Authors: Shruti Saxena, Arijit Khan, Joydeep Chandra
Abstract: Network alignment (NA) identifies corresponding nodes across multiple networks, with applications in domains like social networks, co-authorship, and biology. Despite advances in alignment models, their interpretability remains limited, making it difficult to understand alignment decisions and posing challenges in building trust, particularly in high-stakes domains. To address this, we introduce NAEx, a plug-and-play, model-agnostic framework that explains alignment models by identifying key subgraphs and features influencing predictions. NAEx addresses the key challenge of preserving the joint cross-network dependencies on alignment decisions by: (1) jointly parameterizing graph structures and feature spaces through learnable edge and feature masks, and (2) introducing an optimization objective that ensures explanations are both faithful to the original predictions and enable meaningful comparisons of structural and feature-based similarities between networks. NAEx is an inductive framework that efficiently generates NA explanations for previously unseen data. We introduce evaluation metrics tailored to alignment explainability and demonstrate NAEx's effectiveness and efficiency on benchmark datasets by integrating it with four representative NA models.
Authors: Xiaoqi Dong, Xiangyu Zhou, Nicholas Evans, Yujia Lin
Abstract: Text-to-Image (T2I) generation has made significant advancements with diffusion models, yet challenges persist in handling complex instructions, ensuring fine-grained content control, and maintaining deep semantic consistency. Existing T2I models often struggle with tasks like accurate text rendering, precise pose generation, or intricate compositional coherence. Concurrently, Vision-Language Models (LVLMs) have demonstrated powerful capabilities in cross-modal understanding and instruction following. We propose LumiGen, a novel LVLM-enhanced iterative framework designed to elevate T2I model performance, particularly in areas requiring fine-grained control, through a closed-loop, LVLM-driven feedback mechanism. LumiGen comprises an Intelligent Prompt Parsing & Augmentation (IPPA) module for proactive prompt enhancement and an Iterative Visual Feedback & Refinement (IVFR) module, which acts as a "visual critic" to iteratively correct and optimize generated images. Evaluated on the challenging LongBench-T2I Benchmark, LumiGen achieves a superior average score of 3.08, outperforming state-of-the-art baselines. Notably, our framework demonstrates significant improvements in critical dimensions such as text rendering and pose expression, validating the effectiveness of LVLM integration for more controllable and higher-quality image generation.
Authors: Youran Zhou, Mohamed Reda Bouadjenek, Sunil Aryal
Abstract: Incomplete data is a persistent challenge in real-world datasets, often governed by complex and unobservable missing mechanisms. Simulating missingness has become a standard approach for understanding its impact on learning and analysis. However, existing tools are fragmented, mechanism-limited, and typically focus only on numerical variables, overlooking the heterogeneous nature of real-world tabular data. We present MissMecha, an open-source Python toolkit for simulating, visualizing, and evaluating missing data under MCAR, MAR, and MNAR assumptions. MissMecha supports both numerical and categorical features, enabling mechanism-aware studies across mixed-type tabular datasets. It includes visual diagnostics, MCAR testing utilities, and type-aware imputation evaluation metrics. Designed to support data quality research, benchmarking, and education,MissMecha offers a unified platform for researchers and practitioners working with incomplete data.
Authors: Nan Li, Wanting Yang, Marie Siew, Zehui Xiong, Binbin Chen, Shiwen Mao, Kwok-Yan Lam
Abstract: Diffusion models (DMs) have emerged as powerful tools for high-quality content generation, yet their intensive computational requirements for inference pose challenges for resource-constrained edge devices. Cloud-based solutions aid in computation but often fall short in addressing privacy risks, personalization efficiency, and communication costs in multi-user edge-AIGC scenarios. To bridge this gap, we first analyze existing edge-AIGC applications in personalized content synthesis, revealing their limitations in efficiency and scalability. We then propose a novel cluster-aware hierarchical federated aggregation framework. Based on parameter-efficient local fine-tuning via Low-Rank Adaptation (LoRA), the framework first clusters clients based on the similarity of their uploaded task requirements, followed by an intra-cluster aggregation for enhanced personalization at the server-side. Subsequently, an inter-cluster knowledge interaction paradigm is implemented to enable hybrid-style content generation across diverse clusters.Building upon federated learning (FL) collaboration, our framework simultaneously trains personalized models for individual users at the devices and a shared global model enhanced with multiple LoRA adapters on the server,enabling efficient edge inference; meanwhile, all prompts for clustering and inference are encoded prior to transmission, thereby further mitigating the risk of plaintext leakage. Our evaluations demonstrate that the framework achieves accelerated convergence while maintaining practical viability for scalable multi-user personalized AIGC services under edge constraints.
