level fidelity metrics, (iii) graph- and embedding-based structure preservation scores, and (iv) a rich suite of data visualization schemas. To demonstrate the breadth, robustness, and domain-agnostic applicability of the SDB, we evaluated the framework across three real-world use cases that differ substantially in scale, feature composition, statistical complexity, and downstream analytical requirements. These include: (i) healthcare diagnostics, (ii) socioeconomic and financial modelling, and (iii) cybersecurity and network traffic analysis. These use cases reveal how SDB can address diverse data fidelity assessment challenges, varying from mixed-type clinical variables to high-cardinality categorical attributes and high-dimensional telemetry signals, while at the same time offering a consistent, transparent, and reproducible benchmarking across heterogeneous domains.
Authors: Zihao Lv, Siqi Ai, Yanbin Zhang
Abstract: Targeted maintenance strategies, ensuring the dependability and safety of industrial machinery. However, current modeling techniques for assessing both local and global correlation of battery degradation sequences are inefficient and difficult to meet the needs in real-life applications. For this reason, we propose a novel deep learning architecture, multiscale dual-path feature aggregation network (MDFA-Net), for RUL prediction. MDFA-Net consists of dual-path networks, the first path network, multiscale feature network (MF-Net) that maintains the shallow information and avoids missing information, and the second path network is an encoder network (EC-Net) that captures the continuous trend of the sequences and retains deep details. Integrating both deep and shallow attributes effectively grasps both local and global patterns. Testing conducted with two publicly available Lithium-ion battery datasets reveals our approach surpasses existing top-tier methods in RUL forecasting, accurately mapping the capacity degradation trajectory.
Authors: Stefan Kuyumdzhiev, Radostin Cholakov
Abstract: Serving many task-specialized LLM variants is often limited by the large size of fine-tuned checkpoints and the resulting cold-start latency. Since fine-tuned weights differ from their base model by relatively small structured residuals, a natural approach is to represent them as compressed deltas. We propose a simple 1-bit delta scheme that stores only the sign of the weight difference together with lightweight per-axis (row/column) FP16 scaling factors, learned from a small calibration set. This design preserves the compactness of 1-bit deltas while more accurately capturing variation across weight dimensions, leading to improved reconstruction quality over scalar alternatives. From a systems perspective, a streamlined loader that transfers packed deltas in a single operation per module reduces cold-start latency and storage overhead, with artifacts several times smaller than a full FP16 checkpoint. The method is drop-in, requires minimal calibration data, and maintains inference efficiency by avoiding dense reconstruction. Our experimental setup and source code are available at https://github.com/kuiumdjiev/Per-Axis-Weight-Deltas-for-Frequent-Model-Updates.
URLs: https://github.com/kuiumdjiev/Per-Axis-Weight-Deltas-for-Frequent-Model-Updates.
Authors: Vineet Yadav
Abstract: We introduce a sign-aware, multistate Jaccard/Tanimoto framework that extends overlap-based distances from nonnegative vectors and measures to arbitrary real- and complex-valued signals while retaining bounded metric and positive-semidefinite kernel structure. Formally, the construction is a set- and measure-theoretic geometry: signals are represented as atomic measures on a signed state space, and similarity is given by a generalized Jaccard overlap of these measures. Each signal is embedded into a nonnegative multistate representation, using positive/negative splits for real signals, Cartesian and polar decompositions for complex signals, and user-defined state partitions for refined regime analysis. Applying the Tanimoto construction to these embeddings yields a family of $[0,1]$ distances that satisfy the triangle inequality and define positive-semidefinite kernels usable directly in kernel methods and graph-based learning. Beyond pairwise distances, we develop coalition analysis via M\"obius inversion, which decomposes signal magnitude into nonnegative, additive contributions with exact budget closure across coalitions of signals. Normalizing the same embeddings produces probability measures on coordinate -- state configurations, so that the distance becomes a monotone transform of total variation and admits a regime -- intensity decomposition. The resulting construction yields a single, mechanistically interpretable distance that simultaneously provides bounded metric structure, positive-semidefinite kernels, probabilistic semantics, and transparent budget accounting within one sign-aware framework, supporting correlograms, feature engineering, similarity graphs, and other analytical tools in scientific and financial applications.
Authors: Alessandro Casadei, Clemens Grupp, Sreyoshi Bhaduri, Lu Guo, Wilson Fung, Rohit Malshe, Raj Ratan, Ankush Pole, Arkajit Rakshit
Abstract: This work introduces a methodology to adjust forecasts based on node-specific cost function asymmetry. The proposed model generates savings by dynamically incorporating the cost asymmetry into the forecasting error probability distribution to favor the least expensive scenario. Savings are calculated and a self-regulation mechanism modulates the adjustments magnitude based on the observed savings, enabling the model to adapt to station-specific conditions and unmodeled factors such as calibration errors or shifting macroeconomic dynamics. Finally, empirical results demonstrate the model's ability to achieve \$5.1M annual savings.
Authors: Firas Bayram, Bestoun S. Ahmed, Erik Hallin
Abstract: This paper introduces a novel end-to-end framework that efficiently integrates data quality assessment with machine learning (ML) model operations in real-time production environments. While existing approaches treat data quality assessment and ML systems as isolated processes, our framework addresses the critical gap between theoretical methods and practical implementation by combining dynamic drift detection, adaptive data quality metrics, and MLOps into a cohesive, lightweight system. The key innovation lies in its operational efficiency, enabling real-time, quality-driven ML decision-making with minimal computational overhead. We validate the framework in a steel manufacturing company's Electroslag Remelting (ESR) vacuum pumping process, demonstrating a 12% improvement in model performance (R2 = 94%) and a fourfold reduction in prediction latency. By exploring the impact of data quality acceptability thresholds, we provide actionable insights into balancing data quality standards and predictive performance in industrial applications. This framework represents a significant advancement in MLOps, offering a robust solution for time-sensitive, data-driven decision-making in dynamic industrial environments.
Authors: Srishti Gupta, Riccardo Balia, Daniele Angioni, Fabio Brau, Maura Pintor, Ambra Demontis, Alessandro Sebastian, Salvatore Mario Carta, Fabio Roli, Battista Biggio
Abstract: Recent years have witnessed significant progress in the development of machine learning models across a wide range of fields, fueled by increased computational resources, large-scale datasets, and the rise of deep learning architectures. From malware detection to enabling autonomous navigation, modern machine learning systems have demonstrated remarkable capabilities. However, as these models are deployed in ever-changing real-world scenarios, their ability to remain reliable and adaptive over time becomes increasingly important. For example, in the real world, new malware families are continuously developed, whereas autonomous driving cars are employed in many different cities and weather conditions. Models trained in fixed settings can not respond effectively to novel conditions encountered post-deployment. In fact, most machine learning models are still developed under the assumption that training and test data are independent and identically distributed (i.i.d.), i.e., sampled from the same underlying (unknown) distribution. While this assumption simplifies model development and evaluation, it does not hold in many real-world applications, where data changes over time and unexpected inputs frequently occur. Retraining models from scratch whenever new data appears is computationally expensive, time-consuming, and impractical in resource-constrained environments. These limitations underscore the need for Continual Learning (CL), which enables models to incrementally learn from evolving data streams without forgetting past knowledge, and Out-of-Distribution (OOD) detection, which allows systems to identify and respond to novel or anomalous inputs. Jointly addressing both challenges is critical to developing robust, efficient, and adaptive AI systems.
Authors: Carlos Purves
Abstract: Reinforcement learning (RL) has achieved strong results, but deploying visual policies on resource-constrained edge devices remains challenging due to computational cost and communication latency. Many deployments therefore offload policy inference to a remote server, incurring network round trips and requiring transmission of high-dimensional observations. We introduce a split-policy architecture in which a small on-device encoder, implemented as OpenGL fragment-shader passes for broad embedded GPU support, transforms each observation into a compact feature tensor that is transmitted to a remote policy head. In RL, this communication overhead manifests as closed-loop decision latency rather than only per-request inference latency. The proposed approach reduces transmitted data, lowers decision latency in bandwidth-limited settings, and reduces server-side compute per request, whilst achieving broadly comparable learning performance by final return (mean over the final 100 episodes) in single-run benchmarks, with modest trade-offs in mean return. We evaluate across an NVIDIA Jetson Nano, a Raspberry Pi 4B, and a Raspberry Pi Zero 2 W, reporting learning results, on-device execution behaviour under sustained load, and end-to-end decision latency and scalability measurements under bandwidth shaping. Code for training, deployment, and measurement is released as open source.
Authors: Peng-Hung Tsai, Daniel Berleant
Abstract: Forecasting technological advancement in complex domains such as space exploration presents significant challenges due to the intricate interaction of technical, economic, and policy-related factors. The field of technology forecasting has long relied on quantitative trend extrapolation techniques, such as growth curves (e.g., Moore's law) and time series models, to project technological progress. To assess the current state of these methods, we conducted an updated systematic literature review (SLR) that incorporates recent advances. This review highlights a growing trend toward machine learning-based hybrid models. Motivated by this review, we developed a forecasting model that combines long short-term memory (LSTM) neural networks with an augmentation of Moore's law to predict spacecraft lifetimes. Operational lifetime is an important engineering characteristic of spacecraft and a potential proxy for technological progress in space exploration. Lifetimes were modeled as depending on launch date and additional predictors. Our modeling analysis introduces a novel advance in the recently introduced Start Time End Time Integration (STETI) approach. STETI addresses a critical right censoring problem known to bias lifetime analyses: the more recent the launch dates, the shorter the lifetimes of the spacecraft that have failed and can thus contribute lifetime data. Longer-lived spacecraft are still operating and therefore do not contribute data. This systematically distorts putative lifetime versus launch date curves by biasing lifetime estimates for recent launch dates downward. STETI mitigates this distortion by interconverting between expressing lifetimes as functions of launch time and modeling them as functions of failure time. The results provide insights relevant to space mission planning and policy decision-making.
Authors: Haocheng Lu, Minjun Zhu, Henry Yu
Abstract: Large language models (LLMs) continue to struggle with mathematical reasoning, and common post-training pipelines often reduce each generated solution to a binary outcome: correct or incorrect. This perspective is limiting in practice, as failures in chain-of-thought (CoT) reasoning are frequently structured; solutions may appear convincing while containing subtle logical, algebraic, or numerical flaws. Meanwhile, reinforcement learning from human feedback (RLHF) variants that rely on large reward models or LLM-as-a-judge signals are often expensive, difficult to scale, and unstable to iterate. We propose a lightweight and pragmatic post-training pipeline that targets such structured errors under realistic compute budgets. Starting from supervised fine-tuning (SFT) on MetaMathQA-style CoT data, we introduce a compact MathVerifier that decomposes a candidate solution into a six-dimensional error profile and aggregates it into interpretable wrongness and absurdity scores. These verifier signals serve two roles: (i) mining hard negatives that are near-correct yet structurally flawed, and (ii) defining per-sample importance weights that emphasize the most informative preference pairs. We integrate both into an offline Direct Preference Optimization (DPO) objective via a verifier-guided weighted formulation. Experiments on a 1.5B-parameter Qwen2.5 model show that verifier-guided, weighted DPO yields more targeted improvements than vanilla SFT and unweighted DPO, particularly on problems where solutions are numerically close to correct but logically inconsistent, while avoiding the overhead of training large reward models or relying on external judges.
Authors: Kosuke Ukita, Tsuyoshi Okita
Abstract: Diffusion models can learn rich representations during data generation, showing potential for Self-Supervised Learning (SSL), but they face a trade-off between generative quality and discriminative performance. Their iterative sampling also incurs substantial computational and energy costs, hindering industrial and edge AI applications. To address these issues, we propose the Flow Matching-based Foundation Model (FlowFM), which jointly trains a representation encoder and a conditional flow matching generator. This decoupled design achieves both high-fidelity generation and effective recognition. By using flow matching to learn a simpler velocity field, FlowFM accelerates and stabilizes training, improving its efficiency for representation learning. Experiments on wearable sensor data show FlowFM reduces training time by 50.4\% compared to a diffusion-based approach. On downstream tasks, FlowFM surpassed the state-of-the-art SSL method (SSL-Wearables) on all five datasets while achieving up to a 51.0x inference speedup and maintaining high generative quality. The implementation code is available at https://github.com/Okita-Laboratory/jointOptimizationFlowMatching.
URLs: https://github.com/Okita-Laboratory/jointOptimizationFlowMatching.
Authors: Zhonghao Yang, Cheng Luo, Daojing He, Yiming Li, Yu Li
Abstract: Backdoor attacks pose a significant threat to the security and reliability of deep learning models. To mitigate such attacks, one promising approach is to learn to extract features from the target model and use these features for backdoor detection. However, we discover that existing learning-based neural backdoor detection methods do not generalize well to new architectures not seen during the learning phase. In this paper, we analyze the root cause of this issue and propose a novel black-box neural backdoor detection method called ArcGen. Our method aims to obtain architecture-invariant model features, i.e., aligned features, for effective backdoor detection. Specifically, in contrast to existing methods directly using model outputs as model features, we introduce an additional alignment layer in the feature extraction function to further process these features. This reduces the direct influence of architecture information on the features. Then, we design two alignment losses to train the feature extraction function. These losses explicitly require that features from models with similar backdoor behaviors but different architectures are aligned at both the distribution and sample levels. With these techniques, our method demonstrates up to 42.5% improvements in detection performance (e.g., AUC) on unseen model architectures. This is based on a large-scale evaluation involving 16,896 models trained on diverse datasets, subjected to various backdoor attacks, and utilizing different model architectures. Our code is available at https://github.com/SeRAlab/ArcGen.
Authors: Xiangzhong Luo, Weichen Liu
Abstract: Thanks to the evolving network depth, convolutional neural networks (CNNs) have achieved remarkable success across various embedded scenarios, paving the way for ubiquitous embedded intelligence. Despite its promise, the evolving network depth comes at the cost of degraded hardware efficiency. In contrast to deep networks, shallow networks can deliver superior hardware efficiency but often suffer from inferior accuracy. To address this dilemma, we propose Double-Win NAS, a novel deep-to-shallow transformable neural architecture search (NAS) paradigm tailored for resource-constrained intelligent embedded systems. Specifically, Double-Win NAS strives to automatically explore deep networks to first win strong accuracy, which are then equivalently transformed into their shallow counterparts to further win strong hardware efficiency. In addition to search, we also propose two enhanced training techniques, including hybrid transformable training towards better training accuracy and arbitrary-resolution elastic training towards enabling natural network elasticity across arbitrary input resolutions. Extensive experimental results on two popular intelligent embedded systems (i.e., NVIDIA Jetson AGX Xavier and NVIDIA Jetson Nano) and two representative large-scale datasets (i.e., ImageNet and ImageNet-100) clearly demonstrate the superiority of Double-Win NAS over previous state-of-the-art NAS approaches.
Authors: Gaurav Kumar Sharma
Abstract: In this study, we perform a systematic analysis of the JARVIS-DFT bandgap dataset and identify and remove descriptors that may inadvertently encode band-structure information, such as effective masses. This process yields a curated, leakage-controlled subset of 2280 materials. Using this dataset, a three-phase modeling framework is implemented that incrementally incorporates basic physical descriptors, engineered features, and compositional attributes. The results show that tree-based models achieve R2 values of approximately 0.88 to 0.90 across all phases, indicating that expanding the descriptor space does not substantially improve predictive accuracy when leakage is controlled. SHAP analysis consistently identifies the dielectric tensor components as the dominant contributors. This work provides a curated dataset and baseline performance metrics for future leakage-aware bandgap prediction studies.
Authors: Cl\'ement Cornet, Romaric Besan\c{c}on, Herv\'e Le Borgne
Abstract: We propose an alternative to sparse autoencoders (SAEs) as a simple and effective unsupervised method for extracting interpretable concepts from neural networks. The core idea is to cluster differences in activations, which we formally justify within a discriminant analysis framework. To enhance the diversity of extracted concepts, we refine the approach by weighting the clustering using the skewness of activations. The method aligns with Deleuze's modern view of concepts as differences. We evaluate the approach across five models and three modalities (vision, language, and audio), measuring concept quality, diversity, and consistency. Our results show that the proposed method achieves concept quality surpassing prior unsupervised SAE variants while approaching supervised baselines, and that the extracted concepts enable steering of a model's inner representations, demonstrating their causal influence on downstream behavior.
Authors: Gangxiong Zhang, Yongchao Long
Abstract: Accurate mortality risk prediction for intensive care unit (ICU) patients is essential for clinical decision-making. Although large language models (LLMs) show promise in predicting outcomes from structured medical data, their predictions may exhibit demographic biases related to sex, age, and race, limiting their trustworthy use in clinical practice. Existing debiasing methods often reduce predictive performance, making it difficult to jointly optimize fairness and accuracy. In this study, we systematically examine bias in LLM-based ICU mortality prediction and propose a training-free, clinically adaptive prompting framework to simultaneously improve fairness and performance. We first develop a multi-dimensional bias assessment scheme for comprehensive model diagnosis. Building on this analysis, we introduce CAse Prompting (CAP), a novel prompting framework that integrates conventional debiasing prompts with case-based reasoning. CAP guides the model to learn from similar historical misprediction cases and their correct outcomes, enabling correction of biased reasoning patterns. Experiments on the MIMIC-IV dataset show that CAP substantially improves both predictive accuracy and fairness. CAP increases AUROC from 0.806 to 0.873 and AUPRC from 0.497 to 0.694, while reducing sex- and race-related disparities by over 90%. Feature reliance analysis further indicates highly consistent attention patterns across demographic groups, with similarity scores exceeding 0.98. These results demonstrate that LLMs exhibit measurable bias in ICU mortality prediction, and that a carefully designed prompting framework can effectively co-optimize fairness and performance without retraining, offering a transferable paradigm for equitable clinical decision support.
Authors: Gongli Xi, Ye Tian, Mengyu Yang, Zhenyu Zhao, Yuchao Zhang, Xiangyang Gong, Xirong Que, Wendong Wang
Abstract: The structure of topology underpins much of the research on performance and robustness, yet available topology data are typically scarce, necessitating the generation of synthetic graphs with desired properties for testing or release. Prior diffusion-based approaches either embed conditions into the diffusion model, requiring retraining for each attribute and hindering real-time applicability, or use classifier-based guidance post-training, which does not account for topology scale and practical constraints. In this paper, we show from a discrete perspective that gradients from a pre-trained graph-level classifier can be incorporated into the discrete reverse diffusion posterior to steer generation toward specified structural properties. Based on this insight, we propose Classifier-guided Conditional Topology Generation with Persistent Homology (CoPHo), which builds a persistent homology filtration over intermediate graphs and interprets features as guidance signals that steer generation toward the desired properties at each denoising step. Experiments on four generic/network datasets demonstrate that CoPHo outperforms existing methods at matching target metrics, and we further validate its transferability on the QM9 molecular dataset.
Authors: Cl\'ement Elliker, Jesse Read, Sonia Vanier, Albert Bifet
Abstract: Reliable prediction of train delays is essential for enhancing the robustness and efficiency of railway transportation systems. In this work, we reframe delay forecasting as a stochastic simulation task, modeling state-transition dynamics through imitation learning. We introduce Drift-Corrected Imitation Learning (DCIL), a novel self-supervised algorithm that extends DAgger by incorporating distance-based drift correction, thereby mitigating covariate shift during rollouts without requiring access to an external oracle or adversarial schemes. Our approach synthesizes the dynamical fidelity of event-driven models with the representational capacity of data-driven methods, enabling uncertainty-aware forecasting via Monte Carlo simulation. We evaluate DCIL using a comprehensive real-world dataset from \textsc{Infrabel}, the Belgian railway infrastructure manager, which encompasses over three million train movements. Our results, focused on predictions up to 30 minutes ahead, demonstrate superior predictive performance of DCIL over traditional regression models and behavioral cloning on deep learning architectures, highlighting its effectiveness in capturing the sequential and uncertain nature of delay propagation in large-scale networks.
Authors: Wilson Fung, Lu Guo, Drake Hilliard, Alessandro Casadei, Raj Ratan, Sreyoshi Bhaduri, Adi Surve, Nikhil Agarwal, Rohit Malshe, Pavan Mullapudi, Hungjen Wang, Saurabh Doodhwala, Ankush Pole, Arkajit Rakshit
Abstract: Accurate forecasting of package volumes at delivery stations is critical for last-mile logistics, where errors lead to inefficient resource allocation, higher costs, and delivery delays. We propose OpComm, a forecasting and decision-support framework that combines supervised learning with reinforcement learning-based buffer control and a generative AI-driven communication module. A LightGBM regression model generates station-level demand forecasts, which serve as context for a Proximal Policy Optimization (PPO) agent that selects buffer levels from a discrete action set. The reward function penalizes under-buffering more heavily than over-buffering, reflecting real-world trade-offs between unmet demand risks and resource inefficiency. Station outcomes are fed back through a Monte Carlo update mechanism, enabling continual policy adaptation. To enhance interpretability, a generative AI layer produces executive-level summaries and scenario analyses grounded in SHAP-based feature attributions. Across 400+ stations, OpComm reduced Weighted Absolute Percentage Error (WAPE) by 21.65% compared to manual forecasts, while lowering under-buffering incidents and improving transparency for decision-makers. This work shows how contextual reinforcement learning, coupled with predictive modeling, can address operational forecasting challenges and bridge statistical rigor with practical decision-making in high-stakes logistics environments.
Authors: Soumen Garai, Suman Samui
Abstract: Voice assistants utilize Keyword Spotting (KWS) to enable efficient, privacy-friendly activation. However, realizing accurate KWS models on ultra-low-power TinyML devices (often with less than $<2$ MB of flash memory) necessitates a delicate balance between accuracy with strict resource constraints. Multi-objective Bayesian Optimization (MOBO) is an ideal candidate for managing such a trade-off but is highly initialization-dependent, especially under the budgeted black-box setting. Existing methods typically fall back to naive, ad-hoc sampling routines (e.g., Latin Hypercube Sampling (LHS), Sobol sequences, or Random search) that are adapted to neither the Pareto front nor undergo rigorous statistical comparison. To address this, we propose Objective-Aware Surrogate Initialization (OASI), a novel initialization strategy that leverages Multi-Objective Simulated Annealing (MOSA) to generate a seed Pareto set of high-performing and diverse configurations that explicitly balance accuracy and model size. Evaluated in a TinyML KWS setting, OASI outperforms LHS, Sobol, and Random initialization, achieving the highest hypervolume (0.0627) and the lowest generational distance (0.0) across multiple runs, with only a modest increase in computation time (1934 s vs. $\sim$1500 s). A non-parametric statistical analysis using the Kruskal-Wallis test ($H = 5.40$, $p = 0.144$, $\eta^2 = 0.0007$) and Dunn's post-hoc test confirms OASI's superior consistency despite the non-significant overall difference with respect to the $\alpha=0.05$ threshold.
Authors: Kousar Raza, Faizan Ali
Abstract: This paper presents a structured and comprehensive dataset corresponding to the 2025 Asia Cup T20 cricket tournament, designed to facilitate data-driven research in sports analytics. The dataset comprises records from all 19 matches of the tournament and includes 61 variables covering team scores, wickets, powerplay statistics, boundary counts, toss decisions, venues, and player-specific highlights. To demonstrate its analytical value, we conduct an exploratory data analysis focusing on team performance indicators, boundary distributions, and scoring patterns. The dataset is publicly released through Zenodo under a CC-BY 4.0 license to support reproducibility and further research in cricket analytics, predictive modeling, and strategic decision-making. This work contributes an open, machine-readable benchmark dataset for advancing cricket analytics research.
Authors: Shoaib Mohammad, Guanqun Song, Ting Zhu
Abstract: Deploying large-scale transformer models on edge devices presents significant challenges due to strict constraints on memory, compute, and latency. In this work, we propose a lightweight yet effective multi-stage optimization pipeline designed to compress and accelerate Vision Transformers (ViTs) for deployment in resource-constrained environments. Our methodology combines activation profiling, memory-aware pruning, selective mixed-precision execution, and activation-aware quantization (AWQ) to reduce the model's memory footprint without requiring costly retraining or task-specific fine-tuning. Starting from a ViT-Huge backbone with 632 million parameters, we first identify low-importance channels using activation statistics collected via forward hooks, followed by structured pruning to shrink the MLP layers under a target memory budget. We further apply FP16 conversion to selected components and leverage AWQ to quantize the remaining model weights and activations to INT8 with minimal accuracy degradation. Our experiments on CIFAR-10 demonstrate that the fully optimized model achieves a 76% reduction in peak memory usage and over 6x lower latency, while retaining or even improving accuracy compared to the original FP32 baseline. This framework offers a practical path toward efficient transformer inference on edge platforms, and opens future avenues for integrating dynamic sparsity and Mixture-of-Experts (MoE) architectures to further scale performance across diverse tasks.
Authors: Md Shakhrul Iman Siam, Ishtiaque Ahmed Showmik, Guanqun Song, Ting Zhu
Abstract: Human Activity Recognition (HAR) has been an active area of research, with applications ranging from healthcare to smart environments. The recent advancements in Large Language Models (LLMs) have opened new possibilities to leverage their capabilities in HAR, enabling not just activity classification but also interpretability and human-like interaction. In this paper, we present a Large Multi-Modal Agent designed for HAR, which integrates the power of LLMs to enhance both performance and user engagement. The proposed framework not only delivers activity classification but also bridges the gap between technical outputs and user-friendly insights through its reasoning and question-answering capabilities. We conduct extensive evaluations using widely adopted HAR datasets, including HHAR, Shoaib, Motionsense to assess the performance of our framework. The results demonstrate that our model achieves high classification accuracy comparable to state-of-the-art methods while significantly improving interpretability through its reasoning and Q&A capabilities.
Authors: Sasan Sharifipour, Constantino \'Alvarez Casado, Manuel Lage Ca\~nellas, Miguel Bordallo L\'opez
Abstract: Loss functions are fundamental to learning accurate 3D point cloud models, yet common choices trade geometric fidelity for computational cost. Chamfer Distance is efficient but permits many-to-one correspondences, while Earth Mover Distance better reflects one-to-one transport at high computational cost. APML approximates transport with differentiable Sinkhorn iterations and an analytically derived temperature, but its dense formulation scales quadratically in memory. We present CUDA-APML, a sparse GPU implementation that thresholds negligible assignments and runs adaptive softmax, bidirectional symmetrization, and Sinkhorn normalization directly in COO form. This yields near-linear memory scaling and preserves gradients on the stored support, while pairwise distance evaluation remains quadratic in the current implementation. On ShapeNet and MM-Fi, CUDA-APML matches dense APML within a small tolerance while reducing peak GPU memory by 99.9%. Code available at: https://github.com/Multimodal-Sensing-Lab/apml
Authors: Gustavo Coelho Haase, Paulo Henrique Dourado da Silva
Abstract: We present DeepBridge, an 80K-line Python library that unifies multi-dimensional validation, automatic compliance verification, knowledge distillation, and synthetic data generation. DeepBridge offers: (i) 5 validation suites (fairness with 15 metrics, robustness with weakness detection, uncertainty via conformal prediction, resilience with 5 drift types, hyperparameter sensitivity), (ii) automatic EEOC/ECOA/GDPR verification, (iii) multi-format reporting system (interactive/static HTML, PDF, JSON), (iv) HPM-KD framework for knowledge distillation with meta-learning, and (v) scalable synthetic data generation via Dask. Through 6 case studies (credit scoring, hiring, healthcare, mortgage, insurance, fraud) we demonstrate that DeepBridge: reduces validation time by 89% (17 min vs. 150 min with fragmented tools), automatically detects fairness violations with complete coverage (10/10 features vs. 2/10 from existing tools), generates audit-ready reports in minutes. HPM-KD demonstrates consistent superiority across compression ratios 2.3--7x (CIFAR100): +1.00--2.04pp vs. Direct Training (p<0.05), confirming that Knowledge Distillation is effective at larger teacher-student gaps. Usability study with 20 participants shows SUS score 87.5 (top 10%, ``excellent''), 95% success rate, and low cognitive load (NASA-TLX 28/100). DeepBridge is open-source under MIT license at https://github.com/deepbridge/deepbridge, with complete documentation at https://deepbridge.readthedocs.io
URLs: https://github.com/deepbridge/deepbridge,, https://deepbridge.readthedocs.io
Authors: Sumin Park, Noseong Park
Abstract: Finding the optimal configuration of Sparse Mixture-ofExperts (SMoE) that maximizes semantic differentiation among experts is essential for exploiting the full potential of MoE architectures. However, existing SMoE frameworks either heavily rely on hyperparameter tuning or overlook the importance of diversifying semantic roles across experts when adapting the expert pool size. We propose Mixture-of-Experts for Adaptive Semantic Specialization (MASS), a semanticaware MoE framework for adaptive expert expansion and dynamic routing. MASS introduces two key advancements: (i) a gradient-based semantic drift detector that prompts targeted expert expansion when the existing expert pool lacks capacity to capture the full semantic diversity of the data, and (ii) an integration of adaptive routing strategy that dynamically adjusts expert usage based on token-level routing confidence mass. We first demonstrate that MASS reliably converges to the point of optimal balance between cost-performance trade-off with notably improved sematic specialization in a highly controlled synthetic setup. Further empirical results on real-world datasets across language and vision domains show that MASS consistently outperforms a range of strong MoE baselines, demonstrating its domain robustness and enhanced expert specialization.