Authors: Pengtao Dang, Tingbo Guo, Sha Cao, Chi Zhang
Abstract: Few-shot learning (FSL) is a machine learning paradigm that aims to generalize models from a small number of labeled examples, typically fewer than 10 per class. FSL is particularly crucial in biomedical, environmental, materials, and mechanical sciences, where samples are limited and data collection is often prohibitively costly, time-consuming, or ethically constrained. In this study, we present an innovative approach to FSL by demonstrating that a Large Multi-Modal Model (LMMM), trained on a set of independent tasks spanning diverse domains, task types, and input modalities, can substantially improve the generalization of FSL models, outperforming models based on conventional meta-learning on tasks of the same type. To support this, we first constructed a Multi-Modal Model Few-shot Dataset (M3FD, over 10K+ few-shot samples), which includes 2D RGB images, 2D/3D medical scans, tabular and time-course datasets, from which we manually curated FSL tasks such as classification. We further introduced M3F (Multi-Modal Model for Few-shot learning framework), a novel Large Multi-Modal Model framework tailored for data-constrained scientific applications. M3F supports a wide range of scientific data types through a modular pipeline. By fine-tuning the model on M3FD, M3F improves model performance, making LMMM feasible for real-world FSL deployment. The source code is located at https://github.com/ptdang1001/M3F. To democratize access to complex FSL data and promote reproducibility for public usage, M3FD is paired with a flexible and user-friendly tool that enables efficient querying, task-specific sampling, and preprocessing. Together, our dataset and framework offer a unified, scalable solution that significantly lowers the barrier to applying LMMMs in data-scarce scientific domains.
Authors: Xuan Lin, Long Chen, Yile Wang
Abstract: Large Language Models (LLMs) have shown promise in assisting molecular property prediction tasks but often rely on human-crafted prompts and chain-of-thought templates. While recent advanced large reasoning models like DeepSeek-R1 employ reinforcement learning for an extended ``thinking'' process, their reasoning can be verbose and lack relevance. We introduce AttriLens-Mol, an attribute-guided reinforcement learning framework for molecular property prediction with LLMs. AttriLens-Mol steers the model's reasoning by using: (1) a format reward encouraging attribute-based structured output, (2) a count reward to avoid enumerating irrelevant attributes, and (3) a rationality reward using advanced LLMs and RDKit to verify the relatedness of the generated attributes. This approach implicitly elicits the model's inherent knowledge of relevant molecular attributes during reasoning, enables making predictions for the molecular property more effectively. Experiments on both in-distribution and out-of-distribution datasets show that, training both 7B-size R1-Distilled-Qwen2.5 and R1-Distilled-LLaMA3.1 models on 4,000 samples with our proposed AttriLens-Mol method significantly boosts the performance, getting comparable or better results than supervised fine-tuning models (Mol-Instructions, ChemDFM, etc.) and advanced models (GPT-3.5, GPT-4o, DeepSeek-V3, DeepSeek-R1, etc.). Further, our extracted attributes for the target property, when used as features for an interpretable decision tree model, yield superior performance compared to attributes generated by prompting LLMs. This shows that AttriLens-Mol effectively elicits more relevant and predictive molecular attributes, leading to enhanced interpretability and performance for property prediction. We release the code in https://github.com/szu-tera/AttriLens-Mol.