Authors: Bibek Poudel, Weizi Li
Abstract: Designing efficient transit route networks is an NP-hard problem with exponentially large solution spaces that traditionally relies on manual planning processes. We present an end-to-end reinforcement learning (RL) framework based on graph attention networks for sequential transit network construction. To address the long-horizon credit assignment challenge, we introduce a two-level reward structure combining incremental topological feedback with simulation-based terminal rewards. We evaluate our approach on a new real-world dataset from Bloomington, Indiana with topologically accurate road networks, census-derived demand, and existing transit routes. Our learned policies substantially outperform existing designs and traditional heuristics across two initialization schemes and two modal-split scenarios. Under high transit adoption with transit center initialization, our approach achieves 25.6% higher service rates, 30.9\% shorter wait times, and 21.0% better bus utilization compared to the real-world network. Under mixed-mode conditions with random initialization, it delivers 68.8% higher route efficiency than demand coverage heuristics and 5.9% lower travel times than shortest path construction. These results demonstrate that end-to-end RL can design transit networks that substantially outperform both human-designed systems and hand-crafted heuristics on realistic city-scale benchmarks.
Authors: Anthony Bertrand (LIMOS), Engelbert Mephu Nguifo (LIMOS), Violaine Antoine (LIMOS), David Hill (LIMOS)
Abstract: Reproducibility is essential in machine learning because it ensures that a model or experiment yields the same scientific conclusion. For specific algorithms repeatability with bitwise identical results is also a key for scientific integrity because it allows debugging. We decomposed several very popular clustering algorithms: K-Means, DBSCAN and Ward into their fundamental steps, and we identify the conditions required to achieve repeatability at each stage. We use an implementation example with the Python library scikit-learn to examine the repeatable aspects of each method. Our results reveal inconsistent results with K-Means when the number of OpenMP threads exceeds two. This work aims to raise awareness of this issue among both users and developers, encouraging further investigation and potential fixes.
Authors: Shane X. Coffing, John Tipton, Arvind T. Mohan, Darren Engwirda
Abstract: Reduced order models (ROM) can represent spatiotemporal processes in significantly fewer dimensions and can be solved many orders faster than their governing partial differential equations (PDEs). For example, using a proper orthogonal decomposition produces a ROM that is a small linear combination of fixed features and weights, but that is constrained to the given process it models. In this work, we explore a new type of ROM that is not constrained to fixed weights, based on neural Galerkin-Projections, which is an initial value problem that encodes the physics of the governing PDEs, calibrated via neural networks to accurately model the trajectory of these weights. Then using a statistical hierarchical pooling technique to learn a distribution on the initial values of the temporal weights, we can create new, statistically interpretable and physically justified weights that are generalized to many similar problems. When recombined with the spatial features, we form a complete physics surrogate, called a randPROM, for generating simulations that are consistent in distribution to a neighborhood of initial conditions close to those used to construct the ROM. We apply the randPROM technique to the study of tsunamis, which are unpredictable, catastrophic, and highly-detailed non-linear problems, modeling both a synthetic case of tsunamis near Fiji and the real-world Tohoku 2011 disaster. We demonstrate that randPROMs may enable us to significantly reduce the number of simulations needed to generate a statistically calibrated and physically defensible prediction model for arrival time and height of tsunami waves.
Authors: Deepit Sapru
Abstract: This paper introduces a marketing decision framework that converts heterogeneous-treatment uplift into constrained targeting strategies to maximize revenue and retention while honoring business guardrails. The approach estimates Conditional Average Treatment Effects (CATE) with uplift learners and then solves a constrained allocation to decide who to target and which offer to deploy under limits such as budget or acceptable sales deterioration. Applied to retention messaging, event rewards, and spend-threshold assignment, the framework consistently outperforms propensity and static baselines in offline evaluations using uplift AUC, Inverse Propensity Scoring (IPS), and Self-Normalized IPS (SNIPS). A production-scale online A/B test further validates strategic lift on revenue and completion while preserving customer-experience constraints. The result is a reusable playbook for marketers to operationalize causal targeting at scale, set guardrails, and align campaigns with strategic KPIs.
Authors: Jorg Bornschein, Clare Lyle, Yazhe Li, Amal Rannen-Triki, Xu Owen He, Razvan Pascanu
Abstract: When adapting large language models (LLMs) to a specific downstream task, two primary approaches are commonly employed: (1) prompt engineering, often with in-context few-shot learning, leveraging the model's inherent generalization abilities, and (2) fine-tuning on task-specific data, directly optimizing the model's parameters. While prompt-based methods excel in few-shot scenarios, their effectiveness often plateaus as more data becomes available. Conversely, fine-tuning scales well with data but may underperform when training examples are scarce. We investigate a unified approach that bridges these two paradigms by incorporating in-context learning directly into the fine-tuning process. Specifically, we fine-tune the model on task-specific data augmented with in-context examples, mimicking the structure of k-shot prompts. This approach, while requiring per-task fine-tuning, combines the sample efficiency of in-context learning with the performance gains of fine-tuning, leading to a method that consistently matches and often significantly exceeds both these baselines. To perform hyperparameter selection in the low-data regime, we propose to use prequential evaluation, which eliminates the need for expensive cross-validation and leverages all available data for training while simultaneously providing a robust validation signal. We conduct an extensive empirical study to determine which adaptation paradigm - fine-tuning, in-context learning, or our proposed unified approach offers the best predictive performance on a concrete data downstream-tasks.
Authors: Indranil Halder, Cengiz Pehlevan
Abstract: Recent developments in large language models have shown advantages in reallocating a notable share of computational resource from training time to inference time. However, the principles behind inference time scaling are not well understood. In this paper, we introduce an analytically tractable model of inference-time scaling: Bayesian linear regression with a reward-weighted sampler, where the reward is determined from a linear model, modeling LLM-as-a-judge scenario. We study this problem in the high-dimensional regime, where the deterministic equivalents dictate a closed-form expression for the posterior predictive mean and variance. We analyze the generalization error when training data are sampled from a teacher model. We draw $k$ inference-time samples and select via softmax at a temperature applied to a quadratic reward. When the reward is not too different from the teacher, the generalization error decreases monotonically with increasing inference time samples $k$. However, the specific reward that optimizes inference-time selection generally differs from the teacher. In contrast, substantial reward misspecification induces a finite optimal $k$ beyond which more sampling can increase the generalization error. For fixed $k$, there exists an optimal sampling temperature. We experimentally verify these facts in large language model inference with an additional large language model as a judge. In the "best-of-$k$" limit with the teacher as reward, we theoretically show that the generalization error decays as $\Theta(1/k^2)$ and determine the leading coefficient via extreme value theory. These formulas delineate domains where scaling inference-time computation is provably preferable to collecting more data. Finally, we demonstrate that when task difficulty increases, the previously mentioned advantage of inference-time compute degrades.
Authors: Maxime Lacour, Pu Ren, Rie Nakata, Nori Nakata, Michael Mahoney
Abstract: Recent developments in non-ergodic ground-motion models (GMMs) explicitly model systematic spatial variations in source, site, and path effects, reducing standard deviation to 30-40% of ergodic models and enabling more accurate site-specific seismic hazard analysis. Current non-ergodic GMMs rely on Gaussian Process (GP) methods with prescribed correlation functions and thus have computational limitations for large-scale predictions. This study proposes a deep-learning approach called Conditional Generative Modeling for Fourier Amplitude Spectra (CGM-FAS) as an alternative to GP-based methods for modeling non-ergodic path effects in Fourier Amplitude Spectra (FAS). CGM-FAS uses a Conditional Variational Autoencoder architecture to learn spatial patterns and interfrequency correlation directly from data by using geographical coordinates of earthquakes and stations as conditional variables. Using San Francisco Bay Area earthquake data, we compare CGM-FAS against a recent GP-based GMM for the region and demonstrate consistent predictions of non-ergodic path effects. Additionally, CGM-FAS offers advantages compared to GP-based approaches in learning spatial patterns without prescribed correlation functions, capturing interfrequency correlations, and enabling rapid predictions, generating maps for 10,000 sites across 1,000 frequencies within 10 seconds using a few GB of memory. CGM-FAS hyperparameters can be tuned to ensure generated path effects exhibit variability consistent with the GP-based empirical GMM. This work demonstrates a promising direction for efficient non-ergodic ground-motion prediction across multiple frequencies and large spatial domains.
Authors: Jiayun Wu, Jiashuo Liu, Zhiyuan Zeng, Tianyang Zhan, Wenhao Huang
Abstract: LLM deployment in critical domains is currently impeded by persistent hallucinations--generating plausible but factually incorrect assertions. While scaling laws drove significant improvements in general capabilities, theoretical frameworks suggest hallucination is not merely stochastic error but a predictable statistical consequence of training objectives prioritizing mimicking data distribution over epistemic honesty. Standard RLVR paradigms, utilizing binary reward signals, inadvertently incentivize models as good test-takers rather than honest communicators, encouraging guessing whenever correctness probability exceeds zero. This paper presents an exhaustive investigation into behavioral calibration, which incentivizes models to stochastically admit uncertainty by abstaining when not confident, aligning model behavior with accuracy. Synthesizing recent advances, we propose and evaluate training interventions optimizing strictly proper scoring rules for models to output a calibrated probability of correctness. Our methods enable models to either abstain from producing a complete response or flag individual claims where uncertainty remains. Utilizing Qwen3-4B-Instruct, empirical analysis reveals behavior-calibrated reinforcement learning allows smaller models to surpass frontier models in uncertainty quantification--a transferable meta-skill decouplable from raw predictive accuracy. Trained on math reasoning tasks, our model's log-scale Accuracy-to-Hallucination Ratio gain (0.806) exceeds GPT-5's (0.207) in a challenging in-domain evaluation (BeyondAIME). Moreover, in cross-domain factual QA (SimpleQA), our 4B LLM achieves zero-shot calibration error on par with frontier models including Grok-4 and Gemini-2.5-Pro, even though its factual accuracy is much lower.
Authors: Alexey Yermakov, Yue Zhao, Marine Denolle, Yiyu Ni, Philippe M. Wyder, Judah Goldfeder, Stefano Riva, Jan Williams, David Zoro, Amy Sara Rude, Matteo Tomasetto, Joe Germany, Joseph Bakarji, Georg Maierhofer, Miles Cranmer, J. Nathan Kutz
Abstract: Seismology faces fundamental challenges in state forecasting and reconstruction (e.g., earthquake early warning and ground motion prediction) and managing the parametric variability of source locations, mechanisms, and Earth models (e.g., subsurface structure and topography effects). Addressing these with simulations is hindered by their massive scale, both in synthetic data volumes and numerical complexity, while real-data efforts are constrained by models that inadequately reflect the Earth's complexity and by sparse sensor measurements from the field. Recent machine learning (ML) efforts offer promise, but progress is obscured by a lack of proper characterization, fair reporting, and rigorous comparisons. To address this, we introduce a Common Task Framework (CTF) for ML for seismic wavefields, starting with three distinct wavefield datasets. Our CTF features a curated set of datasets at various scales (global, crustal, and local) and task-specific metrics spanning forecasting, reconstruction, and generalization under realistic constraints such as noise and limited data. Inspired by CTFs in fields like natural language processing, this framework provides a structured and rigorous foundation for head-to-head algorithm evaluation. We illustrate the evaluation procedure with scores reported for two of the datasets, showcasing the performance of various methods and foundation models for reconstructing seismic wavefields from both simulated and real-world sensor measurements. The CTF scores reveal the strengths, limitations, and suitability for specific problem classes. Our vision is to replace ad hoc comparisons with standardized evaluations on hidden test sets, raising the bar for rigor and reproducibility in scientific ML.
Authors: Samruddhi Baviskar
Abstract: Machine learning models used in financial decision systems operate in nonstationary economic environments, yet adversarial robustness is typically evaluated under static assumptions. This work introduces Conditional Adversarial Fragility, a regime dependent phenomenon in which adversarial vulnerability is systematically amplified during periods of macroeconomic stress. We propose a regime aware evaluation framework for time indexed tabular financial classification tasks that conditions robustness assessment on external indicators of economic stress. Using volatility based regime segmentation as a proxy for macroeconomic conditions, we evaluate model behavior across calm and stress periods while holding model architecture, attack methodology, and evaluation protocols constant. Baseline predictive performance remains comparable across regimes, indicating that economic stress alone does not induce inherent performance degradation. Under adversarial perturbations, however, models operating during stress regimes exhibit substantially greater degradation across predictive accuracy, operational decision thresholds, and risk sensitive outcomes. We further demonstrate that this amplification propagates to increased false negative rates, elevating the risk of missed high risk cases during adverse conditions. To complement numerical robustness metrics, we introduce an interpretive governance layer based on semantic auditing of model explanations using large language models. Together, these results demonstrate that adversarial robustness in financial machine learning is a regime dependent property and motivate stress aware approaches to model risk assessment in high stakes financial deployments.
Authors: Surya Jayakumar, Kieran Sullivan, John McLaughlin, Christine O'Meara, Indrakshi Dey
Abstract: This study introduces a novel data-driven framework and the first-ever county-scale application of Spatio-Temporal Graph Neural Networks (STGNN) to forecast composite sustainability indices from herd-level operational records. The methodology employs a novel, end-to-end pipeline utilizing a Variational Autoencoder (VAE) to augment Irish Cattle Breeding Federation (ICBF) datasets, preserving joint distributions while mitigating sparsity. A first-ever pillar-based scoring formulation is derived via Principal Component Analysis, identifying Reproductive Efficiency, Genetic Management, Herd Health, and Herd Management, to construct weighted composite indices. These indices are modelled using a novel STGNN architecture that explicitly encodes geographic dependencies and non-linear temporal dynamics to generate multi-year forecasts for 2026-2030.
Authors: John Cartmell, Mihaela Cardei, Ionut Cardei
Abstract: We present a method that uses the Bloom filter transform to preprocess data for machine learning. Each sample is encoded into a compact, privacy-preserving bit array. This reduces memory use and protects the original data while keeping enough structure for accurate classification. We test the method on six datasets: SMS Spam Collection, ECG200, Adult 50K, CDC Diabetes, MNIST, and Fashion MNIST. Four classifiers are used: Extreme Gradient Boosting, Deep Neural Networks, Convolutional Neural Networks, and Logistic Regression. Results show that models trained on Bloom filter encodings achieve accuracy similar to models trained on raw data or other transforms. At the same time, the method provides memory savings while enhancing privacy. These results suggest that the Bloom filter transform is an efficient preprocessing approach for diverse machine learning tasks.
Authors: Jiacheng You, Jingcheng Yang, Yuhang Xie, Zhongxuan Wu, Xiucheng Li, Feng Li, Pengjie Wang, Jian Xu, Bo Zheng, Xinyang Chen
Abstract: Time-series forecasting in real-world applications such as finance and energy often faces challenges due to limited training data and complex, noisy temporal dynamics. Existing deep forecasting models typically supervise predictions using full-length temporal windows, which include substantial high-frequency noise and obscure long-term trends. Moreover, auxiliary variables containing rich domain-specific information are often underutilized, especially in few-shot settings. To address these challenges, we propose LoFT-LLM, a frequency-aware forecasting pipeline that integrates low-frequency learning with semantic calibration via a large language model (LLM). Firstly, a Patch Low-Frequency forecasting Module (PLFM) extracts stable low-frequency trends from localized spectral patches. Secondly, a residual learner then models high-frequency variations. Finally, a fine-tuned LLM refines the predictions by incorporating auxiliary context and domain knowledge through structured natural language prompts. Extensive experiments on financial and energy datasets demonstrate that LoFT-LLM significantly outperforms strong baselines under both full-data and few-shot regimes, delivering superior accuracy, robustness, and interpretability.
Authors: Khaled Kahouli, Romuald Elie, Klaus-Robert M\"uller, Quentin Berthet, Oliver T. Unke, Arnaud Doucet
Abstract: Diffusion models offer a robust framework for sampling from unnormalized probability densities, which requires accurately estimating the score of the noise-perturbed target distribution. While the standard Denoising Score Identity (DSI) relies on data samples, access to the target energy function enables an alternative formulation via the Target Score Identity (TSI). However, these estimators face a fundamental variance trade-off: DSI exhibits high variance in low-noise regimes, whereas TSI suffers from high variance at high noise levels. In this work, we reconcile these approaches by unifying both estimators within the principled framework of control variates. We introduce the Control Variate Score Identity (CVSI), deriving an optimal, time-dependent control coefficient that theoretically guarantees variance minimization across the entire noise spectrum. We demonstrate that CVSI serves as a robust, low-variance plug-in estimator that significantly enhances sample efficiency in both data-free sampler learning and inference-time diffusion sampling.
Authors: Sukumar Kishanthan, Asela Hevapathige
Abstract: Class imbalance is a common challenge in machine learning and data mining, often leading to suboptimal performance in classifiers. While deep learning excels in feature extraction, its performance still deteriorates under imbalanced data. In this work, we propose a novel activation function, named OGAB, designed to alleviate class imbalance in deep learning classifiers. OGAB incorporates orthogonality and group-aware bias learning to enhance feature distinguishability in imbalanced scenarios without explicitly requiring label information. Our key insight is that activation functions can be used to introduce strong inductive biases that can address complex data challenges beyond traditional non-linearity. Our work demonstrates that orthogonal transformations can preserve information about minority classes by maintaining feature independence, thereby preventing the dominance of majority classes in the embedding space. Further, the proposed group-aware bias mechanism automatically identifies data clusters and adjusts embeddings to enhance class separability without the need for explicit supervision. Unlike existing approaches that address class imbalance through preprocessing data modifications or post-processing corrections, our proposed approach tackles class imbalance during the training phase at the embedding learning level, enabling direct integration with the learning process. We demonstrate the effectiveness of our solution on both real-world and synthetic imbalanced datasets, showing consistent performance improvements over both traditional and learnable activation functions.
Authors: Yuan Gao, Zhenguo Dong, Xuelong Wang, Zhiqiang Wang, Yong Zhang, Shaofan Wang
Abstract: Accurate and interpretable forecasting of multivariate time series is crucial for understanding the complex dynamics of cryptocurrency markets in digital asset systems. Advanced deep learning methodologies, particularly Transformer-based and MLP-based architectures, have achieved competitive predictive performance in cryptocurrency forecasting tasks. However, cryptocurrency data is inherently composed of long-term socio-economic trends and local high-frequency speculative oscillations. Existing deep learning-based 'black-box' models fail to effectively decouple these composite dynamics or provide the interpretability needed for trustworthy financial decision-making. To overcome these limitations, we propose DecoKAN, an interpretable forecasting framework that integrates multi-level Discrete Wavelet Transform (DWT) for decoupling and hierarchical signal decomposition with Kolmogorov-Arnold Network (KAN) mixers for transparent and interpretable nonlinear modeling. The DWT component decomposes complex cryptocurrency time series into distinct frequency components, enabling frequency-specific analysis, while KAN mixers provide intrinsically interpretable spline-based mappings within each decomposed subseries. Furthermore, interpretability is enhanced through a symbolic analysis pipeline involving sparsification, pruning, and symbolization, which produces concise analytical expressions offering symbolic representations of the learned patterns. Extensive experiments demonstrate that DecoKAN achieves the lowest average Mean Squared Error on all tested real-world cryptocurrency datasets (BTC, ETH, XMR), consistently outperforming a comprehensive suite of competitive state-of-the-art baselines. These results validate DecoKAN's potential to bridge the gap between predictive accuracy and model transparency, advancing trustworthy decision support within complex cryptocurrency markets.
Authors: Peter N. Loxley
Abstract: Controllable Markov chains describe the dynamics of sequential decision making tasks and are the central component in optimal control and reinforcement learning. In this work, we give the general form of an optimal policy for learning controllable dynamics in an unknown environment by exploring over a limited time horizon. This policy is simple to implement and efficient to compute, and allows an agent to ``learn by exploring" as it maximizes its information gain in a greedy fashion by selecting controls from a constraint set that changes over time during exploration. We give a simple parameterization for the set of controls, and present an algorithm for finding an optimal policy. The reason for this policy is due to the existence of certain types of states that restrict control of the dynamics; such as transient states, absorbing states, and non-backtracking states. We show why the occurrence of these states makes a non-stationary policy essential for achieving optimal exploration. Six interesting examples of controllable dynamics are treated in detail. Policy optimality is demonstrated using counting arguments, comparing with suboptimal policies, and by making use of a sequential improvement property from dynamic programming.
Authors: Mingue Park, Jisung Hwang, Seungwoo Yoo, Kyeongmin Yeo, Minhyuk Sung
Abstract: We introduce $\texttt{PairFlow}$, a lightweight preprocessing step for training Discrete Flow Models (DFMs) to achieve few-step sampling without requiring a pretrained teacher. DFMs have recently emerged as a new class of generative models for discrete data, offering strong performance. However, they suffer from slow sampling due to their iterative nature. Existing acceleration methods largely depend on finetuning, which introduces substantial additional training overhead. $\texttt{PairFlow}$ addresses this issue with a lightweight preprocessing step. Inspired by ReFlow and its extension to DFMs, we train DFMs from coupled samples of source and target distributions, without requiring any pretrained teacher. At the core of our approach is a closed-form inversion for DFMs, which allows efficient construction of paired source-target samples. Despite its extremely low cost, taking only up to 1.7% of the compute needed for full model training, $\texttt{PairFlow}$ matches or even surpasses the performance of two-stage training involving finetuning. Furthermore, models trained with our framework provide stronger base models for subsequent distillation, yielding further acceleration after finetuning. Experiments on molecular data as well as binary and RGB images demonstrate the broad applicability and effectiveness of our approach.
Authors: Yanjie Li, Jian Xu, Xueqing Chen, Lina Yu, Shiming Xiang, Weijun Li, Cheng-lin Liu
Abstract: Adsorption energy is a key descriptor of catalytic reactivity. It is fundamentally defined as the difference between the relaxed total energy of the adsorbate-surface system and that of an appropriate reference state; therefore, the accuracy of relaxed-energy prediction directly determines the reliability of machine-learning-driven catalyst screening. E(3)-equivariant graph neural networks (GNNs) can natively operate on three-dimensional atomic coordinates under periodic boundary conditions and have demonstrated strong performance on such tasks. In contrast, language-model-based approaches, while enabling human-readable textual descriptions and reducing reliance on explicit graph -- thereby broadening applicability -- remain insufficient in both adsorption-configuration energy prediction accuracy and in distinguishing ``the same system with different configurations,'' even with graph-assisted pretraining in the style of GAP-CATBERTa. To this end, we propose QE-Catalytic, a multimodal framework that deeply couples a large language model (\textbf{Q}wen) with an E(3)-equivariant graph Transformer (\textbf{E}quiformer-V2), enabling unified support for adsorption-configuration property prediction and inverse design on complex catalytic surfaces. During prediction, QE-Catalytic jointly leverages three-dimensional structures and structured configuration text, and injects ``3D geometric information'' into the language channel via graph-text alignment, allowing it to function as a high-performance text-based predictor when precise coordinates are unavailable, while also autoregressively generating CIF files for target-energy-driven structure design and information completion. On OC20, QE-Catalytic reduces the MAE of relaxed adsorption energy from 0.713~eV to 0.486~eV, and consistently outperforms baseline models such as CatBERTa and GAP-CATBERTa across multiple evaluation protocols.
Authors: Jeehong Kim, Youngseok Hwang, Minchan Kim, Sungho Bae, Hyunwoo Park
Abstract: Spatio-temporal graph neural networks (ST-GNNs) have achieved notable success in structured domains such as road traffic and public transportation, where spatial entities can be naturally represented as fixed nodes. In contrast, many real-world systems including maritime traffic lack such fixed anchors, making the construction of spatio-temporal graphs a fundamental challenge. Anomaly detection in these non-grid environments is particularly difficult due to the absence of canonical reference points, the sparsity and irregularity of trajectories, and the fact that anomalies may manifest at multiple granularities. In this work, we introduce a novel benchmark dataset for anomaly detection in the maritime domain, extending the Open Maritime Traffic Analysis Dataset (OMTAD) into a benchmark tailored for graph-based anomaly detection. Our dataset enables systematic evaluation across three different granularities: node-level, edge-level, and graph-level anomalies. We plan to employ two specialized LLM-based agents: \emph{Trajectory Synthesizer} and \emph{Anomaly Injector} to construct richer interaction contexts and generate semantically meaningful anomalies. We expect this benchmark to promote reproducibility and to foster methodological advances in anomaly detection for non-grid spatio-temporal systems.
Authors: Zuo Wang, Ye Yuan
Abstract: In this paper, we investigate how the widely existing contextual and structural divergence may influence the representation learning in rich-text graphs. To this end, we propose Jensen-Shannon Divergence Message-Passing (JSDMP), a new learning paradigm for rich-text graph representation learning. Besides considering similarity regarding structure and text, JSDMP further captures their corresponding dissimilarity by Jensen-Shannon divergence. Similarity and dissimilarity are then jointly used to compute new message weights among text nodes, thus enabling representations to learn with contextual and structural information from truly correlated text nodes. With JSDMP, we propose two novel graph neural networks, namely Divergent message-passing graph convolutional network (DMPGCN) and Divergent message-passing Page-Rank graph neural networks (DMPPRG), for learning representations in rich-text graphs. DMPGCN and DMPPRG have been extensively texted on well-established rich-text datasets and compared with several state-of-the-art baselines. The experimental results show that DMPGCN and DMPPRG can outperform other baselines, demonstrating the effectiveness of the proposed Jensen-Shannon Divergence Message-Passing paradigm
Authors: Annika Hirling, Giorgio Nicoletti, Antonio Celani
Abstract: The Multi-Armed Bandit problem provides a fundamental framework for analyzing the tension between exploration and exploitation in sequential learning. This paper explores Information Directed Sampling (IDS) policies, a class of heuristics that balance immediate regret against information gain. We focus on the tractable environment of two-state Bernoulli bandits as a minimal model to rigorously compare heuristic strategies against the optimal policy. We extend the IDS framework to the discounted infinite-horizon setting by introducing a modified information measure and a tuning parameter to modulate the decision-making behavior. We examine two specific problem classes: symmetric bandits and the scenario involving one fair coin. In the symmetric case we show that IDS achieves bounded cumulative regret, whereas in the one-fair-coin scenario the IDS policy yields a regret that scales logarithmically with the horizon, in agreement with classical asymptotic lower bounds. This work serves as a pedagogical synthesis, aiming to bridge concepts from reinforcement learning and information theory for an audience of statistical physicists.
Authors: Yuanhao Chen, Qi Liu, Pengbin Chen, Zhongjian Qiao, Yanjie Li
Abstract: Offline reinforcement learning (RL) aims to learn a policy that maximizes the expected return using a given static dataset of transitions. However, offline RL faces the distribution shift problem. The policy constraint offline RL method is proposed to solve the distribution shift problem. During the policy constraint offline RL training, it is important to ensure the difference between the learned policy and behavior policy within a given threshold. Thus, the learned policy heavily relies on the quality of the behavior policy. However, a problem exists in existing policy constraint methods: if the dataset contains many low-reward transitions, the learned will be contained with a suboptimal reference policy, leading to slow learning speed, low sample efficiency, and inferior performances. This paper shows that the sampling method in policy constraint offline RL that uses all the transitions in the dataset can be improved. A simple but efficient sample filtering method is proposed to improve the sample efficiency and the final performance. First, we evaluate the score of the transitions by average reward and average discounted reward of episodes in the dataset and extract the transition samples of high scores. Second, the high-score transition samples are used to train the offline RL algorithms. We verify the proposed method in a series of offline RL algorithms and benchmark tasks. Experimental results show that the proposed method outperforms baselines.
Authors: Junghyun Lee, Branislav Kveton, Sunav Choudhary, Subhojyoti Mukherjee, Anup Rao, Ryan A. Rossi, Alexa Siu
Abstract: Large language models (LLMs) solve reasoning problems by first generating a rationale and then answering. We formalize reasoning as a latent variable model and derive an expectation-maximization (EM) objective for learning to reason. This view connects EM and modern reward-based optimization, and shows that the main challenge lies in designing a sampling distribution that generates rationales that justify correct answers. We instantiate and compare several sampling schemes: rejection sampling with a budget, self-taught reasoner (STaR), and prompt posterior sampling (PPS), which only keeps the rationalization stage of STaR. Our experiments on the ARC, MMLU, and OpenBookQA datasets with the Llama and Qwen models show that the sampling scheme can significantly affect the accuracy of learned reasoning models. Despite its simplicity, we observe that PPS outperforms the other sampling schemes.