Authors: Chanjuan Liu (School of Computer Science and Technology, Dalian University of Technology, Dalian, China), Shengzhi Wang (Institute of Computing Technology, Guangzhou University, Guangzhou, China), Enqiang Zhu (Institute of Computing Technology, Guangzhou University, Guangzhou, China)
Abstract: In real-world applications, multimodal time series data often suffer from interference, especially in the textual modality. Existing methods for multimodal time series forecasting often neglect the inherent perturbations within textual data, where irrelevant, noisy, or ambiguous content can significantly degrade model performance, particularly when the noise exhibits varying intensity or stems from structural inconsistencies. To address this challenge, we propose PA-RNet (Perturbation-Aware Reasoning Network for Multimodal Time Series Forecasting), a robust multimodal forecasting framework. PA-RNet features a perturbation-aware projection module and a cross-modal attention mechanism to effectively separate noise from the textual embeddings while maintaining semantically meaningful representations, thereby enhancing the model's generalization ability. Theoretically, we establish the Lipschitz continuity of PA-RNet with respect to textual inputs and prove that the proposed perturbation module can reduce expected prediction error, offering strong guarantees of stability under noisy conditions. Furthermore, we introduce a textual perturbation pipeline that can be seamlessly incorporated into existing multimodal time series forecasting tasks, allowing for systematic evaluation of the model's robustness in the presence of varying levels of textual noise. Extensive experiments across diverse domains and temporal settings demonstrate that PA-RNet consistently outperforms state-of-the-art baselines.
Authors: Mehmet Emre Akbulut, Hazem Hesham Yousef Shalby, Fabrizio Pittorino, Manuel Roveri
Abstract: Mixed-precision quantization (MPQ) is crucial for deploying deep neural networks on resource-constrained devices, but finding the optimal bit-width for each layer represents a complex combinatorial optimization problem. Current state-of-the-art methods rely on computationally expensive search algorithms or local sensitivity heuristic proxies like the Hessian, which fail to capture the cascading global effects of quantization error. In this work, we argue that the quantization sensitivity of a layer should not be measured by its local properties, but by its impact on the information flow throughout the entire network. We introduce InfoQ, a novel framework for MPQ that is training-free in the bit-width search phase. InfoQ assesses layer sensitivity by quantizing each layer at different bit-widths and measuring, through a single forward pass, the resulting change in mutual information in the subsequent layers. This quantifies how much each layer quantization impacts the network information flow. The resulting scores are used to formulate bit-width allocation as an integer linear programming problem, which is solved efficiently to minimize total sensitivity under a given budget (e.g., model size or BitOps). Our retraining-free search phase provides a superior search-time/accuracy trade-off (using two orders of magnitude less data compared to state-of-the-art methods such as LIMPQ), while yielding up to a 1% accuracy improvement for MobileNetV2 and ResNet18 on ImageNet at high compression rates (14X and 10.66X).
Authors: Zhiyao Luo, Tingting Zhu
Abstract: Reinforcement learning (RL)-based dynamic treatment regimes (DTRs) hold promise for automating complex clinical decision-making, yet their practical deployment remains hindered by the intensive engineering required to inject clinical knowledge and ensure patient safety. Recent advancements in large language models (LLMs) suggest a complementary approach, where implicit prior knowledge and clinical heuristics are naturally embedded through linguistic prompts without requiring environment-specific training. In this study, we rigorously evaluate open-source LLMs as dynamic insulin dosing agents in an in silico Type 1 diabetes simulator, comparing their zero-shot inference performance against small neural network-based RL agents (SRAs) explicitly trained for the task. Our results indicate that carefully designed zero-shot prompts enable smaller LLMs (e.g., Qwen2.5-7B) to achieve comparable or superior clinical performance relative to extensively trained SRAs, particularly in stable patient cohorts. However, LLMs exhibit notable limitations, such as overly aggressive insulin dosing when prompted with chain-of-thought (CoT) reasoning, highlighting critical failure modes including arithmetic hallucination, temporal misinterpretation, and inconsistent clinical logic. Incorporating explicit reasoning about latent clinical states (e.g., meals) yielded minimal performance gains, underscoring the current model's limitations in capturing complex, hidden physiological dynamics solely through textual inference. Our findings advocate for cautious yet optimistic integration of LLMs into clinical workflows, emphasising the necessity of targeted prompt engineering, careful validation, and potentially hybrid approaches that combine linguistic reasoning with structured physiological modelling to achieve safe, robust, and clinically effective decision-support systems.