Authors: Yunan Lin, Sebastian Bathiany, Maha Badri, Maximilian Gelbrecht, Philipp Hess, Brian Groenke, Jens Heinke, Christoph M\"uller, Niklas Boers
Abstract: Global gridded crop models (GGCMs) simulate daily crop growth by explicitly representing key biophysical processes and project end-of-season yield time series. They are a primary tool to quantify the impacts of climate change on agricultural productivity and assess associated risks for food security. Despite decades of development, state-of-the-art GGCMs still have substantial uncertainties in simulating complex biophysical processes due to limited process understanding. Recently, machine learning approaches trained on observational data have shown great potential in crop yield predictions. However, these models have not demonstrated improved performance over classical GGCMs and are not suitable for simulating crop yields under changing climate conditions due to problems in generalizing outside their training distributions. Here we introduce NeuralCrop, a hybrid GGCM that combines the strengths of an advanced process-based GGCM, resolving important processes explicitly, with data-driven machine learning components. The model is first trained to emulate a competitive GGCM before it is fine-tuned on observational data. We show that NeuralCrop outperforms state-of-the-art GGCMs across site-level and large-scale cropping regions. Across moisture conditions, NeuralCrop reproduces the interannual yield anomalies in European wheat regions and the US Corn Belt more accurately during the period from 2000 to 2019 with particularly strong improvements under drought extremes. When generalizing to conditions unseen during training, NeuralCrop continues to make robust projections, while pure machine learning models exhibit substantial performance degradation. Our results show that our hybrid crop modelling approach offers overall improved crop modeling and more reliable yield projections under climate change and intensifying extreme weather conditions.
Authors: Jixiao Yang, Jinyu Chen, Zixiao Huang, Chengda Xu, Chi Zhang, Sijia Li
Abstract: Federated learning across multi-cloud environments faces critical challenges, including non-IID data distributions, malicious participant detection, and substantial cross-cloud communication costs (egress fees). Existing Byzantine-robust methods focus primarily on model accuracy while overlooking the economic implications of data transfer across cloud providers. This paper presents Cost-TrustFL, a hierarchical federated learning framework that jointly optimizes model performance and communication costs while providing robust defense against poisoning attacks. We propose a gradient-based approximate Shapley value computation method that reduces the complexity from exponential to linear, enabling lightweight reputation evaluation. Our cost-aware aggregation strategy prioritizes intra-cloud communication to minimize expensive cross-cloud data transfers. Experiments on CIFAR-10 and FEMNIST datasets demonstrate that Cost-TrustFL achieves 86.7% accuracy under 30% malicious clients while reducing communication costs by 32% compared to baseline methods. The framework maintains stable performance across varying non-IID degrees and attack intensities, making it practical for real-world multi-cloud deployments.
Authors: Kausthubh Manda, Raghuram Bharadwaj Diddigi
Abstract: We study offline multitask reinforcement learning in settings where multiple tasks share a low-rank representation of their action-value functions. In this regime, a learner is provided with fixed datasets collected from several related tasks, without access to further online interaction, and seeks to exploit shared structure to improve statistical efficiency and generalization. We analyze a multitask variant of fitted Q-iteration that jointly learns a shared representation and task-specific value functions via Bellman error minimization on offline data. Under standard realizability and coverage assumptions commonly used in offline reinforcement learning, we establish finite-sample generalization guarantees for the learned value functions. Our analysis explicitly characterizes how pooling data across tasks improves estimation accuracy, yielding a $1/\sqrt{nT}$ dependence on the total number of samples across tasks, while retaining the usual dependence on the horizon and concentrability coefficients arising from distribution shift. In addition, we consider a downstream offline setting in which a new task shares the same underlying representation as the upstream tasks. We study how reusing the representation learned during the multitask phase affects value estimation for this new task, and show that it can reduce the effective complexity of downstream learning relative to learning from scratch. Together, our results clarify the role of shared representations in multitask offline Q-learning and provide theoretical insight into when and how multitask structure can improve generalization in model-free, value-based reinforcement learning.
Authors: Onintze Zaballa, Ver\'onica \'Alvarez, Santiago Mazuelas
Abstract: Simultaneous load forecasting across multiple entities (e.g., regions, buildings) is crucial for the efficient, reliable, and cost-effective operation of power systems. Accurate load forecasting is a challenging problem due to the inherent uncertainties in load demand, dynamic changes in consumption patterns, and correlations among entities. Multi-task learning has emerged as a powerful machine learning approach that enables the simultaneous learning across multiple related problems. However, its application to load forecasting remains underexplored and is limited to offline learning-based methods, which cannot capture changes in consumption patterns. This paper presents an adaptive multi-task learning method for probabilistic load forecasting. The proposed method can dynamically adapt to changes in consumption patterns and correlations among entities. In addition, the techniques presented provide reliable probabilistic predictions for loads of multiples entities and assess load uncertainties. Specifically, the method is based on vectorvalued hidden Markov models and uses a recursive process to update the model parameters and provide predictions with the most recent parameters. The performance of the proposed method is evaluated using datasets that contain the load demand of multiple entities and exhibit diverse and dynamic consumption patterns. The experimental results show that the presented techniques outperform existing methods both in terms of forecasting performance and uncertainty assessment.
Authors: Nathan Roos, Ekaterina Iakovleva, Ani Gjergji, Vito Paolo Pastore, Enzo Tartaglione
Abstract: Diffusion-based generative models demonstrate state-of-the-art performance across various image synthesis tasks, yet their tendency to replicate and amplify dataset biases remains poorly understood. Although previous research has viewed bias amplification as an inherent characteristic of diffusion models, this work provides the first analysis of how sampling algorithms and their hyperparameters influence bias amplification. We empirically demonstrate that samplers for diffusion models -- commonly optimized for sample quality and speed -- have a significant and measurable effect on bias amplification. Through controlled studies with models trained on Biased MNIST, Multi-Color MNIST and BFFHQ, and with Stable Diffusion, we show that sampling hyperparameters can induce both bias reduction and amplification, even when the trained model is fixed. Source code is available at https://github.com/How-I-met-your-bias/how_i_met_your_bias.
URLs: https://github.com/How-I-met-your-bias/how_i_met_your_bias.
Authors: Xuanyu Hu
Abstract: Multimodal brain decoding aims to reconstruct semantic information that is consistent with visual stimuli from brain activity signals such as fMRI, and then generate readable natural language descriptions. However, multimodal brain decoding still faces key challenges in cross-subject generalization and interpretability. We propose a BrainROI model and achieve leading-level results in brain-captioning evaluation on the NSD dataset. Under the cross-subject setting, compared with recent state-of-the-art methods and representative baselines, metrics such as BLEU-4 and CIDEr show clear improvements. Firstly, to address the heterogeneity of functional brain topology across subjects, we design a new fMRI encoder. We use multi-atlas soft functional parcellations (soft-ROI) as a shared space. We extend the discrete ROI Concatenation strategy in MINDLLM to a voxel-wise gated fusion mechanism (Voxel-gate). We also ensure consistent ROI mapping through global label alignment, which enhances cross-subject transferability. Secondly, to overcome the limitations of manual and black-box prompting methods in stability and transparency, we introduce an interpretable prompt optimization process. In a small-sample closed loop, we use a locally deployed Qwen model to iteratively generate and select human-readable prompts. This process improves the stability of prompt design and preserves an auditable optimization trajectory. Finally, we impose parameterized decoding constraints during inference to further improve the stability and quality of the generated descriptions.
Authors: Marco A. Iglesias, Michael. E. Causon, Mikhail Y. Matveev, Andreas Endruweit, Michael . V. Tretyakov
Abstract: This work demonstrates that neural operator learning provides a powerful and flexible framework for building fast, accurate emulators of moving boundary systems, enabling their integration into digital twin platforms. To this end, a Deep Operator Network (DeepONet) architecture is employed to construct an efficient surrogate model for moving boundary problems in single-phase Darcy flow through porous media. The surrogate enables rapid and accurate approximation of complex flow dynamics and is coupled with an Ensemble Kalman Inversion (EKI) algorithm to solve Bayesian inverse problems. The proposed inversion framework is demonstrated by estimating the permeability and porosity of fibre reinforcements for composite materials manufactured via the Resin Transfer Moulding (RTM) process. Using both synthetic and experimental in-process data, the DeepONet surrogate accelerates inversion by several orders of magnitude compared with full-model EKI. This computational efficiency enables real-time, accurate, high-resolution estimation of local variations in permeability, porosity, and other parameters, thereby supporting effective monitoring and control of RTM processes, as well as other applications involving moving boundary flows. Unlike prior approaches for RTM inversion that learn mesh-dependent mappings, the proposed neural operator generalises across spatial and temporal domains, enabling evaluation at arbitrary sensor configurations without retraining, and represents a significant step toward practical industrial deployment of digital twins.
Authors: Yuanjian Xu, Yuan Shuai, Jianing Hao, Guang Zhang
Abstract: Neural Stochastic Differential Equations (Neural SDEs) provide a principled framework for modeling continuous-time stochastic processes and have been widely adopted in fields ranging from physics to finance. Recent advances suggest that Generative Adversarial Networks (GANs) offer a promising solution to learning the complex path distributions induced by SDEs. However, a critical bottleneck lies in designing a discriminator that faithfully captures temporal dependencies while remaining computationally efficient. Prior works have explored Neural Controlled Differential Equations (CDEs) as discriminators due to their ability to model continuous-time dynamics, but such architectures suffer from high computational costs and exacerbate the instability of adversarial training. To address these limitations, we introduce HGAN-SDEs, a novel GAN-based framework that leverages Neural Hermite functions to construct a structured and efficient discriminator. Hermite functions provide an expressive yet lightweight basis for approximating path-level dynamics, enabling both reduced runtime complexity and improved training stability. We establish the universal approximation property of our framework for a broad class of SDE-driven distributions and theoretically characterize its convergence behavior. Extensive empirical evaluations on synthetic and real-world systems demonstrate that HGAN-SDEs achieve superior sample quality and learning efficiency compared to existing generative models for SDEs
Authors: Yuxing Gan, Ziyu Lei
Abstract: Mixture-of-Experts (MoE) architectures achieve parameter efficiency through conditional computation, yet contemporary designs suffer from two fundamental limitations: structural parameter isolation that causes catastrophic forgetting, and instruction-overfitting that degrades performance in instruction-free scenarios. We propose CDSP-MoE (Conflict-Driven Subspace Pruning MoE), a framework that addresses these issues through a paradigm shift from isolated expert containers to dynamic expert instantiation within a shared physical subspace. Grounded in the Universal Weight Subspace Hypothesis, CDSP-MoE maintains a super-complete parameter backbone where logical experts are carved out via learnable topology masks. Unlike prior work that uses gradient conflict for token reassignment or optimization surgery, we leverage it as a structural supervisory signal: a Lagged Gradient Game penalizes interfering connections in the shared manifold, enabling the topology to spontaneously prune conflicting pathways and evolve interpretable modular structures. Experimental results demonstrate that CDSP-MoE achieves robust content-driven routing without human-defined task labels, maintaining semantic specialization even under strict blind inference protocols where explicit instructions are absent. Code is available at: https://github.com/konodiodaaaaa1/Conflict-Driven-Subspace-Pruning-Mixture-of-Experts
URLs: https://github.com/konodiodaaaaa1/Conflict-Driven-Subspace-Pruning-Mixture-of-Experts
Authors: Saisai Yang, Qingyi Huang, Jing Yuan, Liangyu Zha, Kai Tang, Yuhang Yang, Ning Wang, Yucheng Wei, Liyao Li, Wentao Ye, Hao Chen, Tao Zhang, Junlin Zhou, Haobo Wang, Gang Chen, Junbo Zhao
Abstract: Tabular data serves as the backbone of modern data analysis and scientific research. While Large Language Models (LLMs) fine-tuned via Supervised Fine-Tuning (SFT) have significantly improved natural language interaction with such structured data, they often fall short in handling the complex, multi-step reasoning and robust code execution required for real-world table tasks. Reinforcement Learning (RL) offers a promising avenue to enhance these capabilities, yet its application in the tabular domain faces three critical hurdles: the scarcity of high-quality agentic trajectories with closed-loop code execution and environment feedback on diverse table structures, the extreme heterogeneity of feedback signals ranging from rigid SQL execution to open-ended data interpretation, and the risk of catastrophic forgetting of general knowledge during vertical specialization. To overcome these challenges and unlock advanced reasoning on complex tables, we introduce \textbf{TableGPT-R1}, a specialized tabular model built on a systematic RL framework. Our approach integrates a comprehensive data engineering pipeline that synthesizes difficulty-stratified agentic trajectories for both supervised alignment and RL rollouts, a task-adaptive reward system that combines rule-based verification with a criteria-injected reward model and incorporates process-level step reward shaping with behavioral regularization, and a multi-stage training framework that progressively stabilizes reasoning before specializing in table-specific tasks. Extensive evaluations demonstrate that TableGPT-R1 achieves state-of-the-art performance on authoritative benchmarks, significantly outperforming baseline models while retaining robust general capabilities. Our model is available at https://huggingface.co/tablegpt/TableGPT-R1.
Authors: Mrinmay Sen, Subhrajit Nag
Abstract: Data heterogeneity is a significant challenge in modern federated learning (FL) as it creates variance in local model updates, causing the aggregated global model to shift away from the true global optimum. Partial client participation in FL further exacerbates this issue by skewing the aggregation of local models towards the data distribution of participating clients. This creates additional variance in the global model updates, causing the global model to converge away from the optima of the global objective. These variances lead to instability in FL training, which degrades global model performance and slows down FL training. While existing literature primarily focuses on addressing data heterogeneity, the impact of partial client participation has received less attention. In this paper, we propose FedDPC, a novel FL method, designed to improve FL training and global model performance by mitigating both data heterogeneity and partial client participation. FedDPC addresses these issues by projecting each local update onto the previous global update, thereby controlling variance in both local and global updates. To further accelerate FL training, FedDPC employs adaptive scaling for each local update before aggregation. Extensive experiments on image classification tasks with multiple heterogeneously partitioned datasets validate the effectiveness of FedDPC. The results demonstrate that FedDPC outperforms state-of-the-art FL algorithms by achieving faster reduction in training loss and improved test accuracy across communication rounds.
Authors: Emilia Majerz, Witold Dzwinel, Jacek Kitowski
Abstract: Physics-based machine learning blends traditional science with modern data-driven techniques. Rather than relying exclusively on empirical data or predefined equations, this methodology embeds domain knowledge directly into the learning process, resulting in models that are both more accurate and robust. We leverage this paradigm to accelerate simulations of the Zero Degree Calorimeter (ZDC) of the ALICE experiment at CERN. Our method introduces a novel loss function and an output variability-based scaling mechanism, which enhance the model's capability to accurately represent the spatial distribution and morphology of particle showers in detector outputs while mitigating the influence of rare artefacts on the training. Leveraging Normalizing Flows (NFs) in a teacher-student generative framework, we demonstrate that our approach not only outperforms classic data-driven model assimilation but also yields models that are 421 times faster than existing NF implementations in ZDC simulation literature.
Authors: Dogan Altan, Hamza Haruna Mohammed, Glenn Terje Lines, Dusica Marijan, Arnbj{\o}rn Maressa
Abstract: Optimizing maritime operations, particularly fuel consumption for vessels, is crucial, considering its significant share in global trade. As fuel consumption is closely related to the shaft power of a vessel, predicting shaft power accurately is a crucial problem that requires careful consideration to minimize costs and emissions. Traditional approaches, which incorporate empirical formulas, often struggle to model dynamic conditions, such as sea conditions or fouling on vessels. In this paper, we present a hybrid, physics-guided neural network-based approach that utilizes empirical formulas within the network to combine the advantages of both neural networks and traditional techniques. We evaluate the presented method using data obtained from four similar-sized cargo vessels and compare the results with those of a baseline neural network and a traditional approach that employs empirical formulas. The experimental results demonstrate that the physics-guided neural network approach achieves lower mean absolute error, root mean square error, and mean absolute percentage error for all tested vessels compared to both the empirical formula-based method and the base neural network.
Authors: Maximilian Witte, Johannes Meuer, \'Etienne Pl\'esiat, Christopher Kadow
Abstract: Accurate and physically consistent modeling of Earth system dynamics requires machine-learning architectures that operate directly on continuous geophysical fields and preserve their underlying geometric structure. Here we introduce Field-Space attention, a mechanism for Earth system Transformers that computes attention in the physical domain rather than in a learned latent space. By maintaining all intermediate representations as continuous fields on the sphere, the architecture enables interpretable internal states and facilitates the enforcement of scientific constraints. The model employs a fixed, non-learned multiscale decomposition and learns structure-preserving deformations of the input field, allowing coherent integration of coarse and fine-scale information while avoiding the optimization instabilities characteristic of standard single-scale Vision Transformers. Applied to global temperature super-resolution on a HEALPix grid, Field-Space Transformers converge more rapidly and stably than conventional Vision Transformers and U-Net baselines, while requiring substantially fewer parameters. The explicit preservation of field structure throughout the network allows physical and statistical priors to be embedded directly into the architecture, yielding improved fidelity and reliability in data-driven Earth system modeling. These results position Field-Space Attention as a compact, interpretable, and physically grounded building block for next-generation Earth system prediction and generative modeling frameworks.
Authors: Daniel M. Jimenez-Gutierrez, Mehrdad Hassanzadeh, Aris Anagnostopoulos, Ioannis Chatzigiannakis, Andrea Vitaletti
Abstract: Federated learning (FL) supports privacy-preserving, decentralized machine learning (ML) model training by keeping data on client devices. However, non-independent and identically distributed (non-IID) data across clients biases updates and degrades performance. To alleviate these issues, we propose Clust-PSI-PFL, a clustering-based personalized FL framework that uses the Population Stability Index (PSI) to quantify the level of non-IID data. We compute a weighted PSI metric, $WPSI^L$, which we show to be more informative than common non-IID metrics (Hellinger, Jensen-Shannon, and Earth Mover's distance). Using PSI features, we form distributionally homogeneous groups of clients via K-means++; the number of optimal clusters is chosen by a systematic silhouette-based procedure, typically yielding few clusters with modest overhead. Across six datasets (tabular, image, and text modalities), two partition protocols (Dirichlet with parameter $\alpha$ and Similarity with parameter S), and multiple client sizes, Clust-PSI-PFL delivers up to 18% higher global accuracy than state-of-the-art baselines and markedly improves client fairness by a relative improvement of 37% under severe non-IID data. These results establish PSI-guided clustering as a principled, lightweight mechanism for robust PFL under label skew.
Authors: Corey Adams, Rishikesh Ranade, Ram Cherukuri, Sanjay Choudhry
Abstract: We present GeoTransolver, a Multiscale Geometry-Aware Physics Attention Transformer for CAE that replaces standard attention with GALE, coupling physics-aware self-attention on learned state slices with cross-attention to a shared geometry/global/boundary-condition context computed from multi-scale ball queries (inspired by DoMINO) and reused in every block. Implemented and released in NVIDIA PhysicsNeMo, GeoTransolver persistently projects geometry, global and boundary condition parameters into physical state spaces to anchor latent computations to domain structure and operating regimes. We benchmark GeoTransolver on DrivAerML, Luminary SHIFT-SUV, and Luminary SHIFT-Wing, comparing against Domino, Transolver (as released in PhysicsNeMo), and literature-reported AB-UPT, and evaluate drag/lift R2 and Relative L1 errors for field variables. GeoTransolver delivers better accuracy, improved robustness to geometry/regime shifts, and favorable data efficiency; we include ablations on DrivAerML and qualitative results such as contour plots and design trends for the best GeoTransolver models. By unifying multiscale geometry-aware context with physics-based attention in a scalable transformer, GeoTransolver advances operator learning for high-fidelity surrogate modeling across complex, irregular domains and non-linear physical regimes.
Authors: Xuan-An Le, Minh-Nam Tran, Son Nguyen
Abstract: Distilling knowledge from large proprietary models (e.g., GPT-4) to tiny deployable models (less than 1B parameters) faces a critical capacity-budget trap: the 1000x capacity gap between teachers and students prevents effective direct transfer, while API costs prohibit extensive data collection. We introduce BRIDGE (Budget-Aware Reasoning via Intermediate Distillation), a two-phase framework that resolves these constraints through strategic intermediation and budget asymmetry. In Phase 1, a mid-sized Teacher Assistant (TA; e.g., about 7B) learns from the black-box teacher on a strictly limited subset of data (e.g., 3-5%), selected via a zero-API-cost pipeline that balances entropic difficulty and semantic diversity using only local TA inference. In Phase 2, we exploit this asymmetry-teacher queries are expensive, whereas TA inference is free to amplify supervision: the refined TA generates synthetic rationales for the full dataset to train the tiny student. Crucially, we apply an instruction-tuning curriculum to establish behavioral alignment in the tiny student before transferring reasoning. Our theoretical analysis shows that BRIDGE yields tighter generalization bounds than direct distillation when data is abundant. Experiments across medical, legal, and financial benchmarks demonstrate consistent improvements: BRIDGE delivers student performance gains of 28-41%, closing the capability gap with proprietary teachers by 12-16% while using 10x fewer teacher queries. Notably, BRIDGE defies the conventional cost-performance frontier, surpassing direct distillation baselines that use 100% of the budget while consuming only 5% of the resources.
Authors: Mihai Suteu, Ovidiu Serban
Abstract: Multi-task learning (MTL) aims to leverage shared knowledge across tasks to improve generalization and parameter efficiency, yet balancing resources and mitigating interference remain open challenges. Architectural solutions often introduce elaborate task-specific modules or routing schemes, increasing complexity and overhead. In this work, we show that normalization layers alone are sufficient to address many of these challenges. Simply replacing shared normalization with task-specific variants already yields competitive performance, questioning the need for complex designs. Building on this insight, we propose Task-Specific Sigmoid Batch Normalization (TS$\sigma$BN), a lightweight mechanism that enables tasks to softly allocate network capacity while fully sharing feature extractors. TS$\sigma$BN improves stability across CNNs and Transformers, matching or exceeding performance on NYUv2, Cityscapes, CelebA, and PascalContext, while remaining highly parameter-efficient. Moreover, its learned gates provide a natural framework for analyzing MTL dynamics, offering interpretable insights into capacity allocation, filter specialization, and task relationships. Our findings suggest that complex MTL architectures may be unnecessary and that task-specific normalization offers a simple, interpretable, and efficient alternative.
Authors: Jibin Joseph
Abstract: Many businesses depend on their mobile apps and websites, so user frustration while trying to complete a task on these channels can cause lost sales and complaints. In this research, I use clickstream data from a real e-commerce site to predict whether a session is frustrated or not. Frustration is defined using certain rules based on rage bursts, back and forth navigation (U turns), cart churn, search struggle, and long wandering sessions, and applies these rules to 5.4 million raw clickstream events (304,881 sessions). From each session, I build tabular features and train standard classifier models. I also use the full event sequence to train a discriminative LSTM classifier. XGBoost reaches about 90% accuracy, ROC AUC of 0.9579, while the LSTM performs best with about 91% accuracy and a ROC AUC of 0.9705. Finally, the research shows that with only the first 20 to 30 interactions, the LSTM already predicts frustration reliably.
Authors: Tyler Clark, Christine Evers, Jonathon Hare
Abstract: Recurrent off-policy deep reinforcement learning models achieve state-of-the-art performance but are often sidelined due to their high computational demands. In response, we introduce RISE (Recurrent Integration via Simplified Encodings), a novel approach that can leverage recurrent networks in any image-based off-policy RL setting without significant computational overheads via using both learnable and non-learnable encoder layers. When integrating RISE into leading non-recurrent off-policy RL algorithms, we observe a 35.6% human-normalized interquartile mean (IQM) performance improvement across the Atari benchmark. We analyze various implementation strategies to highlight the versatility and potential of our proposed framework.
Authors: Matthias Hertel, Sebastian P\"utz, Ralf Mikut, Veit Hagenmeyer, Benjamin Sch\"afer
Abstract: Time-series forecasts are essential for planning and decision-making in many domains. Explainability is key to building user trust and meeting transparency requirements. Shapley Additive Explanations (SHAP) is a popular explainable AI framework, but it lacks efficient implementations for time series and often assumes feature independence when sampling counterfactuals. We introduce SHAPformer, an accurate, fast and sampling-free explainable time-series forecasting model based on the Transformer architecture. It leverages attention manipulation to make predictions based on feature subsets. SHAPformer generates explanations in under one second, several orders of magnitude faster than the SHAP Permutation Explainer. On synthetic data with ground truth explanations, SHAPformer provides explanations that are true to the data. Applied to real-world electrical load data, it achieves competitive predictive performance and delivers meaningful local and global insights, such as identifying the past load as the key predictor and revealing a distinct model behavior during the Christmas period.
Authors: Rui Pan, Zhuofu Chen, Ravi Netravali
Abstract: Diffusion Large Language Models (dLLMs) offer fast, parallel token generation, but their standalone use is plagued by an inherent efficiency-quality tradeoff. We show that, if carefully applied, the attributes of dLLMs can actually be a strength for drafters in speculative decoding with autoregressive (AR) verifiers. Our core insight is that dLLM's speed from parallel decoding drastically lowers the risk of costly rejections, providing a practical mechanism to effectively realize the (elusive) lengthy drafts that lead to large speedups with speculative decoding. We present FailFast, a dLLM-based speculative decoding framework that realizes this approach by dynamically adapting its speculation length. It "fails fast" by spending minimal compute in hard-to-speculate regions to shrink speculation latency and "wins big" by aggressively extending draft lengths in easier regions to reduce verification latency (in many cases, speculating and accepting 70 tokens at a time!). Without any fine-tuning, FailFast delivers lossless acceleration of AR LLMs and achieves up to 4.9$\times$ speedup over vanilla decoding, 1.7$\times$ over the best naive dLLM drafter, and 1.4$\times$ over EAGLE-3 across diverse models and workloads. We open-source FailFast at https://github.com/ruipeterpan/failfast.
Authors: Debabrota Basu, Udvas Das, Brahim Driss, Uddalak Mukherjee
Abstract: Post-deployment machine learning algorithms often influence the environments they act in, and thus shift the underlying dynamics that the standard reinforcement learning (RL) methods ignore. While designing optimal algorithms in this performative setting has recently been studied in supervised learning, the RL counterpart remains under-explored. In this paper, we prove the performative counterparts of the performance difference lemma and the policy gradient theorem in RL, and further introduce the Performative Policy Gradient algorithm (PePG). PePG is the first policy gradient algorithm designed to account for performativity in RL. Under softmax parametrisation, and also with and without entropy regularisation, we prove that PePG converges to performatively optimal policies, i.e. policies that remain optimal under the distribution shifts induced by themselves. Thus, PePG significantly extends the prior works in Performative RL that achieves performative stability but not optimality. Furthermore, our empirical analysis on standard performative RL environments validate that PePG outperforms standard policy gradient algorithms and the existing performative RL algorithms aiming for stability.
Authors: Leslie Barrett, Michael W. Sherman
Abstract: Hand-tagged training data is essential to many machine learning tasks. However, training data quality control has received little attention in the literature, despite data quality varying considerably with the tagging exercise. We propose methods to evaluate and enhance the quality of hand-tagged training data using statistical approaches to measure tagging consistency and agreement. We show that agreement metrics give more reliable results if recorded over multiple iterations of tagging, where declining variance in such recordings is an indicator of increasing data quality. We also show one way a tagging project can collect high-quality training data without requiring multiple tags for every work item, and that a tagger burn-in period may not be sufficient for minimizing tagger errors.
Authors: Stephane Gaubert, Yiannis Vlassopoulos
Abstract: We show that the output of a ReLU neural network can be interpreted as the value of a zero-sum, turn-based, stopping game, which we call the ReLU net game. The game runs in the direction opposite to that of the network, and the input of the network serves as the terminal reward of the game. In fact, evaluating the network is the same as running the Shapley-Bellman backward recursion for the value of the game. Using the expression of the value of the game as an expected total payoff with respect to the path measure induced by the transition probabilities and a pair of optimal policies, we derive a discrete Feynman-Kac-type path-integral formula for the network output. This game-theoretic representation can be used to derive bounds on the output from bounds on the input, leveraging the monotonicity of Shapley operators, and to verify robustness properties using policies as certificates. Moreover, training the neural network becomes an inverse game problem: given pairs of terminal rewards and corresponding values, one seeks transition probabilities and rewards of a game that reproduces them. Finally, we show that a similar approach applies to neural networks with Softplus activation functions, where the ReLU net game is replaced by its entropic regularization.
Authors: Seijin Kobayashi, Yanick Schimpf, Maximilian Schlegel, Angelika Steger, Maciej Wolczyk, Johannes von Oswald, Nino Scherre, Kaitlin Maile, Guillaume Lajoie, Blake A. Richards, Rif A. Saurous, James Manyika, Blaise Ag\"uera y Arcas, Alexander Meulemans, Jo\~ao Sacramento
Abstract: Large-scale autoregressive models pretrained on next-token prediction and finetuned with reinforcement learning (RL) have achieved unprecedented success on many problem domains. During RL, these models explore by generating new outputs, one token at a time. However, sampling actions token-by-token can result in highly inefficient learning, particularly when rewards are sparse. Here, we show that it is possible to overcome this problem by acting and exploring within the internal representations of an autoregressive model. Specifically, to discover temporally-abstract actions, we introduce a higher-order, non-causal sequence model whose outputs control the residual stream activations of a base autoregressive model. On grid world and MuJoCo-based tasks with hierarchical structure, we find that the higher-order model learns to compress long activation sequence chunks onto internal controllers. Critically, each controller executes a sequence of behaviorally meaningful actions that unfold over long timescales and are accompanied with a learned termination condition, such that composing multiple controllers over time leads to efficient exploration on novel tasks. We show that direct internal controller reinforcement, a process we term "internal RL", enables learning from sparse rewards in cases where standard RL finetuning fails. Our results demonstrate the benefits of latent action generation and reinforcement in autoregressive models, suggesting internal RL as a promising avenue for realizing hierarchical RL within foundation models.