Authors: Lin Jiang, Dahai Yu, Rongchao Xu, Tian Tang, Guang Wang
Abstract: The increasing frequency of extreme weather events, such as hurricanes, highlights the urgent need for efficient and equitable power system restoration. Many electricity providers make restoration decisions primarily based on the volume of power restoration requests from each region. However, our data-driven analysis reveals significant disparities in request submission volume, as disadvantaged communities tend to submit fewer restoration requests. This disparity makes the current restoration solution inequitable, leaving these communities vulnerable to extended power outages. To address this, we aim to propose an equity-aware power restoration strategy that balances both restoration efficiency and equity across communities. However, achieving this goal is challenging for two reasons: the difficulty of predicting repair durations under dataset heteroscedasticity, and the tendency of reinforcement learning agents to favor low-uncertainty actions, which potentially undermine equity. To overcome these challenges, we design a predict-then-optimize framework called EPOPR with two key components: (1) Equity-Conformalized Quantile Regression for uncertainty-aware repair duration prediction, and (2) Spatial-Temporal Attentional RL that adapts to varying uncertainty levels across regions for equitable decision-making. Experimental results show that our EPOPR effectively reduces the average power outage duration by 3.60% and decreases inequity between different communities by 14.19% compared to state-of-the-art baselines.
Authors: Jaehyung Lim, Wonbin Kweon, Woojoo Kim, Junyoung Kim, Seongjin Choi, Dongha Kim, Hwanjo Yu
Abstract: The increasing emphasis on privacy in recommendation systems has led to the adoption of Federated Learning (FL) as a privacy-preserving solution, enabling collaborative training without sharing user data. While Federated Recommendation (FedRec) effectively protects privacy, existing methods struggle with non-stationary data streams, failing to maintain consistent recommendation quality over time. On the other hand, Continual Learning Recommendation (CLRec) methods address evolving user preferences but typically assume centralized data access, making them incompatible with FL constraints. To bridge this gap, we introduce Federated Continual Recommendation (FCRec), a novel task that integrates FedRec and CLRec, requiring models to learn from streaming data while preserving privacy. As a solution, we propose F3CRec, a framework designed to balance knowledge retention and adaptation under the strict constraints of FCRec. F3CRec introduces two key components: Adaptive Replay Memory on the client side, which selectively retains past preferences based on user-specific shifts, and Item-wise Temporal Mean on the server side, which integrates new knowledge while preserving prior information. Extensive experiments demonstrate that F3CRec outperforms existing approaches in maintaining recommendation quality over time in a federated environment.
Authors: Lin Jiang, Yu Yang, Guang Wang
Abstract: Order dispatch systems play a vital role in ride-hailing services, which directly influence operator revenue, driver profit, and passenger experience. Most existing work focuses on improving system efficiency in terms of operator revenue, which may cause a bad experience for both passengers and drivers. Hence, in this work, we aim to design a human-centered ride-hailing system by considering both passenger fairness and driver preference without compromising the overall system efficiency. However, it is nontrivial to achieve this target due to the potential conflicts between passenger fairness and driver preference since optimizing one may sacrifice the other. To address this challenge, we design HCRide, a Human-Centered Ride-hailing system based on a novel multi-agent reinforcement learning algorithm called Harmonization-oriented Actor-Bi-Critic (Habic), which includes three major components (i.e., a multi-agent competition mechanism, a dynamic Actor network, and a Bi-Critic network) to optimize system efficiency and passenger fairness with driver preference consideration. We extensively evaluate our HCRide using two real-world ride-hailing datasets from Shenzhen and New York City. Experimental results show our HCRide effectively improves system efficiency by 2.02%, fairness by 5.39%, and driver preference by 10.21% compared to state-of-the-art baselines.
Authors: Xiao Shou
Abstract: Modeling long horizon marked event sequences is a fundamental challenge in many real-world applications, including healthcare, finance, and user behavior modeling. Existing neural temporal point process models are typically autoregressive, predicting the next event one step at a time, which limits their efficiency and leads to error accumulation in long-range forecasting. In this work, we propose a unified flow matching framework for marked temporal point processes that enables non-autoregressive, joint modeling of inter-event times and event types, via continuous and discrete flow matching. By learning continuous-time flows for both components, our method generates coherent long horizon event trajectories without sequential decoding. We evaluate our model on six real-world benchmarks and demonstrate significant improvements over autoregressive and diffusion-based baselines in both accuracy and generation efficiency.