Authors: Yedi Zhang, Andrew Saxe, Peter E. Latham
Abstract: Neural networks trained with gradient descent often learn solutions of increasing complexity over time, a phenomenon known as simplicity bias. Despite being widely observed across architectures, existing theoretical treatments lack a unifying framework. We present a theoretical framework that explains a simplicity bias arising from saddle-to-saddle learning dynamics for a general class of neural networks, incorporating fully-connected, convolutional, and attention-based architectures. Here, simple means expressible with few hidden units, i.e., hidden neurons, convolutional kernels, or attention heads. Specifically, we show that linear networks learn solutions of increasing rank, ReLU networks learn solutions with an increasing number of kinks, convolutional networks learn solutions with an increasing number of convolutional kernels, and self-attention models learn solutions with an increasing number of attention heads. By analyzing fixed points, invariant manifolds, and dynamics of gradient descent learning, we show that saddle-to-saddle dynamics operates by iteratively evolving near an invariant manifold, approaching a saddle, and switching to another invariant manifold. Our analysis also illuminates the effects of data distribution and weight initialization on the duration and number of plateaus in learning, dissociating previously confounding factors. Overall, our theory offers a framework for understanding when and why gradient descent progressively learns increasingly complex solutions.
Authors: Sebastian Racedo, Brigitte Jaumard, Oscar Delgado, Meysam Masoudi
Abstract: Open Radio Access Network (O RAN) disaggregates conventional RAN into interoperable components, enabling flexible resource allocation, energy savings, and agile architectural design. In legacy deployments, the binding between logical functions and physical locations is static, which leads to inefficiencies under time varying traffic and resource conditions. We address this limitation by relaxing the fixed mapping and performing dynamic service function chain (SFC) provisioning with on the fly O CU selection. We formulate the problem as a Markov decision process and solve it using GRLDyP, i.e., a graph neural network (GNN) assisted deep reinforcement learning (DRL). The proposed agent jointly selects routes and the O-CU location (from candidate sites) for each incoming service flow to minimize network energy consumption while satisfying quality of service (QoS) constraints. The GNN encodes the instantaneous network topology and resource utilization (e.g., CPU and bandwidth), and the DRL policy learns to balance grade of service, latency, and energy. We perform the evaluation of GRLDyP on a data set with 24-hour traffic traces from the city of Montreal, showing that dynamic O CU selection and routing significantly reduce energy consumption compared to a static mapping baseline, without violating QoS. The results highlight DRL based SFC provisioning as a practical control primitive for energy-aware, resource-adaptive O-RAN deployments.
Authors: Siyuan Fu, Xuchen Guo, Mingjun Liu, Hongxiang Li, Boyin Tan, Gongxi Zhu, Xianwei Zhuang, Jinghan Ru, Yuxin Xie, Yuguo Yin
Abstract: The dominant paradigm for Audio-Text Retrieval (ATR) relies on mini-batch-based contrastive learning. This process, however, is inherently limited by what we formalize as the Gradient Locality Bottleneck (GLB), which structurally prevents models from leveraging out-of-batch knowledge and thus impairs fine-grained and long-tail learning. While external knowledge-enhanced methods can alleviate the GLB, we identify a critical, unaddressed side effect: the Representation-Drift Mismatch (RDM), where a static knowledge base becomes progressively misaligned with the evolving model, turning guidance into noise. To address this dual challenge, we propose the Adaptive Self-improving Knowledge (ASK) framework, a model-agnostic, plug-and-play solution. ASK breaks the GLB via multi-grained knowledge injection, systematically mitigates RDM through dynamic knowledge refinement, and introduces a novel adaptive reliability weighting scheme to ensure consistent knowledge contributes to optimization. Experimental results on two benchmark datasets with superior, state-of-the-art performance justify the efficacy of our proposed ASK framework.
Authors: James K Ruffle, Samia Mohinta, Guilherme Pombo, Asthik Biswas, Alan Campbell, Indran Davagnanam, David Doig, Ahmed Hamman, Harpreet Hyare, Farrah Jabeen, Emma Lim, Dermot Mallon, Stephanie Owen, Sophie Wilkinson, Sebastian Brandner, Parashkev Nachev
Abstract: The benefits of artificial intelligence (AI) human partnerships-evaluating how AI agents enhance expert human performance-are increasingly studied. Though rarely evaluated in healthcare, an inverse approach is possible: AI benefiting from the support of an expert human agent. Here, we investigate both human-AI clinical partnership paradigms in the magnetic resonance imaging-guided characterisation of patients with brain tumours. We reveal that human-AI partnerships improve accuracy and metacognitive ability not only for radiologists supported by AI, but also for AI agents supported by radiologists. Moreover, the greatest patient benefit was evident with an AI agent supported by a human one. Synergistic improvements in agent accuracy, metacognitive performance, and inter-rater agreement suggest that AI can create more capable, confident, and consistent clinical agents, whether human or model-based. Our work suggests that the maximal value of AI in healthcare could emerge not from replacing human intelligence, but from AI agents that routinely leverage and amplify it.
Authors: Md Nahid Hasan Shuvo, Moinul Hossain
Abstract: Connected autonomous vehicles (CAVs) rely on vision-based deep neural networks (DNNs) and low-latency (Vehicle-to-Everything) V2X communication to navigate safely and efficiently. Despite their advances, these systems remain vulnerable to physical adversarial attacks. In this paper, we introduce PHANTOM (PHysical ANamorphic Threats Obstructing connected vehicle Mobility), a novel framework for crafting and deploying perspective-dependent adversarial examples using \textit{anamorphic art}. PHANTOM exploits geometric distortions that appear natural to humans but are misclassified with high confidence by state-of-the-art object detectors. Unlike conventional attacks, PHANTOM operates in black-box settings without model access and demonstrates strong transferability across four diverse detector architectures (YOLOv5, SSD, Faster R-CNN, and RetinaNet). Comprehensive evaluation in CARLA across varying speeds, weather conditions, and lighting scenarios shows that PHANTOM achieves over 90\% attack success rate under optimal conditions and maintains 60-80\% effectiveness even in degraded environments. The attack activates within 6-10 meters of the target, providing insufficient time for safe maneuvering. Beyond individual vehicle deception, PHANTOM triggers network-wide disruption in CAV systems: SUMO-OMNeT++ co-simulation demonstrates that false emergency messages propagate through V2X links, increasing Peak Age of Information by 68-89\% and degrading safety-critical communication. These findings expose critical vulnerabilities in both perception and communication layers of CAV ecosystems.
Authors: Habibollah Safari, Mona Bavarian
Abstract: Predicting monomer reactivity ratios is crucial for controlling monomer sequence distribution in copolymers and their properties. Traditional experimental methods of determining reactivity ratios are time-consuming and resource-intensive, while existing computational methods often struggle with accuracy or scalability. Here, we present a method that combines unsupervised learning with artificial neural networks to predict reactivity ratios in radical copolymerization. By applying spectral clustering to physicochemical features of monomers, we identified three distinct monomer groups with characteristic reactivity patterns. This computationally efficient clustering approach revealed specific monomer group interactions leading to different sequence arrangements, including alternating, random, block, and gradient copolymers, providing chemical insights for initial exploration. Building upon these insights, we trained artificial neural networks to achieve quantitative reactivity ratio predictions. We explored two integration strategies including direct feature concatenation, and cluster-specific training, which demonstrated performance enhancements for targeted chemical domains compared to general training with equivalent sample sizes. However, models utilizing complete datasets outperformed specialized models trained on focused subsets, revealing a fundamental trade-off between chemical specificity and data availability. This work demonstrates that unsupervised learning offers rapid chemical insight for exploratory analysis, while supervised learning provides the accuracy necessary for final design predictions, with optimal strategies depending on data availability and application requirements.
Authors: Federico Ottomano, Yingzhen Li, Alex M. Ganose
Abstract: Molecular structure elucidation from spectroscopic data is a long-standing challenge in Chemistry, traditionally requiring expert interpretation. We introduce NMIRacle, a two-stage generative framework that builds upon recent paradigms in AI-driven spectroscopy with minimal assumptions. In the first stage, NMIRacle learns to reconstruct molecular structures from count-aware fragment encodings, which capture both fragment identities and their occurrences. In the second stage, a spectral encoder maps input spectroscopic measurements (IR, 1H-NMR, 13C-NMR) into a latent embedding that conditions the pre-trained generator. This formulation bridges fragment-level chemical modeling with spectral evidence, yielding accurate molecular predictions. Empirical results show that NMIRacle outperforms existing baselines on molecular elucidation, while maintaining robust performance across increasing levels of molecular complexity.
Authors: Joonsung Kang
Abstract: In quantum mechanics, observation actively shapes the system, paralleling the statistical notion of Missing Not At Random (MNAR). This study introduces a unified framework for \textbf{robust causal directionality inference} in quantum engineering, determining whether relations are system$\to$observation, observation$\to$system, or bidirectional. The method integrates CVAE-based latent constraints, MNAR-aware selection models, GEE-stabilized regression, penalized empirical likelihood, and Bayesian optimization. It jointly addresses quantum and classical noise while uncovering causal directionality, with theoretical guarantees for double robustness, perturbation stability, and oracle inequalities. Simulation and real-data analyses (TCGA gene expression, proteomics) show that the proposed MNAR-stabilized CVAE+GEE+AIPW+PEL framework achieves lower bias and variance, near-nominal coverage, and superior quantum-specific diagnostics. This establishes robust causal directionality inference as a key methodological advance for reliable quantum engineering.
Authors: Mark M. Wilde
Abstract: One of the primary applications of classical Boltzmann machines is generative modeling, wherein the goal is to tune the parameters of a model distribution so that it closely approximates a target distribution. Training relies on estimating the gradient of the relative entropy between the target and model distributions, a task that is well understood when the classical Boltzmann machine has both visible and hidden units. For some years now, it has been an obstacle to generalize this finding to quantum state learning with quantum Boltzmann machines that have both visible and hidden units. In this paper, I derive an analytical expression for the gradient of the quantum relative entropy between a target quantum state and the reduced state of the visible units of a quantum Boltzmann machine. Crucially, this expression is amenable to estimation on a quantum computer, as it involves modular-flow-generated unitary rotations reminiscent of those appearing in my prior work on rotated Petz recovery maps. This leads to a quantum algorithm for gradient estimation in this setting. I then specialize the setting to quantum visible units and classical hidden units, and vice versa, and provide analytical expressions for the gradients, along with quantum algorithms for estimating them. Finally, I replace the quantum relative entropy objective function with the Petz-Tsallis relative entropy; here I develop an analytical expression for the gradient and sketch a quantum algorithm for estimating it, as an application of a novel formula for the derivative of the matrix power function, which also involves modular-flow-generated unitary rotations. Ultimately, this paper demarcates progress in training quantum Boltzmann machines with visible and hidden units for generative modeling and quantum state learning.
Authors: Ziming Mao, Yihan Zhang, Chihan Cui, Kaichao You, Zhongjie Chen, Zhiying Xu, Scott Shenker, Costin Raiciu, Yang Zhou, Ion Stoica
Abstract: Mixture-of-Experts (MoE) workloads rely on expert parallelism (EP) to achieve high GPU efficiency. State-of-the-art EP communication systems such as DeepEP demonstrate strong performance but exhibit poor portability across heterogeneous GPU and NIC platforms. The poor portability is rooted in architecture: GPU-initiated token-level RDMA communication requires tight vertical integration between GPUs and NICs, e.g., GPU writes to NIC driver/MMIO interfaces. We present UCCL-EP, a portable EP communication system that delivers DeepEP-level performance across heterogeneous GPU and NIC hardware. UCCL-EP replaces GPU-initiated RDMA with a high-throughput GPU-CPU control channel: compact token-routing commands are transferred to multithreaded CPU proxies, which then issue GPUDirect RDMA operations on behalf of GPUs. UCCL-EP further emulates various ordering semantics required by specialized EP communication modes using RDMA immediate data, enabling correctness on NICs that lack such ordering, e.g., AWS EFA. We implement UCCL-EP on NVIDIA and AMD GPUs with EFA and Broadcom NICs. On EFA, it outperforms the best existing EP solution by up to $2.1\times$ for dispatch and combine throughput. On NVIDIA-only platform, UCCL-EP achieves comparable performance to the original DeepEP. UCCL-EP also improves token throughput on SGLang by up to 40% on the NVIDIA+EFA platform, and improves DeepSeek-V3 training throughput over the AMD Primus/Megatron-LM framework by up to 45% on a 16-node AMD+Broadcom platform.
Authors: Shreya Shukla, Yukari Yamauchi, Andrey Y. Lokhov, Scott Lawrence, Abhijith Jayakumar
Abstract: We introduce a learning method for recovering action parameters in lattice field theories. Our method is based on the minimization of a convex loss function constructed using the Schwinger-Dyson relations. We show that score matching, a popular learning method, is a special case of our construction of an infinite family of valid loss functions. Importantly, our general Schwinger-Dyson-based construction applies to gauge theories and models with Grassmann-valued fields used to represent dynamical fermions. In particular, we extend our method to realistic lattice field theories including quantum chromodynamics.
Authors: Pa\'ul Cumba-Armijos, Diego Riofr\'io-Luzcando, Ver\'onica Rodr\'iguez-Arboleda, Joe Carri\'on-Jumbo
Abstract: Recent recollected data suggests that it is possible to automatically detect events that may negatively affect the most vulnerable parts of our society, by using any communication technology like social networks or messaging applications. This research consolidates and prepares a corpus with Spanish bullying expressions taken from Twitter in order to use them as an input to train a convolutional neuronal network through deep learning techniques. As a result of this training, a predictive model was created, which can identify Spanish cyberbullying expressions such as insults, racism, homophobic attacks, and so on.
Authors: Matthew Drnevich, Stephen Jiggins, Kyle Cranmer
Abstract: We consider a generalization of the classifier-based density-ratio estimation task to a quasiprobabilistic setting where probability densities can be negative. The problem with most loss functions used for this task is that they implicitly define a relationship between the optimal classifier and the target quasiprobabilistic density ratio which is discontinuous or not surjective. We address these problems by introducing a convex loss function that is well-suited for both probabilistic and quasiprobabilistic density ratio estimation. To quantify performance, an extended version of the Sliced-Wasserstein distance is introduced which is compatible with quasiprobability distributions. We demonstrate our approach on a real-world example from particle physics, of di-Higgs production in association with jets via gluon-gluon fusion, and achieve state-of-the-art results.
Authors: Wentao Wu, Xiao Wang, Chenglong Li, Jin Tang, Bin Luo
Abstract: Vehicle-centric perception plays a crucial role in many intelligent systems, including large-scale surveillance systems, intelligent transportation, and autonomous driving. Existing approaches lack effective learning of vehicle-related knowledge during pre-training, resulting in poor capability for modeling general vehicle perception representations. To handle this problem, we propose VehicleMAE-V2, a novel vehicle-centric pre-trained large model. By exploring and exploiting vehicle-related multimodal structured priors to guide the masked token reconstruction process, our approach can significantly enhance the model's capability to learn generalizable representations for vehicle-centric perception. Specifically, we design the Symmetry-guided Mask Module (SMM), Contour-guided Representation Module (CRM) and Semantics-guided Representation Module (SRM) to incorporate three kinds of structured priors into token reconstruction including symmetry, contour and semantics of vehicles respectively. SMM utilizes the vehicle symmetry constraints to avoid retaining symmetric patches and can thus select high-quality masked image patches and reduce information redundancy. CRM minimizes the probability distribution divergence between contour features and reconstructed features and can thus preserve holistic vehicle structure information during pixel-level reconstruction. SRM aligns image-text features through contrastive learning and cross-modal distillation to address the feature confusion caused by insufficient semantic understanding during masked reconstruction. To support the pre-training of VehicleMAE-V2, we construct Autobot4M, a large-scale dataset comprising approximately 4 million vehicle images and 12,693 text descriptions. Extensive experiments on five downstream tasks demonstrate the superior performance of VehicleMAE-V2.
Authors: Suguru Shiratori, Elham Kiyani, Khemraj Shukla, George Em Karniadakis
Abstract: We develop a data-driven framework for discovering constitutive relations in models of fluid flow and scalar transport. Our approach infers unknown closure terms in the governing equations (gray-box discovery) under the assumption that the temporal derivative, convective transport, and pressure-gradient contributions are known. The formulation is rooted in a variational principle from nonequilibrium thermodynamics, where the dynamics is defined by a free-energy functional and a dissipation functional. The unknown constitutive terms arise as functional derivatives of these functionals with respect to the state variables. To enable a flexible and structured model discovery, the free-energy and dissipation functionals are parameterized using neural networks, while their functional derivatives are obtained via automatic differentiation. This construction enforces thermodynamic consistency by design, ensuring monotonic decay of the total free energy and non-negative entropy production. The resulting method, termed GIMLET (Generalizable and Interpretable Model Learning through Embedded Thermodynamics), avoids reliance on a predefined library of candidate functions, unlike sparse regression or symbolic identification approaches. The learned models are generalizable in that functionals identified from one dataset can be transferred to distinct datasets governed by the same underlying equations. Moreover, the inferred free-energy and dissipation functions provide direct physical interpretability of the learned dynamics. The framework is demonstrated on several benchmark systems, including the viscous Burgers equation, the Kuramoto--Sivashinsky equation, and the incompressible Navier--Stokes equations for both Newtonian and non-Newtonian fluids.
Authors: Mozes Jacobs, Thomas Fel, Richard Hakim, Alessandra Brondetta, Demba Ba, T. Andy Keller
Abstract: As Vision Transformers (ViTs) become standard vision backbones, a mechanistic account of their computational phenomenology is essential. Despite architectural cues that hint at dynamical structure, there is no settled framework that interprets Transformer depth as a well-characterized flow. In this work, we introduce the Block-Recurrent Hypothesis (BRH), arguing that trained ViTs admit a block-recurrent depth structure such that the computation of the original $L$ blocks can be accurately rewritten using only $k \ll L$ distinct blocks applied recurrently. Across diverse ViTs, between-layer representational similarity matrices suggest few contiguous phases. To determine whether these phases reflect genuinely reusable computation, we train block-recurrent surrogates of pretrained ViTs: Recurrent Approximations to Phase-structured TransfORmers (Raptor). In small-scale, we demonstrate that stochastic depth and training promote recurrent structure and subsequently correlate with our ability to accurately fit Raptor. We then provide an empirical existence proof for BRH by training a Raptor model to recover $96\%$ of DINOv2 ImageNet-1k linear probe accuracy in only 2 blocks at equivalent computational cost. Finally, we leverage our hypothesis to develop a program of Dynamical Interpretability. We find i) directional convergence into class-dependent angular basins with self-correcting trajectories under small perturbations, ii) token-specific dynamics, where cls executes sharp late reorientations while patch tokens exhibit strong late-stage coherence toward their mean direction, and iii) a collapse to low rank updates in late depth, consistent with convergence to low-dimensional attractors. Altogether, we find a compact recurrent program emerges along ViT depth, pointing to a low-complexity normative solution that enables these models to be studied through principled dynamical systems analysis.
Authors: Nikolaos Iliopoulos
Abstract: Metaheuristic algorithms for cardinality-constrained portfolio optimization require repair operators to map infeasible candidates onto the feasible region. Standard Euclidean projection treats assets as independent and can ignore the covariance structure that governs portfolio risk, potentially producing less diversified portfolios. This paper introduces Covariance-Aware Simplex Projection (CASP), a two-stage repair operator that (i) selects a target number of assets using volatility-normalized scores and (ii) projects the candidate weights using a covariance-aware geometry aligned with tracking-error risk. This provides a portfolio-theoretic foundation for using a covariance-induced distance in repair operators. On S&P 500 data (2020-2024), CASP-Basic delivers materially lower portfolio variance than standard Euclidean repair without relying on return estimates, with improvements that are robust across assets and statistically significant. Ablation results indicate that volatility-normalized selection drives most of the variance reduction, while the covariance-aware projection provides an additional, consistent improvement. We further show that optional return-aware extensions can improve Sharpe ratios, and out-of-sample tests confirm that gains transfer to realized performance. CASP integrates as a drop-in replacement for Euclidean projection in metaheuristic portfolio optimizers.
Authors: Tamim Ahasan Rijon, Yeasin Arafath
Abstract: As a significant agricultural country, Bangladesh utilizes its fertile land for guava cultivation and dedicated labor to boost its economic development. In a nation like Bangladesh, enhancing guava production and agricultural practices plays a crucial role in its economy. Anthracnose and fruit fly infection can lower the quality and productivity of guava, a crucial tropical fruit. Expert systems that detect diseases early can reduce losses and safeguard the harvest. Images of guava fruits classified into the Healthy, Fruit Flies, and Anthracnose classes are included in the Guava Fruit Disease Dataset 2024 (GFDD24), which comes from plantations in Rajshahi and Pabna, Bangladesh. This study aims to create models using CNN alongside traditional machine learning techniques that can effectively identify guava diseases in locally cultivated varieties in Bangladesh. In order to achieve the highest classification accuracy of approximately 99.99% for the guava dataset, we propose utilizing ensemble models that combine CNNML with Gradient Boosting Machine. In general, the CNN-ML cascade framework exhibits strong, high-accuracy guava disease detection that is appropriate for real-time agricultural monitoring systems.
Authors: Ming Li, Chenrui Fan, Yize Cheng, Soheil Feizi, Tianyi Zhou
Abstract: Large language models increasingly expose reasoning traces, yet their underlying cognitive structure and steps remain difficult to identify and analyze beyond surface-level statistics. We adopt Schoenfeld's Episode Theory as an inductive, intermediate-scale lens and introduce ThinkARM (Anatomy of Reasoning in Models), a scalable framework that explicitly abstracts reasoning traces into functional reasoning steps such as Analysis, Explore, Implement, Verify, etc. When applied to mathematical problem solving by diverse models, this abstraction reveals reproducible thinking dynamics and structural differences between reasoning and non-reasoning models, which are not apparent from token-level views. We further present two diagnostic case studies showing that exploration functions as a critical branching step associated with correctness, and that efficiency-oriented methods selectively suppress evaluative feedback steps rather than uniformly shortening responses. Together, our results demonstrate that episode-level representations make reasoning steps explicit, enabling systematic analysis of how reasoning is structured, stabilized, and altered in modern language models.
Authors: Rahul Yumlembam, Biju Issac, Seibu Mary Jacob, Longzhi Yang
Abstract: Since the Internet of Things (IoT) is widely adopted using Android applications, detecting malicious Android apps is essential. In recent years, Android graph-based deep learning research has proposed many approaches to extract relationships from applications as graphs to generate graph embeddings. First, we demonstrate the effectiveness of graph-based classification using a Graph Neural Network (GNN)-based classifier to generate API graph embeddings. The graph embeddings are combined with Permission and Intent features to train multiple machine learning and deep learning models for Android malware detection. The proposed classification approach achieves an accuracy of 98.33 percent on the CICMaldroid dataset and 98.68 percent on the Drebin dataset. However, graph-based deep learning models are vulnerable, as attackers can add fake relationships to evade detection by the classifier. Second, we propose a Generative Adversarial Network (GAN)-based attack algorithm named VGAE-MalGAN targeting graph-based GNN Android malware classifiers. The VGAE-MalGAN generator produces adversarial malware API graphs, while the VGAE-MalGAN substitute detector attempts to mimic the target detector. Experimental results show that VGAE-MalGAN can significantly reduce the detection rate of GNN-based malware classifiers. Although the model initially fails to detect adversarial malware, retraining with generated adversarial samples improves robustness and helps mitigate adversarial attacks.
Authors: Zhihan Huang, Ziang Niu
Abstract: Goodness-of-fit (GoF) tests are fundamental for assessing model adequacy. Score-based tests are appealing because they require fitting the model only once under the null. However, extending them to powerful nonparametric alternatives is difficult due to the lack of suitable score functions. Through a class of exponentially tilted models, we show that the resulting score-based GoF tests are equivalent to the tests based on integral probability metrics (IPMs) indexed by a function class. When the class is rich, the test is universally consistent. This simple yet insightful perspective enables reinterpretation of classical distance-based testing procedures-including those based on Kolmogorov-Smirnov distance, Wasserstein-1 distance, and maximum mean discrepancy-as arising from score-based constructions. Building on this insight, we propose a new nonparametric score-based GoF test through a special class of IPM induced by kernelized Stein's function class, called semiparametric kernelized Stein discrepancy (SKSD) test. Compared with other nonparametric score-based tests, the SKSD test is computationally efficient and accommodates general nuisance-parameter estimators, supported by a generic parametric bootstrap procedure. The SKSD test is universally consistent and attains Pitman efficiency. Moreover, SKSD test provides simple GoF tests for models with intractable likelihoods but tractable scores with the help of Stein's identity and we use two popular models, kernel exponential family and conditional Gaussian models, to illustrate the power of our method. Our method achieves power comparable to task-specific normality tests such as Anderson-Darling and Lilliefors, despite being designed for general nonparametric alternatives.
Authors: Qiushuo Hou, Sangwoo Park, Matteo Zecchin, Yunlong Cai, Guanding Yu, Osvaldo Simeone, Tommaso Melodia
Abstract: Large language models (LLMs) are emerging as key enablers of automation in domains such as telecommunications, assisting with tasks including troubleshooting, standards interpretation, and network optimization. However, their deployment in practice must balance inference cost, latency, and reliability. In this work, we study an edge-cloud-expert cascaded LLM-based knowledge system that supports decision-making through a question-and-answer pipeline. In it, an efficient edge model handles routine queries, a more capable cloud model addresses complex cases, and human experts are involved only when necessary. We define a misalignment-cost constrained optimization problem, aiming to minimize average processing cost, while guaranteeing alignment of automated answers with expert judgments. We propose a statistically rigorous threshold selection method based on multiple hypothesis testing (MHT) for a query processing mechanism based on knowledge and confidence tests. The approach provides finite-sample guarantees on misalignment risk. Experiments on the TeleQnA dataset -- a telecom-specific benchmark -- demonstrate that the proposed method achieves superior cost-efficiency compared to conventional cascaded baselines, while ensuring reliability at prescribed confidence levels.
Authors: Anna R. Flowers, Christopher T. Franck, Robert B. Gramacy, Justin A. Krometis
Abstract: Collecting operationally realistic data to inform machine learning models can be costly. Before collecting new data, it is helpful to understand where a model is deficient. For example, object detectors trained on images of rare objects may not be good at identification in poorly represented conditions. We offer a way of informing subsequent data acquisition to maximize model performance by leveraging the toolkit of computer experiments and metadata describing the circumstances under which the training data was collected (e.g., season, time of day, location). We do this by evaluating the learner as the training data is varied according to its metadata. A Gaussian process (GP) surrogate fit to that response surface can inform new data acquisitions. This meta-learning approach offers improvements to learner performance as compared to data with randomly selected metadata, which we illustrate on both classic learning examples, and on a motivating application involving the collection of aerial images in search of airplanes.
Authors: Shubhanshu Shekhar
Abstract: We consider the problem of designing optimal level-$\alpha$ power-one tests for composite nulls. Given a parameter $\alpha \in (0,1)$ and a stream of $\mathcal{X}$-valued observations $\{X_n: n \geq 1\} \overset{i.i.d.}{\sim} P$, the goal is to design a level-$\alpha$ power-one test $\tau_\alpha$ for the null $H_0: P \in \mathcal{P}_0 \subset \mathcal{P}(\mathcal{X})$. Prior works have shown that any such $\tau_\alpha$ must satisfy $\mathbb{E}_P[\tau_\alpha] \geq \tfrac{\log(1/\alpha)}{\gamma^*(P, \mathcal{P}_0)}$, where $\gamma^*(P, \mathcal{P}_0)$ is the so-called $\mathrm{KL}_{\inf}$ or minimum divergence of $P$ to the null class. In this paper, our objective is to develop and analyze constructive schemes that match this lower bound as $\alpha \downarrow 0$. We first consider the finite-alphabet case~($|\mathcal{X}| = m < \infty$), and show that a test based on \emph{universal} $e$-process~(formed by the ratio of a universal predictor and the running null MLE) is optimal in the above sense. The proof relies on a Donsker-Varadhan~(DV) based saddle-point representation of $\mathrm{KL}_{\inf}$, and an application of Sion's minimax theorem. This characterization motivates a general method for arbitrary $\mathcal{X}$: construct an $e$-process based on the empirical solutions to the saddle-point representation over a sufficiently rich class of test functions. We give sufficient conditions for the optimality of this test for compact convex nulls, and verify them for H\"older smooth density models. We end the paper with a discussion on the computational aspects of implementing our proposed tests in some practical settings.
Authors: H. Li, J. Sun, Z. Zhang
Abstract: We consider operator learning for efficiently solving parametric non-selfadjoint eigenvalue problems. To overcome the spectral instability and mode switching inherent in non-selfadjoint operators, we introduce a hybrid framework that learns the stable invariant eigensubspace mapping rather than individual eigenfunctions. We proposed a Deep Eigenspace Network (DEN) architecture integrating Fourier Neural Operators, geometry-adaptive POD bases, and explicit banded cross-mode mixing mechanisms to capture complex spectral dependencies on unstructured meshes. We apply DEN to the parametric non-selfadjoint Steklov eigenvalue problem and provide theoretical proofs for the Lipschitz continuity of the eigensubspace with respect to the parameters. In addition, we derive error bounds for the reconstruction of the eigenspace. Numerical experiments validate DEN's high accuracy and zero-shot generalization capabilities across different discretizations.
Authors: Ziyang Fan, Li Tao, Yi Wang, Jingwei Qu, Ying Wang, Fei Jiang
Abstract: Student engagement is a critical factor influencing academic success and learning outcomes. Accurately predicting student engagement is essential for optimizing teaching strategies and providing personalized interventions. However, most approaches focus on single-dimensional feature analysis and assessing engagement based on individual student factors. In this work, we propose a dual-stream multi-feature fusion model based on hypergraph convolutional networks (DS-HGCN), incorporating social contagion of student engagement. DS-HGCN enables accurate prediction of student engagement states by modeling multi-dimensional features and their propagation mechanisms between students. The framework constructs a hypergraph structure to encode engagement contagion among students and captures the emotional and behavioral differences and commonalities by multi-frequency signals. Furthermore, we introduce a hypergraph attention mechanism to dynamically weigh the influence of each student, accounting for individual differences in the propagation process. Extensive experiments on public benchmark datasets demonstrate that our proposed method achieves superior performance and significantly outperforms existing state-of-the-art approaches.
Authors: Aly Lidayan, Jakob Bjorner, Satvik Golechha, Kartik Goyal, Alane Suhr
Abstract: As the length of sequential decision-making tasks increases, it becomes computationally impractical to keep full interaction histories in context. We introduce a general framework for LLM agents to maintain concise contexts through multi-step interaction: Acting through Belief Bottlenecks Expressed in Language (ABBEL), and methods to further improve ABBEL agents with RL post-training. ABBEL replaces long multi-step interaction history by a belief state, i.e., a natural language summary of what has been discovered about task-relevant unknowns. Under ABBEL, at each step the agent first updates a prior belief with the most recent observation from the environment to form a posterior belief, then uses only the posterior to select an action. We systematically evaluate frontier models under ABBEL across six diverse multi-step environments, finding that ABBEL supports generating interpretable beliefs while maintaining near-constant memory use over interaction steps. However, bottleneck approaches are generally prone to error propagation, which we observe causing inferior performance when compared to the full context setting due to errors in belief updating. Therefore, we train LLMs to generate and act on beliefs within the ABBEL framework via reinforcement learning (RL). We experiment with belief grading, to reward higher quality beliefs, as well as belief length penalties to reward more compressed beliefs. Our experiments demonstrate the ability of RL to improve ABBEL's performance beyond the full context setting, while using less memory than contemporaneous approaches.
Authors: Xiang Chen, Yixin Ou, Quan Feng, Lei Li, Piji Li, Haibo Ye, Sheng-Jun Huang, Shuofei Qiao, Shumin Deng, Huajun Chen, Ningyu Zhang
Abstract: The pre-trained foundation models (PFMs) have become essential for facilitating large-scale multimodal learning. Researchers have effectively employed the ``pre-train, prompt, and predict'' paradigm through prompt learning to induce improved few-shot performance. However, prompt learning approaches for PFMs still follow a parametric learning paradigm. As such, the stability of generalization in memorization and rote learning can be compromised. More specifically, conventional prompt learning might face difficulties in fully utilizing atypical instances and avoiding overfitting to shallow patterns with limited data during the process of fully-supervised training. To overcome these constraints, we present our approach, named RetroPrompt, which aims to achieve a balance between memorization and generalization by decoupling knowledge from mere memorization. Unlike traditional prompting methods, RetroPrompt leverages a publicly accessible knowledge base generated from the training data and incorporates a retrieval mechanism throughout the input, training, and inference stages. This enables the model to actively retrieve relevant contextual information from the corpus, thereby enhancing the available cues. We conduct comprehensive experiments on a variety of datasets across natural language processing and computer vision tasks to demonstrate the superior performance of our proposed approach, RetroPrompt, in both zero-shot and few-shot scenarios. Through detailed analysis of memorization patterns, we observe that RetroPrompt effectively reduces the reliance on rote memorization, leading to enhanced generalization.
Authors: Songze Li, Jiameng Cheng, Yiming Li, Xiaojun Jia, Dacheng Tao
Abstract: By integrating language understanding with perceptual modalities such as images, multimodal large language models (MLLMs) constitute a critical substrate for modern AI systems, particularly intelligent agents operating in open and interactive environments. However, their increasing accessibility also raises heightened risks of misuse, such as generating harmful or unsafe content. To mitigate these risks, alignment techniques are commonly applied to align model behavior with human values. Despite these efforts, recent studies have shown that jailbreak attacks can circumvent alignment and elicit unsafe outputs. Currently, most existing jailbreak methods are tailored for open-source models and exhibit limited effectiveness against commercial MLLM-integrated systems, which often employ additional filters. These filters can detect and prevent malicious input and output content, significantly reducing jailbreak threats. In this paper, we reveal that the success of these safety filters heavily relies on a critical assumption that malicious content must be explicitly visible in either the input or the output. This assumption, while often valid for traditional LLM-integrated systems, breaks down in MLLM-integrated systems, where attackers can leverage multiple modalities to conceal adversarial intent, leading to a false sense of security in existing MLLM-integrated systems. To challenge this assumption, we propose Odysseus, a novel jailbreak paradigm that introduces dual steganography to covertly embed malicious queries and responses into benign-looking images. Extensive experiments on benchmark datasets demonstrate that our Odysseus successfully jailbreaks several pioneering and realistic MLLM-integrated systems, achieving up to 99% attack success rate. It exposes a fundamental blind spot in existing defenses, and calls for rethinking cross-modal security in MLLM-integrated systems.
Authors: Matthias K. Hoffmann, Amine Othmane, Kathrin Fla{\ss}kamp
Abstract: Many engineering tasks require solving families of nonlinear constrained optimization problems, parametrized in setting-specific variables. This is computationally demanding, particularly, if solutions have to be computed across strongly varying parameter values, e.g., in real-time control or for model-based design. Thus, we propose to learn the mapping from parameters to the primal optimal solutions and to their corresponding duals using neural networks, giving a dense estimation in contrast to gridded approaches. Our approach, Optimality-informed Neural Networks (OptINNs), combines (i) a KKT-residual loss that penalizes violations of the first-order optimality conditions under standard constraint qualifications assumptions, and (ii) problem-specific output activations that enforce simple inequality constraints (e.g., box-type/positivity) by construction. This design reduces data requirements, allows the prediction of dual variables, and improves feasibility and closeness to optimality compared to penalty-only training. Taking quadratic penalties as a baseline, since this approach has been previously proposed for the considered problem class in literature, our method simplifies hyperparameter tuning and attains tighter adherence to optimality conditions. We evaluate OptINNs on different nonlinear optimization problems ranging from low to high dimensions. On small problems, OptINNs match a quadratic-penalty baseline in primal accuracy while additionally predicting dual variables with low error. On larger problems, OptINNs achieve lower constraint violations and lower primal error compared to neural networks based on the quadratic-penalty method. These results suggest that embedding feasibility and optimality into the network architecture and loss can make learning-based surrogates more accurate, feasible, and data-efficient for parametric optimization.
Authors: Mebin Jose, Jisha Francis, Sudheesh Kumar Kattumannil
Abstract: Survival analysis relies fundamentally on the semi-parametric Cox Proportional Hazards (CoxPH) model and the parametric Accelerated Failure Time (AFT) model. CoxPH assumes constant hazard ratios, often failing to capture real-world dynamics, while traditional AFT models are limited by rigid distributional assumptions. Although deep learning models like DeepAFT address these constraints by improving predictive accuracy and handling censoring, they inherit the significant challenge of black-box interpretability. The recent introduction of CoxKAN demonstrated the successful integration of Kolmogorov-Arnold Networks (KANs), a novel architecture that yields highly accurate and interpretable symbolic representations, within the CoxPH framework. Motivated by the interpretability gains of CoxKAN, we introduce KAN-AFT (Kolmogorov Arnold Network-based AFT), the first framework to apply KANs to the AFT model. KAN-AFT effectively models complex nonlinear relationships within the AFT framework. Our primary contributions include: (i) a principled AFT-KAN formulation, (ii) robust optimization strategies for right-censored observations (e.g., Buckley-James and IPCW), and (iii) an interpretability pipeline that converts the learned spline functions into closed-form symbolic equations for survival time. Empirical results on multiple datasets confirm that KAN-AFT achieves performance comparable to or better than DeepAFT, while uniquely providing transparent, symbolic models of the survival process.
Authors: Yoshihiro Maruyama
Abstract: We present the Chromatic Persistence Algorithm (CPA), an event-driven method for computing persistent cohomological features of weighted graphs via graphic arrangements, a classical object in computational geometry. We establish rigorous complexity results: CPA is exponential in the worst case, fixed-parameter tractable in treewidth, and nearly linear for common graph families such as trees, cycles, and series-parallel graphs. Finally, we demonstrate its practical applicability through a controlled experiment on molecular-like graph structures.
Authors: Yoshihiro Maruyama
Abstract: Exterior powers play important roles in persistent homology in computational geometry. In the present paper we study the problem of extracting the $K$ longest intervals of the exterior-power layers of a tame persistence module. We prove a structural decomposition theorem that organizes the exterior-power layers into monotone per-anchor streams with explicit multiplicities, enabling a best-first algorithm. We also show that the Top-$K$ length vector is $2$-Lipschitz under bottleneck perturbations of the input barcode, and prove a comparison-model lower bound. Our experiments confirm the theory, showing speedups over full enumeration in high overlap cases. By enabling efficient extraction of the most prominent features, our approach makes higher-order persistence feasible for large datasets and thus broadly applicable to machine learning, data science, and scientific computing.
Authors: Antonio Vitale, Khai-Nguyen Nguyen, Denys Poshyvanyk, Rocco Oliveto, Simone Scalabrino, Antonio Mastropaolo
Abstract: Recent progress in Large Language Models (LLMs) has substantially advanced the automation of software engineering (SE) tasks, enabling complex activities such as code generation and code summarization. However, the black-box nature of LLMs remains a major barrier to their adoption in high-stakes and safety-critical domains, where explainability and transparency are vital for trust, accountability, and effective human supervision. Despite increasing interest in explainable AI for software engineering, existing methods lack domain-specific explanations aligned with how practitioners reason about SE artifacts. To address this gap, we introduce FeatureSHAP, the first fully automated, model-agnostic explainability framework tailored to software engineering tasks. Based on Shapley values, FeatureSHAP attributes model outputs to high-level input features through systematic input perturbation and task-specific similarity comparisons, while remaining compatible with both open-source and proprietary LLMs. We evaluate FeatureSHAP on two bi-modal SE tasks: code generation and code summarization. The results show that FeatureSHAP assigns less importance to irrelevant input features and produces explanations with higher fidelity than baseline methods. A practitioner survey involving 37 participants shows that FeatureSHAP helps practitioners better interpret model outputs and make more informed decisions. Collectively, FeatureSHAP represents a meaningful step toward practical explainable AI in software engineering. FeatureSHAP is available at https://github.com/deviserlab/FeatureSHAP.
Authors: Samya Praharaj, Koulik Khamaru
Abstract: Statistical inference in contextual bandits is complicated by the adaptive, non-i.i.d. nature of the data. A growing body of work has shown that classical least-squares inference may fail under adaptive sampling, and that constructing valid confidence intervals for linear functionals of the model parameter typically requires paying an unavoidable inflation of order $\sqrt{d \log T}$. This phenomenon -- often referred to as the price of adaptivity -- highlights the inherent difficulty of reliable inference under general contextual bandit policies. A key structural property that circumvents this limitation is the \emph{stability} condition of Lai and Wei, which requires the empirical feature covariance to concentrate around a deterministic limit. When stability holds, the ordinary least-squares estimator satisfies a central limit theorem, and classical Wald-type confidence intervals -- designed for i.i.d. data -- become asymptotically valid even under adaptation, \emph{without} incurring the $\sqrt{d \log T}$ price of adaptivity. In this paper, we propose and analyze a penalized EXP4 algorithm for linear contextual bandits. Our first main result shows that this procedure satisfies the Lai--Wei stability condition and therefore admits valid Wald-type confidence intervals for linear functionals. Our second result establishes that the same algorithm achieves regret guarantees that are minimax optimal up to logarithmic factors, demonstrating that stability and statistical efficiency can coexist within a single contextual bandit method. Finally, we complement our theory with simulations illustrating the empirical normality of the resulting estimators and the sharpness of the corresponding confidence intervals.
Authors: Rajdeep Chatterjee, Sudip Chakrabarty, Trishaani Acharjee, Deepanjali Mishra
Abstract: Unmanned aerial vehicles (UAVs), commonly known as drones, are increasingly used across diverse domains, including logistics, agriculture, surveillance, and defense. While these systems provide numerous benefits, their misuse raises safety and security concerns, making effective detection mechanisms essential. Acoustic sensing offers a low-cost and non-intrusive alternative to vision or radar-based detection, as drone propellers generate distinctive sound patterns. This study introduces AUDRON (AUdio-based Drone Recognition Network), a hybrid deep learning framework for drone sound detection, employing a combination of Mel-Frequency Cepstral Coefficients (MFCC), Short-Time Fourier Transform (STFT) spectrograms processed with convolutional neural networks (CNNs), recurrent layers for temporal modeling, and autoencoder-based representations. Feature-level fusion integrates complementary information before classification. Experimental evaluation demonstrates that AUDRON effectively differentiates drone acoustic signatures from background noise, achieving high accuracy while maintaining generalizability across varying conditions. AUDRON achieves 98.51 percent and 97.11 percent accuracy in binary and multiclass classification. The results highlight the advantage of combining multiple feature representations with deep learning for reliable acoustic drone detection, suggesting the framework's potential for deployment in security and surveillance applications where visual or radar sensing may be limited.
Authors: Ilias Aarab
Abstract: A growing empirical literature suggests that equity-premium predictability is state dependent, with much of the forecasting power concentrated around recessionary periods \parencite{Henkel2011,DanglHalling2012,Devpura2018}. I study U.S. stock return predictability across economic regimes and document strong evidence of time-varying expected returns across both expansionary and contractionary states. I contribute in two ways. First, I introduce a state-switching predictive regression in which the market state is defined in real time using the slope of the yield curve. Relative to the standard one-state predictive regression, the state-switching specification increases both in-sample and out-of-sample performance for the set of popular predictors considered by \textcite{WelchGoyal2008}, improving the out-of-sample performance of most predictors in economically meaningful ways. Second, I propose a new aggregate predictor, the Aligned Economic Index, constructed via partial least squares (PLS). Under the state-switching model, the Aligned Economic Index exhibits statistically and economically significant predictive power in sample and out of sample, and it outperforms widely used benchmark predictors and alternative predictor-combination methods.
Authors: Masahiro Kato
Abstract: This study proposes Riesz representer estimation methods based on score matching. The Riesz representer is a key component in debiased machine learning for constructing $\sqrt{n}$-consistent and efficient estimators in causal inference and structural parameter estimation. To estimate the Riesz representer, direct approaches have garnered attention, such as Riesz regression and the covariate balancing propensity score. These approaches can also be interpreted as variants of direct density ratio estimation (DRE) in several applications such as average treatment effect estimation. In DRE, it is well known that flexible models can easily overfit the observed data due to the estimand and the form of the loss function. To address this issue, recent work has proposed modeling the density ratio as a product of multiple intermediate density ratios and estimating it using score-matching techniques, which are often used in the diffusion model literature. We extend score-matching-based DRE methods to Riesz representer estimation. Our proposed method not only mitigates overfitting but also provides insights for causal inference by bridging marginal effects and average policy effects through time score functions.
Authors: Kyriakos Stylianopoulos, Paolo Di Lorenzo, George C. Alexandropoulos
Abstract: Goal-oriented communications offer an attractive alternative to the Shannon-based communication paradigm, where the data is never reconstructed at the Receiver (RX) side. Rather, focusing on the case of edge inference, the Transmitter (TX) and the RX cooperate to exchange features of the input data that will be used to predict an unseen attribute of them, leveraging information from collected data sets. This chapter demonstrates that the wireless channel can be used to perform computations over the data, when equipped with programmable metasurfaces. The end-to-end system of the TX, RX, and MS-based channel is treated as a single deep neural network which is trained through backpropagation to perform inference on unseen data. Using Stacked Intelligent Metasurfaces (SIM), it is shown that this Metasurfaces-Integrated Neural Network (MINN) can achieve performance comparable to fully digital neural networks under various system parameters and data sets. By offloading computations onto the channel itself, important benefits may be achieved in terms of energy consumption, arising from reduced computations at the transceivers and smaller transmission power required for successful inference.
Authors: Yingzhen Yang
Abstract: We study the problem of learning a low-degree spherical polynomial of degree $\ell_0 = \Theta(1) \ge 1$ defined on the unit sphere in $\RR^d$ by training an over-parameterized two-layer neural network (NN) with channel attention in this paper. Our main result is the significantly improved sample complexity for learning such low-degree polynomials. We show that, for any regression risk $\eps \in (0,1)$, a carefully designed two-layer NN with channel attention and finite width of $m \ge \Theta({n^4 \log (2n/\delta)}/{d^{2\ell_0}})$ trained by the vanilla gradient descent (GD) requires the lowest sample complexity of $n \asymp \Theta(d^{\ell_0}/\eps)$ with probability $1-\delta$ for every $\delta \in (0,1)$, in contrast with the representative sample complexity $\Theta\pth{d^{\ell_0} \max\set{\eps^{-2},\log d}}$, where $n$ is the training daata size. Moreover, such sample complexity is not improvable since the trained network renders a sharp rate of the nonparametric regression risk of the order $\Theta(d^{\ell_0}/{n})$ with probability at least $1-\delta$. On the other hand, the minimax optimal rate for the regression risk with a kernel of rank $\Theta(d^{\ell_0})$ is $\Theta(d^{\ell_0}/{n})$, so that the rate of the nonparametric regression risk of the network trained by GD is minimax optimal. The training of the two-layer NN with channel attention consists of two stages. In Stage 1, a provable learnable channel selection algorithm identifies the ground-truth channel number $\ell_0$ from the initial $L \ge \ell_0$ channels in the first-layer activation, with high probability. This learnable selection is achieved by an efficient one-step GD update on both layers, enabling feature learning for low-degree polynomial targets. In Stage 2, the second layer is trained by standard GD using the activation function with the selected channels.
Authors: Long Nguyen, Micha Fauth, Bernhard Jaeger, Daniel Dauner, Maximilian Igl, Andreas Geiger, Kashyap Chitta
Abstract: Simulators can generate virtually unlimited driving data, yet imitation learning policies in simulation still struggle to achieve robust closed-loop performance. Motivated by this gap, we empirically study how misalignment between privileged expert demonstrations and sensor-based student observations can limit the effectiveness of imitation learning. More precisely, experts have significantly higher visibility (e.g., ignoring occlusions) and far lower uncertainty (e.g., knowing other vehicles' actions), making them difficult to imitate reliably. Furthermore, navigational intent (i.e., the route to follow) is under-specified in student models at test time via only a single target point. We demonstrate that these asymmetries can measurably limit driving performance in CARLA and offer practical interventions to address them. After careful modifications to narrow the gaps between expert and student, our TransFuser v6 (TFv6) student policy achieves a new state of the art on all major publicly available CARLA closed-loop benchmarks, reaching 95 DS on Bench2Drive and more than doubling prior performances on Longest6~v2 and Town13. Additionally, by integrating perception supervision from our dataset into a shared sim-to-real pipeline, we show consistent gains on the NAVSIM and Waymo Vision-Based End-to-End driving benchmarks. Our code, data, and models are publicly available at https://github.com/autonomousvision/lead.
Authors: Daewoon Kim, Si Young Yie, Jae Sung Lee
Abstract: This paper proposes FedPOD (Proportionally Orchestrated Derivative) for optimizing learning efficiency and communication cost in federated learning among multiple clients. Inspired by FedPIDAvg, we define a round-wise task for FedPOD to enhance training efficiency. FedPIDAvg achieved performance improvement by incorporating the training loss reduction for prediction entropy as weights using differential terms. Furthermore, by modeling data distribution with a Poisson distribution and using a PID controller, it reduced communication costs even in skewed data distribution. However, excluding participants classified as outliers based on the Poisson distribution can limit data utilization. Additionally, PID controller requires the same participants to be maintained throughout the federated learning process as it uses previous rounds' learning information in the current round. In our approach, FedPOD addresses these issues by including participants excluded as outliers, eliminating dependency on previous rounds' learning information, and applying a method for calculating validation loss at each round. In this challenge, FedPOD presents comparable performance to FedPIDAvg in metrics of Dice score, 0.78, 0.71 and 0.72 for WT, ET and TC in average, and projected convergence score, 0.74 in average. Furthermore, the concept of FedPOD draws inspiration from Kubernetes' smallest computing unit, POD, designed to be compatible with Kubernetes auto-scaling. Extending round-wise tasks of FedPOD to POD units allows flexible design by applying scale-out similar to Kubernetes' auto-scaling. This work demonstrated the potentials of FedPOD to enhance federated learning by improving efficiency, flexibility, and performance in metrics.
Authors: Runtao Liu, Ziyi Liu, Jiaqi Tang, Yue Ma, Renjie Pi, Jipeng Zhang, Qifeng Chen
Abstract: Recent advances in multimodal LLMs and systems that use tools for long-video QA point to the promise of reasoning over hour-long episodes. However, many methods still compress content into lossy summaries or rely on limited toolsets, weakening temporal grounding and missing fine-grained cues. We propose a multi-agent framework in which a master LLM coordinates a grounding agent to localize question-relevant segments and a vision agent to extract targeted textual observations. The master agent plans with a step limit, and is trained with reinforcement learning to encourage concise, correct, and efficient multi-agent cooperation. This design helps the master agent focus on relevant clips via grounding, complements subtitles with visual detail, and yields interpretable trajectories. On our proposed LongTVQA and LongTVQA+ which are episode-level datasets aggregated from TVQA/TVQA+, our multi-agent system significantly outperforms strong non-agent baselines. Experiments also show reinforcement learning further strengthens reasoning and planning for the trained agent. Code and data will be shared at https://longvideoagent.github.io/.
Authors: Kichang Lee, Pei Zhang, Songkuk Kim, JeongGil Ko
Abstract: Federated learning is inherently hampered by data heterogeneity: non-i.i.d. training data over local clients. We propose a novel model training approach for federated learning, FLex&Chill, which exploits the Logit Chilling method. Through extensive evaluations, we demonstrate that, in the presence of non-i.i.d. data characteristics inherent in federated learning systems, this approach can expedite model convergence and improve inference accuracy. Quantitatively, from our experiments, we observe up to 6X improvement in the global federated learning model convergence time, and up to 3.37% improvement in inference accuracy.
Authors: Minho Lee, Yun Young Choi, Sun Woo Park, Seunghwan Lee, Joohwan Ko, Jaeyoung Hong
Abstract: Graph Neural Networks (GNNs) and Transformer-based models have been increasingly adopted to learn the complex vector representations of spatio-temporal graphs, capturing intricate spatio-temporal dependencies crucial for applications such as traffic datasets. Although many existing methods utilize multi-head attention mechanisms and message-passing neural networks (MPNNs) to capture both spatial and temporal relations, these approaches encode temporal and spatial relations independently, and reflect the graph's topological characteristics in a limited manner. In this work, we introduce the Cycle to Mixer (Cy2Mixer), a novel spatio-temporal GNN based on topological non-trivial invariants of spatio-temporal graphs with gated multi-layer perceptrons (gMLP). The Cy2Mixer is composed of three blocks based on MLPs: A temporal block for capturing temporal properties, a message-passing block for encapsulating spatial information, and a cycle message-passing block for enriching topological information through cyclic subgraphs. We bolster the effectiveness of Cy2Mixer with mathematical evidence emphasizing that our cycle message-passing block is capable of offering differentiated information to the deep learning model compared to the message-passing block. Furthermore, empirical evaluations substantiate the efficacy of the Cy2Mixer, demonstrating state-of-the-art performances across various spatio-temporal benchmark datasets. The source code is available at https://github.com/leemingo/cy2mixer.
Authors: Lise Le Boudec, Emmanuel de Bezenac, Louis Serrano, Ramon Daniel Regueiro-Espino, Yuan Yin, Patrick Gallinari
Abstract: Physics-informed deep learning often faces optimization challenges due to the complexity of solving partial differential equations (PDEs), which involve exploring large solution spaces, require numerous iterations, and can lead to unstable training. These challenges arise particularly from the ill-conditioning of the optimization problem caused by the differential terms in the loss function. To address these issues, we propose learning a solver, i.e., solving PDEs using a physics-informed iterative algorithm trained on data. Our method learns to condition a gradient descent algorithm that automatically adapts to each PDE instance, significantly accelerating and stabilizing the optimization process and enabling faster convergence of physics-aware models. Furthermore, while traditional physics-informed methods solve for a single PDE instance, our approach extends to parametric PDEs. Specifically, we integrate the physical loss gradient with PDE parameters, allowing our method to solve over a distribution of PDE parameters, including coefficients, initial conditions, and boundary conditions. We demonstrate the effectiveness of our approach through empirical experiments on multiple datasets, comparing both training and test-time optimization performance. The code is available at https://github.com/2ailesB/neural-parametric-solver.
Authors: Silin Chen, Ziqian Bi, Junyu Liu, Benji Peng, Sen Zhang, Xuanhe Pan, Jiawei Xu, Jinlang Wang, Keyu Chen, Caitlyn Heqi Yin, Pohsun Feng, Yizhu Wen, Tianyang Wang, Ming Li, Jintao Ren, Qian Niu, Xinyuan Song, Ming Liu
Abstract: This book provides a comprehensive introduction to the foundational concepts of machine learning (ML) and deep learning (DL). It bridges the gap between theoretical mathematics and practical application, focusing on Python as the primary programming language for implementing key algorithms and data structures. The book covers a wide range of topics, including basic and advanced Python programming, fundamental mathematical operations, matrix operations, linear algebra, and optimization techniques crucial for training ML and DL models. Advanced subjects like neural networks, optimization algorithms, and frequency domain methods are also explored, along with real-world applications of large language models (LLMs) and artificial intelligence (AI) in big data management. Designed for both beginners and advanced learners, the book emphasizes the critical role of mathematical principles in developing scalable AI solutions. Practical examples and Python code are provided throughout, ensuring readers gain hands-on experience in applying theoretical knowledge to solve complex problems in ML, DL, and big data analytics.
Authors: Boyang Zhang, Daning Cheng, Yunquan Zhang, Jiake Tian, Jing Li, Fangming Liu
Abstract: Post-Training Quantization (PTQ) converts pre-trained Full-Precision (FP) models into quantized versions without training. While existing methods reduce size and computational costs, they also significantly degrade performance and quantization efficiency at extremely low settings due to quantization noise. We introduce a deep model series expansion framework to address this issue, enabling rapid and accurate approximation of unquantized models without calibration sets or fine-tuning. This is the first use of series expansion for neural network quantization. Specifically, our method expands the FP model into multiple low-bit basis models. To ensure accurate quantization, we develop low-bit basis model expansions at different granularities (tensor, layer, model), and theoretically confirm their convergence to the dense model, thus restoring FP model accuracy. Additionally, we design AbelianAdd/Mul operations between isomorphic models in the low-bit expansion, forming an Abelian group to ensure operation parallelism and commutativity. The experiments show that our algorithm achieves state-of-the-art performance in low-bit settings; for example, 4-bit quantization of ResNet-50 surpasses the original accuracy, reaching 77.03%. The code will be made public.
Authors: Boyang Zhang, Daning Cheng, Yunquan Zhang, Fangming Liu, Jiake Tian
Abstract: Low-rank factorization is a popular model compression technique that minimizes the error $\delta$ between approximated and original weight matrices. Despite achieving performances close to the original models when $\delta$ is optimized, a performance discrepancy remains due to the separate optimization processes for low-rank factorization and model performance, resulting in unavoidable losses. We address this issue by introducing a novel joint optimization strategy for lossless low-rank weight factorization, which, for the first time, enhances the model's performance beyond the original. Our approach begins with a theoretical analysis of the relationship between low-rank factorization and model optimization objectives, establishing a precise perturbation range for matrix factorization errors on model performance. This challenge is then reformulated as a numerical rank deficiency problem with inequality constraints and develop a joint objective that simultaneously addresses factorization error and model performance. Based on the above analysis, we propose two optimization algorithms: \textbf{a lossless optimization algorithm} that maximizes model accuracy while ensuring compression, and \textbf{a compact optimization algorithm} that minimizes model size while preserving performance. These algorithms do not require fine-tuning and can directly compress numerous deep models to achieve lossless results. Our methods demonstrate robust efficacy across various vision and language tasks. For example, the compressed model reduced by 70\% on ResNext50 outperforms the original. Our code will be made public.
Authors: Mulugeta Weldezgina Asres, Christian Walter Omlin, The CMS-HCAL Collaboration
Abstract: Extracting anomaly causality facilitates diagnostics once monitoring systems detect system faults. Identifying anomaly causes in large systems involves investigating a broader set of monitoring variables across multiple subsystems. However, learning graphical causal models (GCMs) comes with a significant computational burden that restrains the applicability of most existing methods in real-time and large-scale deployments. In addition, modern monitoring applications for large systems often generate large amounts of binary alarm flags, and the distinct characteristics of binary anomaly data -- the meaning of state transition and data sparsity -- challenge existing causality learning mechanisms. This study proposes an anomaly causal discovery approach (AnomalyCD), addressing the accuracy and computational challenges of generating GCMs from temporal binary flag datasets. The AnomalyCD presents several strategies, such as anomaly data-aware causality testing, sparse data and prior link compression, and edge pruning adjustment approaches. We validate the performance of the approach on two datasets: monitoring sensor data from the readout-box system of the Compact Muon Solenoid experiment at CERN, and a public dataset from an information technology monitoring system. The results on temporal GCMs demonstrate a considerable reduction of computation overhead and a moderate enhancement of accuracy on the binary anomaly datasets Source code: https://github.com/muleina/AnomalyCD .