Authors: Robert Frenken, Sidra Ghayour Bhatti, Hanqin Zhang, Qadeer Ahmed
Abstract: The Controller Area Network (CAN) protocol is a standard for in-vehicle communication but remains susceptible to cyber-attacks due to its lack of built-in security. This paper presents a multi-stage intrusion detection framework leveraging unsupervised anomaly detection and supervised graph learning tailored for automotive CAN traffic. Our architecture combines a Variational Graph Autoencoder (VGAE) for structural anomaly detection with a Knowledge-Distilled Graph Attention Network (KD-GAT) for robust attack classification. CAN bus activity is encoded as graph sequences to model temporal and relational dependencies. The pipeline applies VGAE-based selective undersampling to address class imbalance, followed by GAT classification with optional score-level fusion. The compact student GAT achieves 96% parameter reduction compared to the teacher model while maintaining strong predictive performance. Experiments on six public CAN intrusion datasets--Car-Hacking, Car-Survival, and can-train-and-test--demonstrate competitive accuracy and efficiency, with average improvements of 16.2% in F1-score over existing methods, particularly excelling on highly imbalanced datasets with up to 55% F1-score improvements.
Authors: Haoyu Zhang, Shihao Zhang, Ian Colbert, Rayan Saab
Abstract: Post-training quantization (PTQ) has become a crucial tool for reducing the memory and compute costs of modern deep neural networks, including large language models (LLMs). Among PTQ algorithms, the OPTQ framework-also known as GPTQ-has emerged as a leading method due to its computational efficiency and strong empirical performance. Despite its widespread adoption, however, OPTQ lacks rigorous quantitative theoretical guarantees. This paper presents the first quantitative error bounds for both deterministic and stochastic variants of OPTQ, as well as for Qronos, a recent related state-of-the-art PTQ algorithm. We analyze how OPTQ's iterative procedure induces quantization error and derive non-asymptotic 2-norm error bounds that depend explicitly on the calibration data and a regularization parameter that OPTQ uses. Our analysis provides theoretical justification for several practical design choices, including the widely used heuristic of ordering features by decreasing norm, as well as guidance for selecting the regularization parameter. For the stochastic variant, we establish stronger infinity-norm error bounds, which enable control over the required quantization alphabet and are particularly useful for downstream layers and nonlinearities. Finally, we extend our analysis to Qronos, providing new theoretical bounds, for both its deterministic and stochastic variants, that help explain its empirical advantages.
Authors: Aleksander Boruch-Gruszecki, Yangtian Zi, Zixuan Wu, Tejas Oberoi, Carolyn Jane Anderson, Joydeep Biswas, Arjun Guha
Abstract: Large language models (LLMs) already excel at writing code in high-resource languages such as Python and JavaScript, yet stumble on low-resource languages that remain essential to science and engineering. Besides the obvious shortage of pre-training data, post-training itself is a bottleneck: every new language seems to require new datasets, test harnesses, and reinforcement-learning (RL) infrastructure. We introduce Agnostics, a language-agnostic post-training pipeline that eliminates this per-language engineering. The key idea is to judge code solely by its externally observable behavior, so a single verifier can test solutions written in any language. Concretely, we (i) use an LLM to rewrite existing unit-test datasets into an I/O format, (ii) supply a short configuration that tells the verifier how to compile and run a target language, and (iii) apply reinforcement learning with verifiable rewards (RLVR) in a robust code execution environment. Applied to five low-resource languages--Lua, Julia, R, OCaml, and Fortran--Agnostics (1) improves Qwen-3 4B to performance that rivals other 16B-70B open-weight models; (2) scales cleanly to larger and diverse model families (Qwen-3 8B, DeepSeek Coder 6.7B Instruct, Phi 4 Mini); and (3) for ${\le} 16$B parameter models, sets new state-of-the-art pass@1 results on MultiPL-E and a new multi-language version LiveCodeBench that we introduce. We will release the language-agnostic training datasets (Ag-MBPP-X, Ag-Codeforces-X, Ag-LiveCodeBench-X), training code, and ready-to-use configurations, making RL post-training in any programming language as simple as editing a short YAML file.
Authors: Saman Pordanesh, Pejman Shahsavari, Hossein Ghadjari
Abstract: Neural operators have emerged as a powerful, data-driven paradigm for learning solution operators of partial differential equations (PDEs). State-of-the-art architectures, such as the Fourier Neural Operator (FNO), have achieved remarkable success by performing convolutions in the frequency domain, making them highly effective for a wide range of problems. However, this method has some limitations, including the periodicity assumption of the Fourier transform. In addition, there are other methods of analysing a signal, beyond phase and amplitude perspective, and provide us with other useful information to learn an effective network. We introduce the \textbf{Hilbert Neural Operator (HNO)}, a new neural operator architecture to address some advantages by incorporating a strong inductive bias from signal processing. HNO operates by first mapping the input signal to its analytic representation via the Hilbert transform, thereby making instantaneous amplitude and phase information explicit features for the learning process. The core learnable operation -- a spectral convolution -- is then applied to this Hilbert-transformed representation. We hypothesize that this architecture enables HNO to model operators more effectively for causal, phase-sensitive, and non-stationary systems. We formalize the HNO architecture and provide the theoretical motivation for its design, rooted in analytic signal theory.