Authors: Sofiane Bouaziz, Adel Hafiane, Raphael Canals, Rachid Nedjai
Abstract: Land Surface Temperature (LST) plays a key role in climate monitoring, urban heat assessment, and land-atmosphere interactions. However, current thermal infrared satellite sensors cannot simultaneously achieve high spatial and temporal resolution. Spatio-temporal fusion (STF) techniques address this limitation by combining complementary satellite data, one with high spatial but low temporal resolution, and another with high temporal but low spatial resolution. Existing STF techniques, from classical models to modern deep learning (DL) architectures, were primarily developed for surface reflectance (SR). Their application to thermal data remains limited and often overlooks LST-specific spatial and temporal variability. This study provides a focused review of DL-based STF methods for LST. We present a formal mathematical definition of the thermal fusion task, propose a refined taxonomy of relevant DL methods, and analyze the modifications required when adapting SR-oriented models to LST. To support reproducibility and benchmarking, we introduce a new dataset comprising 51 Terra MODIS-Landsat LST pairs from 2013 to 2024, and evaluate representative models to explore their behavior on thermal data. The analysis highlights performance gaps, architecture sensitivities, and open research challenges. The dataset and accompanying resources are publicly available at https://github.com/Sofianebouaziz1/STF-LST.
Authors: Qian Chen, Xianhao Chen, Kaibin Huang
Abstract: To bridge the digital divide, space-ground integrated networks (SGINs) are expected to deliver artificial intelligence (AI) services to every corner of the world. One key mission of SGINs is to support federated learning (FL) at a global scale. However, existing space-ground integrated FL frameworks involve ground stations or costly inter-satellite links, entailing excessive training latency and communication costs. To overcome these limitations, we propose an infrastructure-free federated learning framework based on a model dispersal (FedMeld) strategy, which exploits periodic movement patterns and store-carry-forward capabilities of satellites to enable parameter mixing across large-scale geographical regions. We theoretically show that FedMeld leads to global model convergence and quantify the effects of round interval and mixing ratio between adjacent areas on its learning performance. Based on the theoretical results, we formulate a joint optimization problem to design the staleness control and mixing ratio (SC-MR) for minimizing the training loss. By decomposing the problem into sequential SC and MR subproblems without compromising the optimality, we derive the round interval solution in a closed form and the mixing ratio in a semi-closed form to achieve the optimal latency-accuracy tradeoff. Experiments using various datasets demonstrate that FedMeld achieves superior model accuracy while significantly reducing communication costs as compared with traditional FL schemes for SGINs.
Authors: Boyang Zhang, Daning Cheng, Yunquan Zhang, Meiqi Tu, Fangming Liu, Jiake Tian
Abstract: The exponential growth in parameter size and computational complexity of deep models poses significant challenges for efficient deployment. The core problem of existing compression methods is that different layers of the model have significant differences in their tolerance to compression levels. For instance, the first layer of a model can typically sustain a higher compression level compared to the last layer without compromising performance. Thus, the key challenge lies in how to allocate compression levels across layers in a way that minimizes performance loss while maximizing parameter reduction. To address this challenge, we propose a Compression Error Theory (CET) framework, designed to determine the optimal compression level for each layer. Taking quantization as an example, CET leverages differential expansion and algebraic geometry to reconstruct the quadratic form of quantization error as ellipsoids and hyperbolic paraboloids, and utilizes their geometric structures to define an error subspace. To identify the error subspace with minimal performance loss, by performing orthogonal decomposition of the geometric space, CET transforms the optimization process of the error subspace into a complementary problem. The final theoretical analysis shows that constructing the quantization subspace along the major axis results in minimal performance degradation. Through experimental verification of the theory, CET can greatly retain performance while compressing. Specifically, on the ResNet-34 model, CET achieves nearly 11$\times$ parameter compression while even surpassing performance comparable to the original model.
Authors: Abhishek Ghosh, Ajay Nayak, Ashish Panwar, Arkaprava Basu
Abstract: Machine learning (ML) workloads launch hundreds to thousands of short-running GPU kernels per iteration. With GPU compute throughput growing rapidly, CPU-side launch latency of kernels is emerging as a bottleneck. CUDA Graphs promise to address this by replaying a set of kernels with a single dispatch of the graph, removing per-kernel launch costs. However, CUDA Graphs remain surprisingly difficult to deploy correctly and efficiently. We present PyGraph - a compiler framework to maximize the coverage and benefits of CUDA Graphs for ML workloads. It introduces three novel optimizations: it applies automatic code transformations to make ML applications amenable to CUDA Graphs; it eliminates the parameter copy overheads for kernels executing in CUDA Graphs, and it selectively deploys CUDA Graphs guided by a cost-benefit analysis. For 25 ML workloads from TorchBench, HuggingFace, and TIMM, PyGraph more than doubles the benefit from deploying CUDA Graph compared to the most popular and widely used ML compiler, PyTorch2. PyGraph is built atop PyTorch2's compilation framework and requires no programmer intervention.
Authors: Minsu Kim, Seong-Hyeon Hwang, Steven Euijong Whang
Abstract: In the context of continual learning, acquiring new knowledge while maintaining previous knowledge presents a significant challenge. Existing methods often use experience replay techniques that store a small portion of previous task data for training. In experience replay approaches, data augmentation has emerged as a promising strategy to further improve the model performance by mixing limited previous task data with sufficient current task data. However, we theoretically and empirically analyze that training with mixed samples from random sample pairs may harm the knowledge of previous tasks and cause greater catastrophic forgetting. We then propose GradMix, a robust data augmentation method specifically designed for mitigating catastrophic forgetting in class-incremental learning. GradMix performs gradient-based selective mixup using a class-based criterion that mixes only samples from helpful class pairs and not from detrimental class pairs for reducing catastrophic forgetting. Our experiments on various real datasets show that GradMix outperforms data augmentation baselines in accuracy by minimizing the forgetting of previous knowledge.
Authors: Konstantinos Fotopoulos, Petros Maragos
Abstract: We investigate deep morphological neural networks (DMNNs). We demonstrate that despite their inherent non-linearity, "linear" activations are essential for DMNNs. To preserve their inherent sparsity, we propose architectures that constraint the parameters of the "linear" activations: For the first (resp. second) architecture, we work under the constraint that the majority of parameters (resp. learnable parameters) should be part of morphological operations. We improve the generalization ability of our networks via residual connections and weight dropout. Our proposed networks can be successfully trained, and are more prunable than linear networks. To the best of our knowledge, we are the first to successfully train DMNNs under such constraints. Finally, we propose a hybrid network architecture combining linear and morphological layers, showing empirically that the inclusion of morphological layers significantly accelerates the convergence of gradient descent with large batches.
Authors: Longlong Li, Mengyang Zhao, Guanghui Wang, Cunquan Qu
Abstract: Most Graph Neural Networks (GNNs) propagate messages by treating node embeddings as holistic feature vectors, implicitly assuming uniform relevance across feature dimensions. This limits their ability to selectively transmit informative components, especially when graph structures exhibit distinct frequency characteristics. We propose MSH-GNN (Multi-Scale Harmonic Graph Neural Network), a frequency-aware message passing framework that performs feature-wise adaptive propagation. Each node projects incoming messages onto node-conditioned feature subspaces derived from its own representation, enabling selective extraction of frequency-relevant components. Learnable multi-scale harmonic modulations further allow the model to capture both smooth and oscillatory structural patterns. A frequency-aware attention pooling mechanism is introduced for graph-level readout. We show that MSH-GNN admits an interpretation as a learnable Fourier-feature approximation of kernelized message functions and matches the expressive power of the 1-Weisfeiler-Lehman (1-WL) test. Extensive experiments on node- and graph-level benchmarks demonstrate consistent improvements over state-of-the-art methods, particularly in joint structure-frequency analysis tasks.
Authors: Augusto Tagle, Javier Ruiz-del-Solar, Felipe Tobar
Abstract: Offline reinforcement learning (RL) recovers the optimal policy $\pi$ given historical observations of an agent. In practice, $\pi$ is modeled as a weighted version of the agent's behavior policy $\mu$, using a weight function $w$ working as a critic of the agent's behavior. Though recent approaches to offline RL based on diffusion models have exhibited promising results, the computation of the required scores is challenging due to their dependence on the unknown $w$. In this work, we alleviate this issue by constructing a diffusion over both the actions and the weights. With the proposed setting, the required scores are directly obtained from the diffusion model without learning extra networks. Our main conceptual contribution is a novel guidance method, where guidance (which is a function of $w$) comes from the same diffusion model, therefore, our proposal is termed Self-Weighted Guidance (SWG). We show that SWG generates samples from the desired distribution on toy examples and performs on par with state-of-the-art methods on D4RL's challenging environments, while maintaining a streamlined training pipeline. We further validate SWG through ablation studies on weight formulations and scalability.
Authors: Nikita Agrawal, Simon Mertel, Ruben Mayer
Abstract: Post-training of foundation language models has emerged as a promising research domain in federated learning (FL) with the goal to enable privacy-preserving model improvements and adaptations to user's downstream tasks. Recent advances in this area adopt centralized post-training approaches that build upon black-box foundation language models where there is no access to model weights and architecture details. Although the use of black-box models has been successful in centralized post-training, their blind replication in FL raises several concerns. Our position is that using black-box models in FL contradicts the core principles of federation such as data privacy and autonomy. In this position paper, we critically analyze the usage of black-box models in federated post-training, and provide a detailed account of various aspects of openness and their implications for FL.
Authors: Philip Heejun Lee
Abstract: Deep sequence models typically degrade in accuracy when test sequences significantly exceed their training lengths, yet many critical tasks--such as algorithmic reasoning, multi-step arithmetic, and compositional generalization--require robust length extrapolation. We introduce PRISM, a Probabilistic Relative-position Implicit Superposition Model, a novel positional encoding mechanism that enables Transformers to extrapolate accurately up to 10x beyond their training length. PRISM learns continuous relative positions through a differentiable histogram-filter update, preserving position uncertainty via a probabilistic superposition rather than conventional deterministic embeddings. Empirically, PRISM achieves state-of-the-art length extrapolation, successfully generalizing to previously intractable sequence lengths across algorithmic benchmarks--including arithmetic (addition, multiplication), SCAN compositionality tasks, and complex copy variants derived from DeepMind's recent datasets. Our analysis demonstrates that PRISM's stochastic positional encoding maintains sharp and interpretable internal states, providing a theoretical basis for reliable length generalization. These results advance the goal of neural sequence models that remain algorithmically robust at lengths far exceeding their training horizon.
Authors: Yihan Xie, Sijing Li, Tianwei Lin, Zhuonan Wang, Chenglin Yang, Yu Zhong, Wenjie Yan, Wenqiao Zhang, Xiaogang Guo, Jun Xiao, Yueting Zhuang, Beng Chin Ooi
Abstract: Although electrocardiograms (ECG) play a dominant role in cardiovascular diagnosis and treatment, their intrinsic data forms and representational patterns pose significant challenges for medical multimodal large language models (Med-MLLMs) in achieving cross-modal semantic alignment. To address this gap, we propose Heartcare Suite, a unified ECG suite designed for dual signal-image modeling and understanding. (i) Heartcare-400K: We build a finegrained ECG instruction dataset on top of our data pipeline engine--HeartAgent--by integrating 12,170 high quality clinical ECG reports from top hospitals with open-source data; (ii) Heartcare-Bench: a systematic benchmark assessing performance of models in multi-perspective ECG understanding and cross-modal generalization, providing guidance for optimizing ECG comprehension models; (iii) HeartcareGPT: built upon a structure-aware discrete tokenizer Beat, we propose the DSPA (Dual Stream Projection Alignment) paradigm--a dual encoder projection alignment mechanism enabling joint optimizing and modeling native ECG signal-image within a shared feature space. Heartcare achieves consistent improvements across diverse ECG understanding tasks, validating both the effectiveness of the unified modeling paradigm and the necessity of a high-quality data pipeline, and establishing a methodological foundation for extending Med-MLLMs toward physiological signal domains. Our project is available at https://github.com/DCDmllm/Heartcare-Suite .
Authors: William Anderson, Seung Whan Chung, Robert Stephany, Youngsoo Choi
Abstract: Accurately solving partial differential equations (PDEs) is essential across many scientific disciplines. However, high-fidelity solvers can be computationally prohibitive, motivating the development of reduced-order models (ROMs). Recently, Latent Space Dynamics Identification (LaSDI) was proposed as a data-driven, non-intrusive ROM framework. LaSDI compresses the training data via an autoencoder and learns user-specified ordinary differential equations (ODEs), governing the latent dynamics, enabling rapid predictions for unseen parameters. While LaSDI has produced effective ROMs for numerous problems, the autoencoder must simultaneously reconstruct the training data and satisfy the imposed latent dynamics, which are often competing objectives that limit accuracy, particularly for complex or high-frequency phenomena. To address this limitation, we propose multi-stage Latent Space Dynamics Identification (mLaSDI). With mLaSDI, we train LaSDI sequentially in stages. After training the initial autoencoder, we train additional decoders which map the latent trajectories to residuals from previous stages. This staged residual learning, combined with periodic activation functions, enables recovery of high-frequency content without sacrificing interpretability of the latent dynamics. Numerical experiments on a multiscale oscillating system, unsteady wake flow, and the 1D-1V Vlasov equation demonstrate that mLaSDI achieves significantly lower reconstruction and prediction errors, often by an order of magnitude, while requiring less training time and reduced hyperparameter tuning compared to standard LaSDI.
Authors: Danyang Zhang, Junhao Song, Ziqian Bi, Xinyuan Song, Yingfang Yuan, Tianyang Wang, Joe Yeong, Junfeng Hao
Abstract: This paper presents a comprehensive review of the Mixture-of-Experts (MoE) architecture in large language models, highlighting its ability to significantly enhance model performance while maintaining minimal computational overhead. Through a systematic analysis spanning theoretical foundations, core architectural designs, and large language model (LLM) applications, we examine expert gating and routing mechanisms, hierarchical and sparse MoE configurations, meta-learning approaches, multimodal and multitask learning scenarios, real-world deployment cases, and recent advances and challenges in deep learning. Our analysis identifies key advantages of MoE, including superior model capacity compared to equivalent Bayesian approaches, improved task-specific performance, and the ability to scale model capacity efficiently. We also underscore the importance of ensuring expert diversity, accurate calibration, and reliable inference aggregation, as these are essential for maximizing the effectiveness of MoE architectures. Finally, this review outlines current research limitations, open challenges, and promising future directions, providing a foundation for continued innovation in MoE architecture and its applications.
Authors: Shusen Ma, Yun-Bo Zhao, Yu Kang
Abstract: Multivariate time series forecasting has drawn increasing attention due to its practical importance. Existing approaches typically adopt either channel-mixing (CM) or channel-independence (CI) strategies. CM strategy can capture inter-variable dependencies but fails to discern variable-specific temporal patterns. CI strategy improves this aspect but fails to fully exploit cross-variable dependencies like CM. Hybrid strategies based on feature fusion offer limited generalization and interpretability. To address these issues, we propose C3RL, a novel representation learning framework that jointly models both CM and CI strategies. Motivated by contrastive learning in computer vision, C3RL treats the inputs of the two strategies as transposed views and builds a siamese network architecture: one strategy serves as the backbone, while the other complements it. By jointly optimizing contrastive and prediction losses with adaptive weighting, C3RL balances representation and forecasting performance. Extensive experiments on seven models show that C3RL boosts the best-case performance rate to 81.4% for models based on CI strategy and to 76.3% for models based on CM strategy, demonstrating strong generalization and effectiveness.
Authors: Henri Arno, Thomas Demeester
Abstract: We study how to learn effective treatment policies from multimodal electronic health records (EHRs) that consist of tabular data and clinical text. These policies can help physicians make better treatment decisions and allocate healthcare resources more efficiently. Causal policy learning methods prioritize patients with the largest expected treatment benefit. Yet, existing estimators assume tabular covariates that satisfy strong causal assumptions, which are typically violated in the multimodal setting. As a result, predictive models of baseline risk are commonly used in practice to guide such decisions, as they extend naturally to multimodal data. However, such risk-based policies are not designed to identify which patients benefit most from treatment. We propose an extension of causal policy learning that uses expert-provided annotations during training to supervise treatment effect estimation, while using only multimodal representations as input during inference. We show that the proposed method achieves strong empirical performance across synthetic, semi-synthetic, and real-world EHR datasets, thereby offering practical insights into applying causal machine learning to realistic clinical data.
Authors: Xurun Wang, Guangrui Liu, Xinjie Li, Haoyu He, Lin Yao, Zhongyun Hua, Weizhe Zhang
Abstract: Machine learning models are vulnerable to membership inference attack, which can be used to determine whether a given sample appears in the training data. Most existing methods assume the attacker has full access to the features of the target sample. This assumption, however, does not hold in many real-world scenarios where only partial features are available, thereby limiting the applicability of these methods. In this work, we introduce Partial Feature Membership Inference (PFMI), a scenario where the adversary observes only partial features of each sample and aims to infer whether this observed subset was present in the training set. To address this problem, we propose MRAD (Memory-guided Reconstruction and Anomaly Detection), a two-stage attack framework that works in both white-box and black-box settings. In the first stage, MRAD leverages the latent memory of the target model to reconstruct the unknown features of the sample. We observe that when the known features are absent from the training set, the reconstructed sample deviates significantly from the true data distribution. Consequently, in the second stage, we use anomaly detection algorithms to measure the deviation between the reconstructed sample and the training data distribution, thereby determining whether the known features belong to a member of the training set. Empirical results demonstrate that MRAD is effective across various datasets, and maintains compatibility with off-the-shelf anomaly detection techniques. For example, on STL-10, our attack exceeds an AUC of around 0.75 even with 60% of the missing features.
Authors: Kichang Lee, Songkuk Kim, JaeYeon Park, JeongGil Ko
Abstract: On-device machine learning is often constrained by limited storage, particularly in continuous data collection scenarios. This paper presents an empirical study on storage-aware learning, focusing on the trade-off between data quantity and quality via compression. We demonstrate that naive strategies, such as uniform data dropping or one-size-fits-all compression, are suboptimal. Our findings further reveal that data samples exhibit varying sensitivities to compression, supporting the feasibility of a sample-wise adaptive compression strategy. These insights provide a foundation for developing a new class of storage-aware learning systems. The primary contribution of this work is the systematic characterization of this under-explored challenge, offering valuable insights that advance the understanding of storage-aware learning.
Authors: Fatema Siddika, Md Anwar Hossen, J. Pablo Mu\~noz, Tanya Roosta, Anuj Sharma, Ali Jannesari
Abstract: Parameter-efficient fine-tuning (PEFT) adapts large pre-trained models by updating only a small subset of parameters. Recently, Representation Fine-Tuning (ReFT) has emerged as an effective alternative. ReFT shifts the fine-tuning paradigm from updating model weights to directly manipulating hidden representations that capture rich semantic information, and outperforms state-of-the-art PEFTs in standalone settings. However, its application in Federated Learning (FL) remains challenging due to heterogeneity in clients' data distributions, model capacities, and computational resources. To address these challenges, we introduce Federated Representation Fine-Tuning (FedReFT), a novel approach to fine-tune clients' hidden representations. FedReFT applies sparse intervention layers to steer hidden representations directly, offering a lightweight and semantically rich fine-tuning alternative ideal for edge devices. However, representation-level updates are especially vulnerable to aggregation mismatch under different task heterogeneity, where naive averaging can corrupt semantic alignment. To mitigate this issue, we propose All-But-Me (ABM) aggregation, where each client receives the aggregated updates of others and partially incorporates them, enabling stable and personalized learning by balancing local focus with global knowledge. We further design an adaptive update strategy inspired by Test-Time Computing (TTC) to balance local and global contributions under heterogeneous conditions. FedReFT achieves state-of-the-art performance on commonsense reasoning, arithmetic reasoning, and GLUE benchmarks, while delivering 1-49 times higher parameter efficiency compared to leading LoRA-based methods.
Authors: Georgia Channing, Avijit Ghosh
Abstract: Artificial intelligence (AI) is increasingly applied to scientific research, but its benefits remain unevenly distributed across communities and disciplines. While technical challenges such as limited data, fragmented standards, and unequal access to computational resources exist, social and institutional factors are often the primary constraints. Narratives emphasizing autonomous "AI scientists," under-recognition of data and infrastructure work, misaligned incentives, and gaps between domain experts and machine learning researchers all limit the impact of AI on scientific discovery. This paper highlights four interconnected challenges: community coordination, misalignment of research priorities with upstream needs, data fragmentation, and infrastructure inequities. We argue that addressing these challenges requires not only technical innovation but also intentional efforts in community-building, cross-disciplinary education, shared benchmarks, and accessible infrastructure. We call for reframing AI for science as a collective social project, where sustainable collaboration and equitable participation are treated as prerequisites for technical progress
Authors: Anand Gopalakrishnan, Robert Csord\'as, J\"urgen Schmidhuber, Michael C. Mozer
Abstract: The attention mechanism in a Transformer architecture matches key to query based on both content -- the what -- and position in a sequence -- the where. We present an analysis indicating that what and where are entangled in the popular RoPE rotary position embedding. This entanglement can impair performance particularly when decisions require independent matches on these two factors. We propose an improvement to RoPE, which we call Polar Coordinate Position Embeddings or PoPE, that eliminates the what-where confound. PoPE is far superior on a diagnostic task requiring indexing solely by position or by content. On autoregressive sequence modeling in music, genomic, and natural language domains, Transformers using PoPE as the positional encoding scheme outperform baselines using RoPE with respect to evaluation loss (perplexity) and downstream task performance. On language modeling, these gains persist across model scale, from 124M to 774M parameters. Crucially, PoPE shows strong zero-shot length extrapolation capabilities compared not only to RoPE but even a method designed for extrapolation, YaRN, which requires additional fine tuning and frequency interpolation.
Authors: Dongseok Kim, Hyoungsun Choi, Mohamed Jismy Aashik Rasool, Gisung Oh
Abstract: We introduce ORACLE, a framework for explaining neural networks on tabular data and scientific factorial designs. ORACLE summarizes a trained network's prediction surface with main effects and pairwise interactions by treating the network as a black-box response, discretizing the inputs onto a grid, and fitting an orthogonal factorial (ANOVA-style) surrogate -- the $L^2$ orthogonal projection of the model response onto a finite-dimensional factorial subspace. A simple centering and $\mu$-rebalancing step then expresses this surrogate as main- and interaction-effect tables that remain faithful to the original model in the $L^2$ sense. The resulting grid-based interaction maps are easy to visualize, comparable across backbones, and directly aligned with classical design-of-experiments practice. On synthetic factorial benchmarks and low- to medium-dimensional tabular regression tasks, ORACLE more accurately recovers ground-truth interaction structure and hotspots than Monte Carlo SHAP-family interaction methods, as measured by ranking, localization, and cross-backbone stability. In latent image and text settings, ORACLE clarifies its scope: grid-based factorial surrogates are most effective when features admit an interpretable factorial structure, making ORACLE particularly well-suited to scientific and engineering workflows that require stable, DoE-style interaction summaries.
Authors: Andrew Kyle Lampinen, Martin Engelcke, Yuxuan Li, Arslan Chaudhry, James L. McClelland
Abstract: When do machine learning systems fail to generalize, and what mechanisms could improve their generalization? Here, we draw inspiration from cognitive science to argue that one weakness of parametric machine learning systems is their failure to exhibit latent learning -- learning information that is not relevant to the task at hand, but that might be useful in a future task. We show how this perspective links failures ranging from the reversal curse in language modeling to new findings on agent-based navigation. We then highlight how cognitive science points to episodic memory as a potential part of the solution to these issues. Correspondingly, we show that a system with an oracle retrieval mechanism can use learning experiences more flexibly to generalize better across many of these challenges. We also identify some of the essential components for effectively using retrieval, including the importance of within-example in-context learning for acquiring the ability to use information across retrieved examples. In summary, our results illustrate one possible contributor to the relative data inefficiency of current machine learning systems compared to natural intelligence, and help to understand how retrieval methods can complement parametric learning to improve generalization. We close by discussing some of the links between these findings and prior results in cognitive science and neuroscience, and the broader implications.
Authors: Maria Lomeli, Matthijs Douze, Gergely Szilvasy, Loic Cabannes, Jade Copet, Sainbayar Sukhbaatar, Jason Weston, Gabriel Synnaeve, Pierre-Emmanuel Mazar\'e, Herv\'e J\'egou
Abstract: We introduce stochastic activations. This novel strategy randomly selects between several non-linear functions in the feed-forward layer of a large language model. In particular, we choose between SILU or RELU depending on a Bernoulli draw. This strategy circumvents the optimization problem associated with RELU, namely, the constant shape for negative inputs that prevents the gradient flow. We leverage this strategy in two ways: (1) We use stochastic activations during pre-training and fine-tune the model with RELU, which is used at inference time to provide sparse latent vectors. This reduces the inference FLOPs and translates into a significant speedup in the CPU. Interestingly, this leads to much better results than training from scratch with the RELU activation function. (2) We evaluate stochastic activations for generation. This strategy performs reasonably well: it is only slightly inferior to the best deterministic non-linearity, namely SILU combined with temperature scaling. This offers an alternative to existing strategies by providing a controlled way to increase the diversity of the generated text.
Authors: Haotian Liu, Shuo Wang, Hongteng Xu
Abstract: Reinforcement Learning (RL) methods, exemplified by Group Relative Policy Optimization (GRPO) and its variants, play a central role in developing reasoning models. However, these methods often suffer from a critical overconfidence issue, which prevents them from achieving self-aware reasoning models. In this study, we propose a simple yet effective confidence-calibration group sequence policy gradient method, called C$^2$GSPG, which simultaneously enhances reasoning performance while suppressing overconfidence. In principle, we propose a Group Sequence Policy Gradient (GSPG) framework for learning reasoning models, which eliminates the token-level bias commonly appearing in GRPO and its variants. In this framework, we define the model confidence for each reasoning problem using the normalized sequence-level probability, and then apply a cross-entropy regularizer to calibrate the model confidence to the sequence's reward. We demonstrate that the confidence calibration regularizer and GSPG are collaborative for binary rewards, as their objectives always share the same gradient direction. For non-binary rewards, we apply nonlinear reward normalization and adaptive regularizer clipping, mitigating the potential conflict between the two objectives. Applying C$^2$GSPG to post-train large language models in logical and mathematical reasoning tasks, we show its superiority over state-of-the-art methods in both reasoning accuracy and confidence calibration. The code of C$^2$GSPG is available at https://github.com/HaotianLiu123/CCGSPG.
Authors: Younes Hourri, Mohammad Mozaffari, Maryam Mehri Dehnavi
Abstract: Large language models (LLMs) deliver impressive performance but incur prohibitive memory and compute costs at deployment. Model pruning is an effective way to reduce these overheads, yet existing approaches face challenges: unstructured sparsity, where nonzeros can appear anywhere, preserves accuracy but yields irregular access patterns that prevent GPU acceleration, while semi-structured 2:4 sparsity is hardware-friendly but enforces a rigid 50% pattern that degrades model quality. To bridge this gap, we introduce PATCH, a hybrid sparsity framework that enables a continuous sparsity ratio between 0% and 50%. PATCH partitions weight matrices into tiles, assigning each tile to be either dense or 2:4 sparse via a learnable mask selection mechanism. This design provides fine-grained control over accuracy-acceleration tradeoffs and supports non-uniform sparsity across layers, leading to superior overall quality. Across models from 0.5B to 8B parameters, PATCH consistently narrows the gap to dense accuracy while delivering practical speedups. For instance, on LLaMA-2 7B with an A6000 GPU, PATCH achieves 1.18x-1.38x end-to-end speedup over dense baselines while improving accuracy by 0.37%-2.96% compared to the state-of-the-art 2:4 pruning method, MaskLLM.
Authors: Yichi Zhang, Fangzheng Xie, Shu Yang, Chong Wu
Abstract: In language tasks that require extensive human--model interaction, deploying a single "best" model for every query can be expensive. To reduce inference cost while preserving the quality of the responses, a large language model (LLM) router selects the most appropriate model from a pool of candidates for each query. A central challenge to training a high-quality router is the scarcity of reliable supervision. Gold-standard data (e.g., expert-verified labels or rubric-based scores) provide accurate quality evaluations of LLM responses but are costly and difficult to scale. In contrast, preference-based data, collected via crowdsourcing or LLM-as-a-judge systems, are cheaper and more scalable, yet often biased in reflecting the true quality of responses. We cast the problem of LLM router training with combined gold-standard and preference-based data into a causal inference framework by viewing the response evaluation mechanism as the treatment assignment. This perspective further reveals that the bias in preference-based data corresponds to the well-known causal estimand: the conditional average treatment effect. Based on this new perspective, we develop an integrative causal router training framework that corrects preference-data bias, address imbalances between two data sources, and improve routing robustness and efficiency. Numerical experiments demonstrate that our approach delivers more accurate routing and improves the trade-off between cost and quality.