Authors: Sinho Chewi, Philippe Rigollet, Yuling Yan
Abstract: The mean-field theory for two-layer neural networks considers infinitely wide networks that are linearly parameterized by a probability measure over the parameter space. This nonparametric perspective has significantly advanced both the theoretical and conceptual understanding of neural networks, with substantial efforts made to validate its applicability to networks of moderate width. In this work, we explore the opposite direction, investigating whether dynamics can be directly implemented over probability measures. Specifically, we employ Gaussian mixture models as a flexible and expressive parametric family of distributions together with the theory of Wasserstein gradient flows to derive training dynamics for such measures. Our approach introduces a new type of layer -- the Gaussian mixture (GM) layer -- that can be integrated into neural network architectures. As a proof of concept, we validate our proposal through experiments on simple classification tasks, where a GM layer achieves test performance comparable to that of a two-layer fully connected network. Furthermore, we examine the behavior of these dynamics and demonstrate numerically that GM layers exhibit markedly different behavior compared to classical fully connected layers, even when the latter are large enough to be considered in the mean-field regime.
Authors: Kelsey Doerksen, Yuliya Marchetti, Steven Lu, Kevin Bowman, James Montgomery, Kazuyuki Miyazaki, Yarin Gal, Freddie Kalaitzis
Abstract: Air pollution is a global hazard, and as of 2023, 94\% of the world's population is exposed to unsafe pollution levels. Surface Ozone (O3), an important pollutant, and the drivers of its trends are difficult to model, and traditional physics-based models fall short in their practical use for scales relevant to human-health impacts. Deep Learning-based emulators have shown promise in capturing complex climate patterns, but overall lack the interpretability necessary to support critical decision making for policy changes and public health measures. We implement an uncertainty-aware U-Net architecture to predict the Multi-mOdel Multi-cOnstituent Chemical data assimilation (MOMO-Chem) model's surface ozone residuals (bias) using Bayesian and quantile regression methods. We demonstrate the capability of our techniques in regional estimation of bias in North America and Europe for June 2019. We highlight the uncertainty quantification (UQ) scores between our two UQ methodologies and discern which ground stations are optimal and sub-optimal candidates for MOMO-Chem bias correction, and evaluate the impact of land-use information in surface ozone residual modeling.
Authors: Kelsey Doerksen, Yuliya Marchetti, Kevin Bowman, Steven Lu, James Montgomery, Yarin Gal, Freddie Kalaitzis, Kazuyuki Miyazaki
Abstract: Air pollution is the world's largest environmental risk factor for human disease and premature death, resulting in more than 6 million permature deaths in 2019. Currently, there is still a challenge to model one of the most important air pollutants, surface ozone, particularly at scales relevant for human health impacts, with the drivers of global ozone trends at these scales largely unknown, limiting the practical use of physics-based models. We employ a 2D Convolutional Neural Network based architecture that estimate surface ozone MOMO-Chem model residuals, referred to as model bias. We demonstrate the potential of this technique in North America and Europe, highlighting its ability better to capture physical model residuals compared to a traditional machine learning method. We assess the impact of incorporating land use information from high-resolution satellite imagery to improve model estimates. Importantly, we discuss how our results can improve our scientific understanding of the factors impacting ozone bias at urban scales that can be used to improve environmental policy.