Authors: Haocheng Sun, Cynthia Xin Wen, Edward Hong Wang
Abstract: The main advantages of diffusion language models over autoregressive (AR) models lie in their ability to support parallel generation and bidirectional attention, enabling a more controllable generation process. In recent years, open-source mask diffusion language models have emerged, most of which are based on a variant known as absorbing diffusion. However, this paper demonstrates why mask diffusion faces inherent difficulties in achieving parallel generation and bidirectional attention. We also propose the most effective training and inference strategies for mask diffusion.
Authors: Jerry Yao-Chieh Hu, Xiwen Zhang, Ali ElSheikh, Weimin Wu, Han Liu
Abstract: Structured State-Space Duality (SSD) [Dao & Gu, ICML 2024] is an equivalence between a simple Structured State-Space Model (SSM) and a masked attention mechanism. In particular, a state-space model with a scalar-times-identity state matrix is equivalent to a masked self-attention with a $1$-semiseparable causal mask. Consequently, the same sequence transformation (model) has two algorithmic realizations: as a linear-time $O(T)$ recurrence or as a quadratic-time $O(T^2)$ attention. In this note, we formalize and generalize this duality: (i) we extend SSD from the scalar-identity case to general diagonal SSMs (diagonal state matrices); (ii) we show that these diagonal SSMs match the scalar case's training complexity lower bounds while supporting richer dynamics; (iii) we establish a necessary and sufficient condition under which an SSM is equivalent to $1$-semiseparable masked attention; and (iv) we show that such duality fails to extend to standard softmax attention due to rank explosion. Together, these results tighten bridge between recurrent SSMs and Transformers, and widen the design space for expressive yet efficient sequence models.
Authors: Tenghui Li, Guoxu Zhou, Xuyang Zhao, Yuning Qiu, Qibin Zhao
Abstract: As the length of input text increases, the key-value (KV) cache in LLMs imposes prohibitive GPU memory costs and limits long-context inference on resource constrained devices. Existing approaches, such as KV quantization and pruning, reduce memory usage but suffer from numerical precision loss or suboptimal retention of key-value pairs. In this work, Low Rank Query and Key attention (LRQK) is introduced, a two-stage framework that jointly decomposes full-precision query and key matrices into compact rank-\(r\) factors during the prefill stage, and then employs these low-dimensional projections to compute proxy attention scores in \(\mathcal{O}(lr)\) time at each decode step. By selecting only the top-\(k\) tokens and a small fixed set of recent tokens, LRQK employs a mixed GPU-CPU cache with a hit-and-miss mechanism where only missing full-precision KV pairs are transferred, thereby preserving exact attention outputs while reducing CPU-GPU data movement. Extensive experiments on the RULER and LongBench benchmarks with LLaMA-3-8B and Qwen2.5-7B demonstrate that LRQK matches or surpasses leading sparse-attention methods in long context settings, while delivering significant memory savings with minimal accuracy loss. Our code is available at https://github.com/tenghuilee/LRQK.
Authors: Yuchen Huang, Sijia Li, Minghao Liu, Wei Liu, Shijue Huang, Zhiyuan Fan, Hou Pong Chan, Yi R. Fung
Abstract: LLM-based agents can autonomously accomplish complex tasks across various domains. However, to further cultivate capabilities such as adaptive behavior and long-term decision-making, training on static datasets built from human-level knowledge is insufficient. These datasets are costly to construct and lack both dynamism and realism. A growing consensus is that agents should instead interact directly with environments and learn from experience through reinforcement learning. We formalize this iterative process as the Generation-Execution-Feedback (GEF) loop, where environments generate tasks to challenge agents, return observations in response to agents' actions during task execution, and provide evaluative feedback on rollouts for subsequent learning. Under this paradigm, environments function as indispensable producers of experiential data, highlighting the need to scale them toward greater complexity, realism, and interactivity. In this survey, we systematically review representative methods for environment scaling from a pioneering environment-centric perspective and organize them along the stages of the GEF loop, namely task generation, task execution, and feedback. We further analyze implementation frameworks, challenges, and applications, consolidating fragmented advances and outlining future research directions for agent intelligence.
Authors: Adrian Goldwaser, Michael Munn, Javier Gonzalvo, Benoit Dherin
Abstract: Recent research has established that the impact of context in a vanilla transformer can be represented implicitly by forming a token-dependent, rank-1 patch to its MLP weights. This work extends that foundational theory to the diverse architectures of modern Large Language Models. We first demonstrate a precise, analytical solution for a Gemma-style transformer block, proving that the entire effect of a context can be perfectly mapped to rank-1 patches on its MLP weight matrices and a patch to the RMSNorm scale. We then generalize this result, providing a constructive proof and algorithm for multi-layer models. To unify these findings, we introduce a general framework centered on two core properties: input controllability and output controllability. We prove that a perfect implicit weight patch is possible for any MLP block where the inner function is input-controllable and the outer function is output-controllable. This provides a simpler and more powerful lens for understanding how transformer models transmute prompts into effective weights. This setup generalizes to a wide range of modern LLM architectures including gating, pre-/post-norm, mixture of experts and sequential/parallel transformer blocks.
Authors: Yifan He, Haodong Zhang, Qiuheng Song, Lin Lei, Zhenxuan Zeng, Haoyang He, Hongyan Wu
Abstract: Distributed Fiber Optic Sensing (DFOS) is promising for long-range perimeter security, yet practical deployment faces three key obstacles: severe cross-deployment domain shift, scarce or unavailable labels at new sites, and limited within-class coverage even in source deployments. We propose DUPLE, a prototype-based meta-learning framework tailored for cross-deployment DFOS recognition. The core idea is to jointly exploit complementary time- and frequency-domain cues and adapt class representations to sample-specific statistics: (i) a dual-domain learner constructs multi-prototype class representations to cover intra-class heterogeneity; (ii) a lightweight statistical guidance mechanism estimates the reliability of each domain from raw signal statistics; and (iii) a query-adaptive aggregation strategy selects and combines the most relevant prototypes for each query. Extensive experiments on two real-world cross-deployment benchmarks demonstrate consistent improvements over strong deep learning and meta-learning baselines, achieving more accurate and stable recognition under label-scarce target deployments.
Authors: Yoshihiro Maruyama
Abstract: We develop a theory of category-equivariant neural networks (CENNs) that unifies group/groupoid-equivariant networks, poset/lattice-equivariant networks, graph and sheaf neural networks. Equivariance is formulated as naturality in a topological category with Radon measures. Formulating linear and nonlinear layers in the categorical setup, we prove the equivariant universal approximation theorem in the general setting: the class of finite-depth CENNs is dense in the space of continuous equivariant transformations. We instantiate the framework for groups/groupoids, posets/lattices, graphs and cellular sheaves, deriving universal approximation theorems for them in a systematic manner. Categorical equivariant deep learning thus allows us to expand the horizons of equivariant deep learning beyond group actions, encompassing not only geometric symmetries but also contextual and compositional symmetries.
Authors: Rohin Manvi, Joey Hong, Tim Seyde, Maxime Labonne, Mathias Lechner, Sergey Levine
Abstract: Large language models excel at reasoning but lack key aspects of introspection, including anticipating their own success and the computation required to achieve it. Humans use real-time introspection to decide how much effort to invest, when to make multiple attempts, when to stop, and when to signal success or failure. Without this, LLMs struggle to make intelligent meta-cognition decisions. Test-time scaling methods like Best-of-N drive up cost and latency by using a fixed budget of samples regardless of the marginal benefit of each one at any point in generation, and the absence of confidence signals can mislead people, prevent appropriate escalation to better tools, and undermine trustworthiness. Learned verifiers or reward models can provide confidence estimates, but do not enable adaptive inference and add substantial cost by requiring extra models or forward passes. We present ZIP-RC, which equips models with zero-overhead introspective predictions of reward and cost. At every token, ZIP-RC reuses reserved or unused logits in the same forward pass as next-token prediction to output a joint distribution over final reward and remaining length -- no extra models, architecture change, or inference overhead. This full joint distribution is used to compute a sampling utility which is the linear combination of the expected maximum reward, total compute, and latency of set of samples if generated to completion. During inference, we maximize this utility with meta-actions that determine which prefix of tokens to continue or initiate sampling from. On mixed-difficulty mathematical benchmarks, ZIP-RC improves accuracy by up to 12% over majority voting at equal or lower average cost, and traces smooth Pareto frontiers between quality, compute, and latency. By providing real-time reward-cost introspection, ZIP-RC enables adaptive, efficient reasoning.
Authors: Ali Nafisi, Sina Asghari, Mohammad Saeed Arvenaghi, Hossein Shakibania
Abstract: This report presents solutions to three machine learning challenges developed as part of the Rayan AI Contest: compositional image retrieval, zero-shot anomaly detection, and backdoored model detection. In compositional image retrieval, we developed a system that processes visual and textual inputs to retrieve relevant images, achieving 95.38% accuracy and ranking first with a clear margin over the second team. For zero-shot anomaly detection, we designed a model that identifies and localizes anomalies in images without prior exposure to abnormal examples, securing second place with a 73.14% score. In the backdoored model detection task, we proposed a method to detect hidden backdoor triggers in neural networks, reaching an accuracy of 78%, which placed our approach in second place. These results demonstrate the effectiveness of our methods in addressing key challenges related to retrieval, anomaly detection, and model security, with implications for real-world applications in industries such as healthcare, manufacturing, and cybersecurity. Code for all solutions is available online (https://github.com/safinal/rayan-ai-contest-solutions).
URLs: https://github.com/safinal/rayan-ai-contest-solutions).
Authors: Zhiyu Liu, Zhi Han, Yandong Tang, Jun Fan, Yao Wang
Abstract: The problem of low-tubal-rank tensor estimation is a fundamental task with wide applications across high-dimensional signal processing, machine learning, and image science. Traditional approaches tackle such a problem by performing tensor singular value decomposition, which is computationally expensive and becomes infeasible for large-scale tensors. Recent approaches address this issue by factorizing the tensor into two smaller factor tensors and solving the resulting problem using gradient descent. However, this kind of approach requires an accurate estimate of the tensor rank, and when the rank is overestimated, the convergence of gradient descent and its variants slows down significantly or even diverges. To address this problem, we propose an Alternating Preconditioned Gradient Descent (APGD) algorithm, which accelerates convergence in the over-parameterized setting by adding a preconditioning term to the original gradient and updating these two factors alternately. Based on certain geometric assumptions on the objective function, we establish linear convergence guarantees for more general low-tubal-rank tensor estimation problems. Then we further analyze the specific cases of low-tubal-rank tensor factorization and low-tubal-rank tensor recovery. Our theoretical results show that APGD achieves linear convergence even under over-parameterization, and the convergence rate is independent of the tensor condition number. Extensive simulations on synthetic data are carried out to validate our theoretical assertions.
Authors: Manas Joglekar, Jeremy Chen, Gabriel Wu, Jason Yosinski, Jasmine Wang, Boaz Barak, Amelia Glaese
Abstract: Large language models (LLMs) can be dishonest when reporting on their actions and beliefs -- for example, they may overstate their confidence in factual claims or cover up evidence of covert actions. Such dishonesty may arise due to the effects of reinforcement learning (RL), where challenges with reward shaping can result in a training process that inadvertently incentivizes the model to lie or misrepresent its actions. In this work we propose a method for eliciting an honest expression of an LLM's shortcomings via a self-reported *confession*. A confession is an output, provided upon request after a model's original answer, that is meant to serve as a full account of the model's compliance with the letter and spirit of its policies and instructions. The reward assigned to a confession during training is solely based on its honesty, and does not impact positively or negatively the main answer's reward. As long as the "path of least resistance" for maximizing confession reward is to surface misbehavior rather than covering it up, this incentivizes models to be honest in their confessions. Our findings provide some justification this empirical assumption, especially in the case of egregious model misbehavior. To demonstrate the viability of our approach, we train GPT-5-Thinking to produce confessions, and we evaluate its honesty in out-of-distribution scenarios measuring hallucination, instruction following, scheming, and reward hacking. We find that when the model lies or omits shortcomings in its "main" answer, it often confesses to these behaviors honestly, and this confession honesty modestly improves with training. Confessions can enable a number of inference-time interventions including monitoring, rejection sampling, and surfacing issues to the user.
Authors: Lex Weaver, Jonathan Baxter
Abstract: TD($\lambda$) with function approximation has proved empirically successful for some complex reinforcement learning problems. For linear approximation, TD($\lambda$) has been shown to minimise the squared error between the approximate value of each state and the true value. However, as far as policy is concerned, it is error in the relative ordering of states that is critical, rather than error in the state values. We illustrate this point, both in simple two-state and three-state systems in which TD($\lambda$)--starting from an optimal policy--converges to a sub-optimal policy, and also in backgammon. We then present a modified form of TD($\lambda$), called STD($\lambda$), in which function approximators are trained with respect to relative state values on binary decision problems. A theoretical analysis, including a proof of monotonic policy improvement for STD($\lambda$) in the context of the two-state system, is presented, along with a comparison with Bertsekas' differential training method [1]. This is followed by successful demonstrations of STD($\lambda$) on the two-state system and a variation on the well known acrobot problem.
Authors: Jun Seo, Hyeokjun Choe, Seohui Bae, Soyeon Park, Wonbin Ahn, Taeyoon Lim, Junhyeok Kang, Sangjun Han, Jaehoon Lee, Dongwan Kang, Minjae Kim, Sungdong Yoo, Soonyoung Lee
Abstract: Time series forecasting is a critical task for artificial intelligence with numerous real-world applications. Traditional approaches primarily rely on historical time series data to predict the future values. However, in practical scenarios, this is often insufficient for accurate predictions due to the limited information available. To address this challenge, multimodal time series forecasting methods which incorporate additional data modalities, mainly text data, alongside time series data have been explored. In this work, we introduce the Adaptive Information Routing (AIR) framework, a novel approach for multimodal time series forecasting. Unlike existing methods that treat text data on par with time series data as interchangeable auxiliary features for forecasting, AIR leverages text information to dynamically guide the time series model by controlling how and to what extent multivariate time series information should be combined. We also present a text-refinement pipeline that employs a large language model to convert raw text data into a form suitable for multimodal forecasting, and we introduce a benchmark that facilitates multimodal forecasting experiments based on this pipeline. Experiment results with the real world market data such as crude oil price and exchange rates demonstrate that AIR effectively modulates the behavior of the time series model using textual inputs, significantly enhancing forecasting accuracy in various time series forecasting tasks.
Authors: Ruifeng Tan, Weixiang Hong, Jia Li, Jiaqiang Huang, Tong-Yi Zhang
Abstract: Early prediction of battery cycle life is essential for accelerating battery research, manufacturing, and deployment. Although machine learning methods have shown encouraging results, progress is hindered by data scarcity and heterogeneity arising from diverse aging conditions. In other fields, foundation models (FMs) trained on diverse datasets have achieved broad generalization through transfer learning, but no FMs have been reported for battery cycle life prediction yet. Here we present the Pretrained Battery Transformer (PBT), the first FM for battery life prediction, developed through domain-knowledge-encoded mixture-of-expert layers. Validated on the largest public battery life database, PBT learns transferable representations from 13 lithium-ion battery datasets, outperforming existing models by an average of 19.8%. With transfer learning, PBT achieves state-of-the-art performance across 15 diverse datasets encompassing various operating conditions, formation protocols, and chemistries. This work establishes a foundation model pathway for battery lifetime prediction, paving the way toward universal battery lifetime prediction systems.
Authors: Bhrij Patel, Davide Belli, Amir Jalalirad, Maximilian Arnold, Aleksandr Ermolov, Bence Major
Abstract: Function calling agents powered by Large Language Models (LLMs) select external tools to automate complex tasks. On-device agents typically use a retrieval module to select relevant tools, improving performance and reducing context length. However, existing retrieval methods rely on static and limited inputs, failing to capture multi-step tool dependencies and evolving task context. This limitation often introduces irrelevant tools that mislead the agent, degrading efficiency and accuracy. We propose Dynamic Tool Dependency Retrieval (DTDR), a lightweight retrieval method that conditions on both the initial query and the evolving execution context. DTDR models tool dependencies from function calling demonstrations, enabling adaptive retrieval as plans unfold. We benchmark DTDR against state-of-the-art retrieval methods across multiple datasets and LLM backbones, evaluating retrieval precision, downstream task accuracy, and computational efficiency. Additionally, we explore strategies to integrate retrieved tools into prompts. Our results show that dynamic tool retrieval improves function calling success rates between $23\%$ and $104\%$ compared to state-of-the-art static retrievers.
Authors: Mahesh Keswani, Raunak Bhattacharyya
Abstract: Safe reinforcement learning (SafeRL) is a prominent paradigm for autonomous driving, where agents are required to optimize performance under strict safety requirements. This dual objective creates a fundamental tension, as overly conservative policies limit driving efficiency while aggressive exploration risks safety violations. The Safety Representations for Safer Policy Learning (SRPL) framework addresses this challenge by equipping agents with a predictive model of future constraint violations and has shown promise in controlled environments. This paper investigates whether SRPL extends to real-world autonomous driving scenarios. Systematic experiments on the Waymo Open Motion Dataset (WOMD) and NuPlan demonstrate that SRPL can improve the reward-safety tradeoff, achieving statistically significant improvements in success rate (effect sizes r = 0.65-0.86) and cost reduction (effect sizes r = 0.70-0.83), with p < 0.05 for observed improvements. However, its effectiveness depends on the underlying policy optimizer and the dataset distribution. The results further show that predictive safety representations play a critical role in improving robustness to observation noise. Additionally, in zero-shot cross-dataset evaluation, SRPL-augmented agents demonstrate improved generalization compared to non-SRPL methods. These findings collectively demonstrate the potential of predictive safety representations to strengthen SafeRL for autonomous driving.
Authors: Xiangrui Cai, Shaocheng Ma, Lei Cao, Jie Li, Tianyu Liu, Yilin Dong
Abstract: Electroencephalography (EEG) signal decoding is a key technology that translates brain activity into executable commands, laying the foundation for direct brain-machine interfacing and intelligent interaction. To address the inherent spatiotemporal heterogeneity of EEG signals, this paper proposes a multi-branch parallel architecture, where each temporal scale is equipped with an independent spatial feature extraction module. To further enhance multi-branch feature fusion, we propose a Fusion of Multiscale Features via Centralized Sparse-attention Network (EEG-CSANet), a centralized sparse-attention network. It employs a main-auxiliary branch architecture, where the main branch models core spatiotemporal patterns via multiscale self-attention, and the auxiliary branch facilitates efficient local interactions through sparse cross-attention. Experimental results show that EEG-CSANet achieves state-of-the-art (SOTA) performance across five public datasets (BCIC-IV-2A, BCIC-IV-2B, HGD, SEED, and SEED-VIG), with accuracies of 88.54%, 91.09%, 99.43%, 96.03%, and 90.56%, respectively. Such performance demonstrates its strong adaptability and robustness across various EEG decoding tasks. Moreover, extensive ablation studies are conducted to enhance the interpretability of EEG-CSANet. In the future, we hope that EEG-CSANet could serve as a promising baseline model in the field of EEG signal decoding. The source code is publicly available at: https://github.com/Xiangrui-Cai/EEG-CSANet
Authors: Carla Crivoi, Radu Tudor Ionescu
Abstract: We present the first comprehensive empirical study of machine unlearning (MU) in hybrid quantum-classical neural networks. While MU has been extensively explored in classical deep learning, its behavior within variational quantum circuits (VQCs) and quantum-augmented architectures remains largely unexplored. First, we adapt a broad suite of unlearning methods to quantum settings, including gradient-based, distillation-based, regularization-based and certified techniques. Second, we introduce two new unlearning strategies tailored to hybrid models. Experiments across Iris, MNIST, and Fashion-MNIST, under both subset removal and full-class deletion, reveal that quantum models can support effective unlearning, but outcomes depend strongly on circuit depth, entanglement structure, and task complexity. Shallow VQCs display high intrinsic stability with minimal memorization, whereas deeper hybrid models exhibit stronger trade-offs between utility, forgetting strength, and alignment with retrain oracle. We find that certain methods, e.g. EU-k, LCA, and Certified Unlearning, consistently provide the best balance across metrics. These findings establish baseline empirical insights into quantum machine unlearning and highlight the need for quantum-aware algorithms and theoretical guarantees, as quantum machine learning systems continue to expand in scale and capability. We publicly release our code at: https://github.com/CrivoiCarla/HQML.
Authors: Fan Chen, Sebastien Roch, Karl Rohe, Shuqi Yu
Abstract: In applied multivariate statistics, estimating the number of latent dimensions or the number of clusters, $k$, is a fundamental and recurring problem. We study a sequence of statistics called "cross-validated eigenvalues." Under a large class of random graph models, including both Poisson and Bernoulli edges, without parametric assumptions, we provide a $p$-value for each cross-validated eigenvalue. It tests the null hypothesis that the sample eigenvector is orthogonal to (i.e., uncorrelated with) the true latent dimensions. This approach naturally adapts to problems where some dimensions are not statistically detectable. In scenarios where all $k$ dimensions can be estimated, we show that our procedure consistently estimates $k$. In simulations and data example, the proposed estimator compares favorably to alternative approaches in both computational and statistical performance.
Authors: Alan F. Karr, Zac Bowen, Adam A. Porter, Regina Ruane
Abstract: Classifiers assign complex input data points to one of a small number of output categories. For a Bayes classifier whose input space is a graph, we study the structure of the \emph{boundary}, which comprises those points for which at least one neighbor is classified differently. The scientific setting is assignment of DNA reads produced by \NGSs\ to candidate source genomes. The boundary is both large and complicated in structure. We introduce a new measure of uncertainty, Neighbor Similarity, that compares the result for an input point to the distribution of results for its neighbors. This measure not only tracks two inherent uncertainty measures for the Bayes classifier, but also can be implemented for classifiers without inherent measures of uncertainty.
Authors: Sivakanth Gopi, Yin Tat Lee, Daogao Liu, Ruoqi Shen, Kevin Tian
Abstract: The development of efficient sampling algorithms catering to non-Euclidean geometries has been a challenging endeavor, as discretization techniques which succeed in the Euclidean setting do not readily carry over to more general settings. We develop a non-Euclidean analog of the recent proximal sampler of [LST21], which naturally induces regularization by an object known as the log-Laplace transform (LLT) of a density. We prove new mathematical properties (with an algorithmic flavor) of the LLT, such as strong convexity-smoothness duality and an isoperimetric inequality, which are used to prove a mixing time on our proximal sampler matching [LST21] under a warm start. As our main application, we show our warm-started sampler improves the value oracle complexity of differentially private convex optimization in $\ell_p$ and Schatten-$p$ norms for $p \in [1, 2]$ to match the Euclidean setting [GLL22], while retaining state-of-the-art excess risk bounds [GLLST23]. We find our investigation of the LLT to be a promising proof-of-concept of its utility as a tool for designing samplers, and outline directions for future exploration.
Authors: Murray Z. Frank, Jing Gao, Keer Yang
Abstract: Standard forecast efficiency tests interpret violations as evidence of behavioral bias. We show theoretically and empirically that rational forecasters using optimal regularization systematically violate these tests. Machine learning forecasts show near zero bias at one year horizon, but strong overreaction at two years, consistent with predictions from a model of regularization and measurement noise. We provide three complementary tests: experimental variation in regularization parameters, cross-sectional heterogeneity in firm signal quality, and quasi-experimental evidence from ML adoption around 2013. Technically trained analysts shift sharply toward overreaction post-2013. Our findings suggest reported violations may reflect statistical sophistication rather than cognitive failure.
Authors: Nicola Gnecco, Jonas Peters, Sebastian Engelke, Niklas Pfister
Abstract: Modern machine learning methods and the availability of large-scale data have significantly advanced our ability to predict target quantities from large sets of covariates. However, these methods often struggle under distributional shifts, particularly in the presence of hidden confounding. While the impact of hidden confounding is well-studied in causal effect estimation, e.g., instrumental variables, its implications for prediction tasks under shifting distributions remain underexplored. This work addresses this gap by introducing a strong notion of invariance that, unlike existing weaker notions, allows for distribution generalization even in the presence of nonlinear, non-identifiable structural functions. Central to this framework is the Boosted Control Function (BCF), a novel, identifiable target of inference that satisfies the proposed strong invariance notion and is provably worst-case optimal under distributional shifts. The theoretical foundation of our work lies in Simultaneous Equation Models for Distribution Generalization (SIMDGs), which bridge machine learning with econometrics by describing data-generating processes under distributional shifts. To put these insights into practice, we propose the ControlTwicing algorithm to estimate the BCF using nonparametric machine-learning techniques and study its generalization performance on synthetic and real-world datasets compared to robust and empirical risk minimization approaches.
Authors: Jingxi Xu, Yinsen Jia, Dongxiao Yang, Patrick Meng, Xinyue Zhu, Zihan Guo, Shuran Song, Matei Ciocarlie
Abstract: We introduce GEOTACT, the first robotic system capable of grasping and retrieving objects of potentially unknown shapes buried in a granular environment. While important in many applications, ranging from mining and exploration to search and rescue, this type of interaction with granular media is difficult due to the uncertainty stemming from visual occlusion and noisy contact signals. To address these challenges, we use a learning method relying exclusively on touch feedback, trained end-to-end with simulated sensor noise. We show that our problem formulation leads to the natural emergence of learned pushing behaviors that the manipulator uses to reduce uncertainty and funnel the object to a stable grasp despite spurious and noisy tactile readings. We introduce a training curriculum that bootstraps learning in simulated granular environments, enabling zero-shot transfer to real hardware. Despite being trained only on seven objects with primitive shapes, our method is shown to successfully retrieve 35 different objects, including rigid, deformable, and articulated objects with complex shapes. Videos and additional information can be found at https://jxu.ai/geotact.
URLs: https://jxu.ai/geotact.
Authors: Mehryar Abbasi, Hadi Hadizadeh, Parvaneh Saeedi
Abstract: This paper presents a novel approach for unsupervised video summarization using reinforcement learning (RL), addressing limitations like unstable adversarial training and reliance on heuristic-based reward functions. The method operates on the principle that reconstruction fidelity serves as a proxy for informativeness, correlating summary quality with reconstruction ability. The summarizer model assigns importance scores to frames to generate the final summary. For training, RL is coupled with a unique reward generation pipeline that incentivizes improved reconstructions. This pipeline uses a generator model to reconstruct the full video from the selected summary frames; the similarity between the original and reconstructed video provides the reward signal. The generator itself is pre-trained self-supervisedly to reconstruct randomly masked frames. This two-stage training process enhances stability compared to adversarial architectures. Experimental results show strong alignment with human judgments and promising F-scores, validating the reconstruction objective.
Authors: Arian Askari, Chuan Meng, Mohammad Aliannejadi, Zhaochun Ren, Evangelos Kanoulas, Suzan Verberne
Abstract: Existing generative retrieval (GR) methods rely on training-based indexing, which fine-tunes a model to memorise associations between queries and the document identifiers (docids) of relevant documents. Training-based indexing suffers from high training costs, under-utilisation of pre-trained knowledge in large language models (LLMs), and limited adaptability to dynamic document corpora. To address the issues, we propose a few-shot indexing-based GR framework (Few-Shot GR). It has a few-shot indexing process without any training, where we prompt an LLM to generate docids for all documents in a corpus, ultimately creating a docid bank for the entire corpus. During retrieval, we feed a query to the same LLM and constrain it to generate a docid within the docid bank created during indexing, and then map the generated docid back to its corresponding document. Moreover, we devise few-shot indexing with one-to-many mapping to further enhance Few-Shot GR. Experiments show that Few-Shot GR achieves superior performance to state-of-the-art GR methods requiring heavy training.
Authors: Keyu Chen, Ziqian Bi, Tianyang Wang, Yizhu Wen, Pohsun Feng, Qian Niu, Junyu Liu, Benji Peng, Sen Zhang, Ming Li, Xuanhe Pan, Jiawei Xu, Jinlang Wang, Xinyuan Song, Ming Liu
Abstract: This book, Design Patterns in Machine Learning and Deep Learning: Advancing Big Data Analytics Management, presents a comprehensive study of essential design patterns tailored for large-scale machine learning and deep learning applications. The book explores the application of classical software engineering patterns, Creational, Structural, Behavioral, and Concurrency Patterns, to optimize the development, maintenance, and scalability of big data analytics systems. Through practical examples and detailed Python implementations, it bridges the gap between traditional object-oriented design patterns and the unique demands of modern data analytics environments. Key design patterns such as Singleton, Factory, Observer, and Strategy are analyzed for their impact on model management, deployment strategies, and team collaboration, providing invaluable insights into the engineering of efficient, reusable, and flexible systems. This volume is an essential resource for developers, researchers, and engineers aiming to enhance their technical expertise in both machine learning and software design.