Authors: Rahuul Rangaraj, Jimeng Shi, Rajendra Paudel, Giri Narasimhan, Yanzhao Wu
Abstract: Accurate water level forecasting is crucial for managing ecosystems such as the Everglades, a subtropical wetland vital for flood mitigation, drought management, water resource planning, and biodiversity conservation. While recent advances in deep learning, particularly time series foundation models, have demonstrated success in general-domain forecasting, their application in hydrology remains underexplored. Furthermore, they often struggle to generalize across diverse unseen datasets and domains, due to the lack of effective mechanisms for adaptation. To address this gap, we introduce Retrieval-Augmented Forecasting (RAF) into the hydrology domain, proposing a framework that retrieves historically analogous multivariate hydrological episodes to enrich the model input before forecasting. By maintaining an external archive of past observations, RAF identifies and incorporates relevant patterns from historical data, thereby enhancing contextual awareness and predictive accuracy without requiring the model for task-specific retraining or fine-tuning. Furthermore, we explore and compare both similarity-based and mutual information-based RAF methods. We conduct a comprehensive evaluation on real-world data from the Everglades, demonstrating that the RAF framework yields substantial improvements in water level forecasting accuracy. This study highlights the potential of RAF approaches in environmental hydrology and paves the way for broader adoption of adaptive AI methods by domain experts in ecosystem management. The code and data are available at https://github.com/rahuul2992000/WaterRAF.
Authors: Jovana Kljajic, John M. O'Toole, Robert Hogan, Tamara Skoric
Abstract: Reliable evaluation of machine learning models for neonatal seizure detection is critical for clinical adoption. Current practices often rely on inconsistent and biased metrics, hindering model comparability and interpretability. Expert-level claims about AI performance are frequently made without rigorous validation, raising concerns about their reliability. This study aims to systematically evaluate common performance metrics and propose best practices tailored to the specific challenges of neonatal seizure detection. Using real and synthetic seizure annotations, we assessed standard performance metrics, consensus strategies, and human-expert level equivalence tests under varying class imbalance, inter-rater agreement, and number of raters. Matthews and Pearson's correlation coefficients outperformed the area under the curve in reflecting performance under class imbalance. Consensus types are sensitive to the number of raters and agreement level among them. Among human-expert level equivalence tests, the multi-rater Turing test using Fleiss k best captured expert-level AI performance. We recommend reporting: (1) at least one balanced metric, (2) Sensitivity, specificity, PPV and NPV, (3) Multi-rater Turing test results using Fleiss k, and (4) All the above on held-out validation set. This proposed framework provides an important prerequisite to clinical validation by enabling a thorough and honest appraisal of AI methods for neonatal seizure detection.
Authors: Prabhav Singh, Jessica Sorrell
Abstract: The widespread adoption of transfer learning has revolutionized machine learning by enabling efficient adaptation of pre-trained models to new domains. However, the reliability of these adaptations remains poorly understood, particularly when using adaptive data selection strategies that dynamically prioritize training examples. We present a comprehensive theoretical and empirical analysis of replicability in transfer learning, introducing a mathematical framework that quantifies the fundamental trade-off between adaptation effectiveness and result consistency. Our key contribution is the formalization of selection sensitivity ($\Delta_Q$), a measure that captures how adaptive selection strategies respond to perturbations in training data. We prove that replicability failure probability: the likelihood that two independent training runs produce models differing in performance by more than a threshold, increases quadratically with selection sensitivity while decreasing exponentially with sample size. Through extensive experiments on the MultiNLI corpus using six adaptive selection strategies - ranging from uniform sampling to gradient-based selection - we demonstrate that this theoretical relationship holds precisely in practice. Our results reveal that highly adaptive strategies like gradient-based and curriculum learning achieve superior task performance but suffer from high replicability failure rates, while less adaptive approaches maintain failure rates below 7%. Crucially, we show that source domain pretraining provides a powerful mitigation mechanism, reducing failure rates by up to 30% while preserving performance gains. These findings establish principled guidelines for practitioners to navigate the performance-replicability trade-off and highlight the need for replicability-aware design in modern transfer learning systems.
Authors: Santosh Chapagain, Shah Muhammad Hamdi, Soukaina Filali Boubrahimi
Abstract: Hate speech is a widespread and harmful form of online discourse, encompassing slurs and defamatory posts that can have serious social, psychological, and sometimes physical impacts on targeted individuals and communities. As social media platforms such as X (formerly Twitter), Facebook, Instagram, Reddit, and others continue to facilitate widespread communication, they also become breeding grounds for hate speech, which has increasingly been linked to real-world hate crimes. Addressing this issue requires the development of robust automated methods to detect hate speech in diverse social media environments. Deep learning approaches, such as vanilla recurrent neural networks (RNNs), long short-term memory (LSTM), and convolutional neural networks (CNNs), have achieved good results, but are often limited by issues such as long-term dependencies and inefficient parallelization. This study represents the comprehensive exploration of transformer-based models for hate speech detection using the MetaHate dataset--a meta-collection of 36 datasets with 1.2 million social media samples. We evaluate multiple state-of-the-art transformer models, including BERT, RoBERTa, GPT-2, and ELECTRA, with fine-tuned ELECTRA achieving the highest performance (F1 score: 0.8980). We also analyze classification errors, revealing challenges with sarcasm, coded language, and label noise.