Authors: Debjyoti Saha Roy, Byron C. Wallace, Javed A. Aslam
Abstract: State-of-the-art Extreme Multi-Label Text Classification models rely on multi-label attention to focus on key tokens in input text, but learning good attention weights is challenging. We introduce PLANT - Pretrained and Leveraged Attention - a plug-and-play strategy for initializing attention. PLANT works by planting label-specific attention using a pretrained Learning-to-Rank model guided by mutual information gain. This architecture-agnostic approach integrates seamlessly with large language model backbones such as Mistral-7B, LLaMA3-8B, DeepSeek-V3, and Phi-3. PLANT outperforms state-of-the-art methods across tasks including ICD coding, legal topic classification, and content recommendation. Gains are especially pronounced in few-shot settings, with substantial improvements on rare labels. Ablation studies confirm that attention initialization is a key driver of these gains. For code and trained models, see https://github.com/debjyotiSRoy/xcube/tree/plant
Authors: Eoin M. Kenny, Akshay Dharmavaram, Sang Uk Lee, Tung Phan-Minh, Shreyas Rajesh, Yunqing Hu, Laura Major, Momchil S. Tomov, Julie A. Shah
Abstract: Self-driving cars increasingly rely on deep neural networks to achieve human-like driving. The opacity of such black-box planners makes it challenging for the human behind the wheel to accurately anticipate when they will fail, with potentially catastrophic consequences. While research into interpreting these systems has surged, most of it is confined to simulations or toy setups due to the difficulty of real-world deployment, leaving the practical utility of such techniques unknown. Here, we introduce the Concept-Wrapper Network (CW-Net), a method for explaining the behavior of machine-learning-based planners by grounding their reasoning in human-interpretable concepts. We deploy CW-Net on a real self-driving car and show that the resulting explanations improve the human driver's mental model of the car, allowing them to better predict its behavior. To our knowledge, this is the first demonstration that explainable deep learning integrated into self-driving cars can be both understandable and useful in a realistic deployment setting. CW-Net accomplishes this level of intelligibility while providing explanations which are causally faithful and do not sacrifice driving performance. Overall, our study establishes a general pathway to interpretability for autonomous agents by way of concept-based explanations, which could help make them more transparent and safe.
Authors: Ji Ma
Abstract: Large language models (LLMs) increasingly serve as human-like decision-making agents in social science and applied settings. These LLM-agents are typically assigned human-like characters and placed in real-life contexts. However, how these characters and contexts shape an LLM's behavior remains underexplored. This study proposes and tests methods for probing, quantifying, and modifying an LLM's internal representations in a Dictator Game, a classic behavioral experiment on fairness and prosocial behavior. We extract ``vectors of variable variations'' (e.g., ``male'' to ``female'') from the LLM's internal state. Manipulating these vectors during the model's inference can substantially alter how those variables relate to the model's decision-making. This approach offers a principled way to study and regulate how social concepts can be encoded and engineered within transformer-based models, with implications for alignment, debiasing, and designing AI agents for social simulations in both academic and commercial applications, strengthening sociological theory and measurement.
Authors: Yancheng Wang, Nebojsa Jojic, Yingzhen Yang
Abstract: Attention mechanisms have been widely used in deep learning, and recent efforts have been devoted to incorporating attention modules into deep neural networks (DNNs) for person Re-Identification (Re-ID) to enhance their discriminative feature learning capabilities. Existing attention modules, including self-attention and channel attention, learn attention weights that quantify the importance of feature tokens or feature channels. However, existing attention methods do not explicitly ensure that the attention weights are informative for predicting the identity of the person in the input image, and may consequently introduce noisy information from the input image. To address this issue, we propose a novel method termed Reduction of Information Bottleneck loss (RIB), motivated by the principle of the Information Bottleneck (IB). A novel distribution-free and efficient variational upper bound for the IB loss (IBB), which can be optimized by standard SGD, is derived and incorporated into the training loss of the RIB models. RIB is applied to DNNs with self-attention modules through a novel Differentiable Channel Selection Attention module, or DCS-Attention, that selects the most informative channels for computing attention weights, leading to competitive models termed RIB-DCS. RIB is also incorporated into DNNs with existing channel attention modules to promote the learning of informative channel attention weights, leading to models termed RIB-CA. Both RIB-DCS and RIB-CA are applied to fixed neural network backbones and learnable backbones with Differentiable Neural Architecture Search (DNAS). Extensive experiments on multiple person Re-ID benchmarks show that RIB significantly enhances the prediction accuracy of DNNs for person Re-ID, even for the occluded person Re-ID.
Authors: Sazzad Hossain, Ponkrshnan Thiagarajan, Shashank Pathrudkar, Stephanie Taylor, Abhijeet S. Gangan, Amartya S. Banerjee, Susanta Ghosh
Abstract: Accurate prediction of electronic structure underpins advances in chemistry, materials science, and condensed matter physics. In recent years, Machine Learning (ML) has enabled the development of powerful surrogate models that can enable the prediction of the ground state electron density and related properties at a fraction of the computational cost of conventional first principles simulations. Such ML models typically rely on massive datasets generated through expensive Kohn-Sham Density Functional Theory calculations. A key reason for relying on such large datasets is the lack of prior knowledge about which portions of the data are essential, and which are redundant. This study reveals significant redundancies in electronic structure datasets across various material systems, including molecules, simple metals, and chemically complex alloys -- challenging the notion that extensive datasets are essential for accurate ML-based electronic structure predictions. We demonstrate that even random pruning can substantially reduce dataset size with minimal loss in predictive accuracy. Furthermore, a state-of-the-art coverage-based pruning strategy that selects data across all learning difficulties, retains chemical accuracy and model generalizability using up to 100-fold less data, while reducing training time by threefold or greater. By contrast, widely used importance-based pruning methods, which eliminate easy-to-learn data, can catastrophically fail at higher pruning factors due to significant reduction in data coverage. This heretofore unexplored high redundancy in electronic structure data holds the potential to identify a minimal, essential dataset representative of each material class.
Authors: Moises Andrade, Joonhyuk Cha, Brandon Ho, Vriksha Srihari, Karmesh Yadav, Zsolt Kira
Abstract: Verifiers--functions assigning rewards to agent behavior--have been key for AI progress in domains like math and code. However, extending gains to domains without clear-cut success criteria (e.g., computer use) remains a challenge: while humans can recognize desired outcomes, translating this intuition into scalable rules is nontrivial. Multimodal Large Language Models (MLLMs) emerge as a promising solution, given their world knowledge, human-preference alignment, and reasoning skills. We evaluate MLLMs as verifiers across web navigation, computer use, and robotic manipulation, and identify a critical limitation: a strong tendency to over-validate agent behavior, a phenomenon we term agreement bias. This bias is pervasive across models, resilient to test-time scaling, and poses risks to existing methods relying on MLLM evaluations. We discuss methods to evaluate and improve MLLM verifiers and introduce Self-Grounded Verification (SGV), a lightweight method that harnesses MLLMs' own sampling mechanisms by modulating (un)conditional generation to better leverage their knowledge, alignment, and reasoning. SGV operates in two steps: first, the MLLM is elicited to generate broad priors about desired behavior, independent of the data under evaluation. Then, conditioned on self-generated priors, it reasons over and evaluates a candidate trajectory. SGV yields more human-aligned evaluations with gains of up to 25pp in failure detection, 14pp in accuracy, and benefits extending to downstream applications. In self-refinement and online supervision, SGV boosts task completion of a GUI specialist in OSWorld, a diffusion policy in robomimic, and a ReAct agent in VisualWebArena--setting a new state of the art, surpassing the previous best by 20pp. We release an updated version of VisualWebArena featuring more human-aligned evaluators, high-fidelity environment parallelism, and speedups of over 10x.
Authors: Benoit Dherin, Michael Munn, Hanna Mazzawi, Michael Wunder, Javier Gonzalvo
Abstract: One of the most striking features of Large Language Models (LLMs) is their ability to learn in-context. Namely at inference time an LLM is able to learn new patterns without any additional weight update when these patterns are presented in the form of examples in the prompt, even if these patterns were not seen during training. The mechanisms through which this can happen are still largely unknown. In this work, we show that the stacking of a self-attention layer with an MLP, allows the transformer block to implicitly modify the weights of the MLP layer according to the context. We argue through theory and experimentation that this simple mechanism may be the reason why LLMs can learn in-context and not only during training. Specifically, we show how a transformer block implicitly transforms a context into a low-rank weight-update of its MLP layer.
Authors: Jayadeep Jacob, Wenzheng Zhang, Houston Warren, Paulo Borges, Tirthankar Bandyopadhyay, Fabio Ramos
Abstract: Manipulating clusters of deformable objects presents a substantial challenge with widespread applicability, but requires contact-rich whole-arm interactions. A potential solution must address the limited capacity for realistic model synthesis, high uncertainty in perception, and the lack of efficient spatial abstractions, among others. We propose a novel framework for learning model-free policies integrating two modalities: 3D point clouds and proprioceptive touch indicators, emphasising manipulation with full body contact awareness, going beyond traditional end-effector modes. Our reinforcement learning framework leverages a distributional state representation, aided by kernel mean embeddings, to achieve improved training efficiency and real-time inference. Furthermore, we propose a novel context-agnostic occlusion heuristic to clear deformables from a target region for exposure tasks. We deploy the framework in a power line clearance scenario and observe that the agent generates creative strategies leveraging multiple arm links for de-occlusion. Finally, we perform zero-shot sim-to-real policy transfer, allowing the arm to clear real branches with unknown occlusion patterns, unseen topology, and uncertain dynamics. Website: https://sites.google.com/view/dcmwap/
Authors: Zhangyu You, Jiahao Ma, Hongzong Li, Ye-Fan Hu, Jian-Dong Huang
Abstract: Accurate prediction of antibody-binding sites (epitopes) on antigens is crucial for vaccine design, immunodiagnostics, therapeutic antibody development, antibody engineering, research into autoimmune and allergic diseases, and advancing our understanding of immune responses. Despite in silico methods that have been proposed to predict both linear (continuous) and conformational (discontinuous) epitopes, they consistently underperform in predicting conformational epitopes. In this work, we propose Conformer-based models trained separately on AlphaFold-predicted structures and experimentally determined structures, leveraging convolutional neural networks (CNNs) to extract local features and Transformers to capture long-range dependencies within antigen sequences. Ablation studies demonstrate that CNN enhances the prediction of linear epitopes, and the Transformer module improves the prediction of conformational epitopes. Experimental results show that our model outperforms existing baselines in terms of MCC, ROC-AUC, PR-AUC, and F1 scores on both linear and conformational epitopes.
Authors: Hemanth Chandravamsi, Dhanush V. Shenoy, Itay Zinn, Ziv Chen, Shimon Pisnoy, Steven H. Frankel
Abstract: This work identifies and attempts to address a fundamental limitation of implicit neural representations with sinusoidal activation. The fitting error of SIRENs is highly sensitive to the target frequency content and to the choice of initialization. In extreme cases, this sensitivity leads to a spectral bottleneck that can result in a zero-valued output. This phenomenon is characterized by analyzing the evolution of activation spectra and the empirical neural tangent kernel (NTK) during the training process. An unfavorable distribution of energy across frequency modes was noted to give rise to this failure mode. Furthermore, the effect of Gaussian perturbations applied to the baseline uniformly initialized weights is examined, showing how these perturbations influence activation spectra and the NTK eigenbasis of SIREN. Overall, initialization emerges as a central factor governing the evolution of SIRENs, indicating the need for adaptive, target-aware strategies as the target length increases and fine-scale detail becomes essential. The proposed weight initialization scheme (WINNER) represents a simple ad hoc step in this direction and demonstrates that fitting accuracy can be significantly improved by modifying the spectral profile of network activations through a target-aware initialization. The approach achieves state-of-the-art performance on audio fitting tasks and yields notable improvements in image fitting tasks.
Authors: Francesco C. Mantegazza, Federica Caforio, Christoph Augustin, Matthias A. F. Gsell, Gundolf Haase, Elias Karabelas
Abstract: Personalized cardiac diagnostics require accurate reconstruction of myocardial displacement fields from sparse clinical imaging data, yet current methods often demand intrusive access to computational models. In this work, we apply the non-intrusive Parametrized-Background Data-Weak (PBDW) approach to three-dimensional (3D) cardiac displacement field reconstruction from limited Magnetic Resonance Image (MRI)-like observations. Our implementation requires only solution snapshots -- no governing equations, assembly routines, or solver access -- enabling immediate deployment across commercial and research codes using different constitutive models. Additionally, we introduce two enhancements: an H-size minibatch worst-case Orthogonal Matching Pursuit (wOMP) algorithm that improves Sensor Selection (SS) computational efficiency while maintaining reconstruction accuracy, and memory optimization techniques exploiting block matrix structures in vectorial problems. We demonstrate the effectiveness of the method through validation on a 3D left ventricular model with simulated scar tissue. Starting with noise-free reconstruction, we systematically incorporate Gaussian noise and spatial sparsity mimicking realistic MRI acquisition protocols. Results show exceptional accuracy in noise-free conditions (relative L2 error of order O(1e-5)), robust performance with 10% noise (relative L2 error of order O(1e-2)), and effective reconstruction from sparse measurements (relative L2 error of order O(1e-2)). The online reconstruction achieves four-order-of-magnitude computational speed-up compared to full Finite Element (FE) simulations, with reconstruction times under one tenth of second for sparse scenarios, demonstrating significant potential for integration into clinical cardiac modeling workflows.
Authors: Soroosh Tayebi Arasteh, Mina Shaigan, Christiane Kuhl, Jakob Nikolas Kather, Sven Nebelung, Daniel Truhn
Abstract: Self-supervised learning (SSL) has advanced visual representation learning, but its value in chest radiography, a high-volume imaging modality with fine-grained findings, remains unclear. Meta's DINOv3 extends earlier SSL models through Gram-anchored self-distillation. Whether these design choices improve transfer learning for chest radiography has not been systematically tested. We benchmarked DINOv3 against DINOv2 and ImageNet initialization across seven datasets (n>814,000). Two representative backbones were evaluated: ViT-B/16 and ConvNeXt-B. Images were analyzed at 224x224, 512x512, and 1024x1024 pixels. We additionally assessed frozen features from a 7B model. The primary outcome was mean AUROC across labels. At 224x224, DINOv3 and DINOv2 achieved comparable performance on adult datasets. Increasing resolution to 512x512 yielded consistent improvements for DINOv3 over both DINOv2 and ImageNet. In contrast, results in pediatric cohort showed no differences across initializations. Across all settings, ConvNeXt-B outperformed ViT-B/16. Models using frozen DINOv3-7B features underperformed relative to fully finetuned 86-89M-parameter backbones, highlighting the importance of domain adaptation. Scaling to 1024x1024 did not further improve accuracy. Resolution-related gains were most evident for boundary-dependent and small focal abnormalities. In chest radiography, higher input resolution is critical for leveraging the benefits of modern self-supervised models. 512x512 pixels represent a practical upper limit where DINOv3-initialized ConvNeXt-B networks provide the strongest performance, while larger inputs offer minimal return on cost. Clinically, these findings support use of finetuned, mid-sized backbones at 512x512 for chest radiograph interpretation, with the greatest gains expected in detecting subtle or boundary-centered lesions relevant to emergency and critical care settings.
Authors: Chung-Soo Ahn, Rajib Rana, Sunil Sivadas, Carlos Busso, Jagath C. Rajapakse
Abstract: Lack of large, well-annotated emotional speech corpora continues to limit the performance and robustness of speech emotion recognition (SER), particularly as models grow more complex and the demand for multimodal systems increases. While generative data augmentation offers a promising solution, existing approaches often produce emotionally inconsistent samples due to oversimplified conditioning on categorical labels. This paper introduces a novel mutual-information-regularised generative framework that combines cross-modal alignment with feature-level synthesis. Building on an InfoGAN-style architecture, our method first learns a semantically aligned audio-text representation space using pre-trained transformers and contrastive objectives. A feature generator is then trained to produce emotion-aware audio features while employing mutual information as a quantitative regulariser to ensure strong dependency between generated features and their conditioning variables. We extend this approach to multimodal settings, enabling the generation of novel, paired (audio, text) features. Comprehensive evaluation on three benchmark datasets (IEMOCAP, MSP-IMPROV, MSP-Podcast) demonstrates that our framework consistently outperforms existing augmentation methods, achieving state-of-the-art performance with improvements of up to 2.6% in unimodal SER and 3.2% in multimodal emotion recognition. Most importantly, we demonstrate that mutual information functions as both a regulariser and a measurable metric for generative quality, offering a systematic approach to data augmentation in affective computing.
Authors: Chun Chet Ng, Wei Zeng Low, Jia Yu Lim, Yin Yin Boon
Abstract: Despite accounting for 96.1% of all businesses in Malaysia, access to financing remains one of the most persistent challenges faced by Micro, Small, and Medium Enterprises (MSMEs). Newly established businesses are often excluded from formal credit markets as traditional underwriting approaches rely heavily on credit bureau data. This study investigates the potential of bank statement data as an alternative data source for credit assessment to promote financial inclusion in emerging markets. First, we propose a cash flow-based underwriting pipeline where we utilise bank statement data for end-to-end data extraction and machine learning credit scoring. Second, we introduce a novel dataset of 611 loan applicants from a Malaysian lending institution. Third, we develop and evaluate credit scoring models based on application information and bank transaction-derived features. Empirical results show that the use of such data boosts the performance of all models on our dataset, which can improve credit scoring for new-to-lending MSMEs. Finally, we will release the anonymised bank transaction dataset to facilitate further research on MSME financial inclusion within Malaysia's emerging economy.
Authors: Xiaoyu Zhang, Mingtao Hu, Sen Lu, Soohyeon Kim, Eric Yeu-Jer Lee, Yuyang Liu, Wei D. Lu
Abstract: State space models (SSMs) have recently emerged as a powerful framework for long sequence processing, outperforming traditional methods on diverse benchmarks. Fundamentally, SSMs can generalize both recurrent and convolutional networks and have been shown to even capture key functions of biological systems. Here we report an approach to implement SSMs in energy-efficient compute-in-memory (CIM) hardware to achieve real-time, event-driven processing. Our work re-parameterizes the model to function with real-valued coefficients and shared decay constants, reducing the complexity of model mapping onto practical hardware systems. By leveraging device dynamics and diagonalized state transition parameters, the state evolution can be natively implemented in crossbar-based CIM systems combined with memristors exhibiting short-term memory effects. Through this algorithm and hardware co-design, we show the proposed system offers both high accuracy and high energy efficiency while supporting fully asynchronous processing for event-based vision and audio tasks.
Authors: Mikael Lundb\"ack, Erik Wallin, Carola H\"aggstr\"om, Mattias Nystr\"om, Andreas Gr\"onlund, Mats Richardson, Petrus J\"onsson, William Arnvik, Lucas Hedstr\"om, Arvid F\"alldin, Martin Servin
Abstract: We present FORWARD, a high-resolution multimodal dataset of a cut-to-length forwarder operating in rough terrain on two harvest sites in the middle part of Sweden. The forwarder is a large Komatsu model equipped with vehicle telematics sensors, including global positioning via satellite navigation, movement sensors, accelerometers, and engine sensors. The vehicle was additionally equipped with cameras, operator vibration sensors, and multiple IMUs. The data includes event time logs recorded at 5 Hz of driving speed, fuel consumption, vehicle position with centimeter accuracy, and crane use while the vehicle operates in forest areas, aerially laser-scanned with a resolution of around 1500 points per square meter. Production log files (StanForD standard) with time-stamped machine events, extensive video material, and terrain data in various formats are included as well. About 18 hours of regular wood extraction work during three days is annotated from 360-video material into individual work elements and included in the dataset. We also include scenario specifications of conducted experiments on forest roads and in terrain. Scenarios include repeatedly driving the same routes with and without steel tracks, different load weights, and different target driving speeds. The dataset is intended for developing models and algorithms for trafficability, perception, and autonomous control of forest machines using artificial intelligence, simulation, and experiments on physical testbeds. In part, we focus on forwarders traversing terrain, avoiding or handling obstacles, and loading or unloading logs, with consideration for efficiency, fuel consumption, safety, and environmental impact. Other benefits of the open dataset include the ability to explore auto-generation and calibration of forestry machine simulators and automation scenario descriptions using the data recorded in the field.
Authors: Yunfei Li, Xiao Ma, Jiafeng Xu, Yu Cui, Zhongren Cui, Zhigang Han, Liqun Huang, Tao Kong, Yuxiao Liu, Hao Niu, Wanli Peng, Jingchao Qiao, Zeyu Ren, Haixin Shi, Zhi Su, Jiawen Tian, Yuyang Xiao, Shenyu Zhang, Liwei Zheng, Hang Li, Yonghui Wu
Abstract: We present GR-RL, a robotic learning framework that turns a generalist vision-language-action (VLA) policy into a highly capable specialist for long-horizon dexterous manipulation. Assuming the optimality of human demonstrations is core to existing VLA policies. However, we claim that in highly dexterous and precise manipulation tasks, human demonstrations are noisy and suboptimal. GR-RL proposes a multi-stage training pipeline that filters, augments, and reinforces the demonstrations by reinforcement learning. First, GR-RL learns a vision-language-conditioned task progress, filters the demonstration trajectories, and only keeps the transitions that contribute positively to the progress. Specifically, we show that by directly applying offline RL with sparse reward, the resulting $Q$-values can be treated as a robust progress function. Next, we introduce morphological symmetry augmentation that greatly improves the generalization and performance of GR-RL. Lastly, to better align the VLA policy with its deployment behaviors for high-precision control, we perform online RL by learning a latent space noise predictor. With this pipeline, GR-RL is, to our knowledge, the first learning-based policy that can autonomously lace up a shoe by threading shoelaces through multiple eyelets with an 83.3% success rate, a task requiring long-horizon reasoning, millimeter-level precision, and compliant soft-body interaction. We hope GR-RL provides a step toward enabling generalist robot foundation models to specialize into reliable real-world experts.
Authors: Albert Dorador
Abstract: Reliable estimation of feature contributions in machine learning models is essential for trust, transparency and regulatory compliance, especially when models are proprietary or otherwise operate as black boxes. While permutation-based methods are a standard tool for this task, classical implementations rely on repeated random permutations, introducing computational overhead and stochastic instability. In this paper, we show that by replacing multiple random permutations with a single, deterministic, and optimal permutation, we achieve a method that retains the core principles of permutation-based importance while being non-random, faster, and more stable. We validate this approach across nearly 200 scenarios, including real-world household finance and credit risk applications, demonstrating improved bias-variance tradeoffs and accuracy in challenging regimes such as small sample sizes, high dimensionality, and low signal-to-noise ratios. Finally, we introduce Systemic Variable Importance, a natural extension designed for model stress-testing that explicitly accounts for feature correlations. This framework provides a transparent way to quantify how shocks or perturbations propagate through correlated inputs, revealing dependencies that standard variable importance measures miss. Two real-world case studies demonstrate how this metric can be used to audit models for hidden reliance on protected attributes (e.g., gender or race), enabling regulators and practitioners to assess fairness and systemic risk in a principled and computationally efficient manner.
Authors: Konstantinos Kalogiannis, Ahmed Mohamed Hussain, Hexu Li, Panos Papadimitratos
Abstract: Vehicular platooning promises transformative improvements in transportation efficiency and safety through the coordination of multi-vehicle formations enabled by Vehicle-to-Everything (V2X) communication. However, the distributed nature of platoon coordination creates security vulnerabilities, allowing authenticated vehicles to inject falsified kinematic data, compromise operational stability, and pose a threat to passenger safety. Traditional misbehaviour detection approaches, which rely on plausibility checks and statistical methods, suffer from high False Positive (FP) rates and cannot capture the complex temporal dependencies inherent in multi-vehicle coordination dynamics. We present Attention In Motion (AIMformer), a transformer-based framework specifically tailored for real-time misbehaviour detection in vehicular platoons with edge deployment capabilities. AIMformer leverages multi-head self-attention mechanisms to simultaneously capture intra-vehicle temporal dynamics and inter-vehicle spatial correlations. It incorporates global positional encoding with vehicle-specific temporal offsets to handle join/exit maneuvers. We propose a Precision-Focused Binary Cross-Entropy (PFBCE) loss function that penalizes FPs to meet the requirements of safety-critical vehicular systems. Extensive evaluation across 4 platoon controllers, multiple attack vectors, and diverse mobility scenarios demonstrates superior performance ($\geq$ 0.93) compared to state-of-the-art baseline architectures. A comprehensive deployment analysis utilizing TensorFlow Lite (TFLite), Open Neural Network Exchange (ONNX), and TensorRT achieves sub-millisecond inference latency, making it suitable for real-time operation on resource-constrained edge platforms. Hence, validating AIMformer is viable for both in-vehicle and roadside infrastructure deployment.
Authors: Bong-Gyu Jang, Younwoo Jeong, Changeun Kim
Abstract: We introduce the Consensus-Bottleneck Asset Pricing Model (CB-APM), a partially interpretable neural network that replicates the reasoning processes of sell-side analysts by capturing how dispersed investor beliefs are compressed into asset prices through a consensus formation process. By modeling this "bottleneck" to summarize firm- and macro-level information, CB-APM not only predicts future risk premiums of U.S. equities but also links belief aggregation to expected returns in a structurally interpretable manner. The model improves long-horizon return forecasts and outperforms standard deep learning approaches in both predictive accuracy and explanatory power. Comprehensive portfolio analyses show that CB-APM's out-of-sample predictions translate into economically meaningful payoffs, with monotonic return differentials and stable long-short performance across regularization settings. Empirically, CB-APM leverages consensus as a regularizer to amplify long-horizon predictability and yields interpretable consensus-based components that clarify how information is priced in returns. Moreover, regression and Gibbons-Ross-Shanken (GRS)-based pricing diagnostics reveal that the learned consensus representations capture priced variation only partially spanned by traditional factor models, demonstrating that CB-APM uncovers belief-driven structure in expected returns beyond the canonical factor space. Overall, CB-APM provides an interpretable and empirically grounded framework for understanding belief-driven return dynamics.
Authors: Jian Yan
Abstract: This paper proposes the External Hippocampus framework, which models language model reasoning from a cognitive dynamics perspective as the flow of information energy in semantic space. Unlike traditional weight-space optimization methods, this framework constructs topological cognitive maps through dimensionality reduction projection, enabling precise navigation and intervention of energy flow at test time while avoiding substantial computational requirements and demonstrating predictable intervention patterns. The method effectively addresses the cognitive deadlock problem in multi-step reasoning for small models. Experiments on models <=7B parameters show: map-guided methods achieve 81.20% accuracy on 500 challenging problems (relative baseline +16.80%), reduce reasoning time by >= 15x, with key findings revealing that reasoning stagnation manifests as "Cognitive Vortex" and low-entropy potential wells, while temperature perturbations effectively restart energy flow. The framework requires no additional training, possesses autonomous growth capability, and provides an efficient and controllable topological-aware solution for small model reasoning.
Authors: Hengrui Jia, Taoran Li, Jonas Guan, Varun Chandrasekaran
Abstract: Machine unlearning aims to remove specific data influences from trained models, a capability essential for adhering to copyright laws and ensuring AI safety. Current unlearning metrics typically measure success by monitoring the model's performance degradation on the specific unlearning dataset ($D_u$). We argue that for Large Language Models (LLMs), this evaluation paradigm is insufficient and potentially misleading. Many real-world uses of unlearning--motivated by copyright or safety--implicitly target not only verbatim content in $D_u$, but also behaviors influenced by the broader generalizations the model derived from it. We demonstrate that LLMs can pass standard unlearning evaluation and appear to have "forgotten" the target knowledge, while simultaneously retaining strong capabilities on content that is semantically adjacent to $D_u$. This phenomenon indicates that erasing exact sentences does not necessarily equate to removing the underlying knowledge. To address this gap, we propose Proximal Surrogate Generation (PSG), an automated stress-testing framework that generates a surrogate dataset, $\tilde{D}_u$. This surrogate set is constructed to be semantically derived from $D_u$ yet sufficiently distinct in embedding space. By comparing unlearning metric scores between $D_u$ and $\tilde{D}_u$, we can stress-test the reliability of the metric itself. Our extensive evaluation across three LLM families (Llama-3-8B, Qwen2.5-7B, and Zephyr-7B-$\beta$), three distinct datasets, and seven standard metrics reveals widespread inconsistencies. We find that current metrics frequently overestimate unlearning success, failing to detect retained knowledge exposed by our stress-test datasets.
Authors: Kirill Djebko, Tom Baumann, Erik Dilger, Frank Puppe, Sergio Montenegro
Abstract: Attitude control is essential for many satellite missions. Classical controllers, however, are time-consuming to design and sensitive to model uncertainties and variations in operational boundary conditions. Deep Reinforcement Learning (DRL) offers a promising alternative by learning adaptive control strategies through autonomous interaction with a simulation environment. Overcoming the Sim2Real gap, which involves deploying an agent trained in simulation onto the real physical satellite, remains a significant challenge. In this work, we present the first successful in-orbit demonstration of an AI-based attitude controller for inertial pointing maneuvers. The controller was trained entirely in simulation and deployed to the InnoCube 3U nanosatellite, which was developed by the Julius-Maximilians-Universit\"at W\"urzburg in cooperation with the Technische Universit\"at Berlin, and launched in January 2025. We present the AI agent design, the methodology of the training procedure, the discrepancies between the simulation and the observed behavior of the real satellite, and a comparison of the AI-based attitude controller with the classical PD controller of InnoCube. Steady-state metrics confirm the robust performance of the AI-based controller during repeated in-orbit maneuvers.