Authors: Chenkai Wu, Yuanyuan Qi, Xiaohao Yang, Jueqing Lu, Gang Liu, Wray Buntine, Lan Du
Abstract: Deep Active Learning (DAL) reduces annotation costs by selecting the most informative unlabeled samples during training. As real-world applications become more complex, challenges stemming from distribution shifts (e.g., open-set recognition) and data imbalance have gained increasing attention, prompting the development of numerous DAL algorithms. However, the lack of a unified platform has hindered fair and systematic evaluation under diverse conditions. Therefore, we present a new DAL platform ALScope for classification tasks, integrating 10 datasets from computer vision (CV) and natural language processing (NLP), and 21 representative DAL algorithms, including both classical baselines and recent approaches designed to handle challenges such as distribution shifts and data imbalance. This platform supports flexible configuration of key experimental factors, ranging from algorithm and dataset choices to task-specific factors like out-of-distribution (OOD) sample ratio, and class imbalance ratio, enabling comprehensive and realistic evaluation. We conduct extensive experiments on this platform under various settings. Our findings show that: (1) DAL algorithms' performance varies significantly across domains and task settings; (2) in non-standard scenarios such as imbalanced and open-set settings, DAL algorithms show room for improvement and require further investigation; and (3) some algorithms achieve good performance, but require significantly longer selection time.
Authors: Nameer Hirschkind, Joseph Liu, Mahesh Kumar Nandwana, Xiao Yu
Abstract: Simultaneous Speech Translation (SimulST) systems stream in audio while simultaneously emitting translated text or speech. Such systems face the significant challenge of balancing translation quality and latency. We introduce a strategy to optimize this tradeoff: wait for more input only if you gain information by doing so. Based on this strategy, we present Regularized Entropy INformation Adaptation (REINA), a novel loss to train an adaptive policy using an existing non-streaming translation model. We derive REINA from information theory principles and show that REINA helps push the reported Pareto frontier of the latency/quality tradeoff over prior works. Utilizing REINA, we train a SimulST model on French, Spanish and German, both from and into English. Training on only open source or synthetically generated data, we achieve state-of-the-art (SOTA) streaming results for models of comparable size. We also introduce a metric for streaming efficiency, quantitatively showing REINA improves the latency/quality trade-off by as much as 21% compared to prior approaches, normalized against non-streaming baseline BLEU scores.
Authors: Rui Zou
Abstract: Ensemble learning boosts performance by aggregating predictions from multiple base learners. A core challenge is balancing individual learner accuracy with diversity. Traditional methods like Bagging and Boosting promote diversity through randomness but lack precise control over the accuracy-diversity trade-off. Negative Correlation Learning (NCL) introduces a penalty to manage this trade-off but suffers from loose theoretical bounds and limited adjustment range. To overcome these limitations, we propose a novel framework called Self-Error Adjustment (SEA), which decomposes ensemble errors into two distinct components: individual performance terms, representing the self-error of each base learner, and diversity terms, reflecting interactions among learners. This decomposition allows us to introduce an adjustable parameter into the loss function, offering precise control over the contribution of each component, thus enabling finer regulation of ensemble performance. Compared to NCL and its variants, SEA provides a broader range of effective adjustments and more consistent changes in diversity. Furthermore, we establish tighter theoretical bounds for adjustable ensemble methods and validate them through empirical experiments. Experimental results on several public regression and classification datasets demonstrate that SEA consistently outperforms baseline methods across all tasks. Ablation studies confirm that SEA offers more flexible adjustment capabilities and superior performance in fine-tuning strategies.
Authors: Wei Liu, Anweshit Panda, Ujwal Pandey, Christopher Brissette, Yikang Shen, George M. Slota, Naigang Wang, Jie Chen, Yangyang Xu
Abstract: In this paper, we design two compressed decentralized algorithms for solving nonconvex stochastic optimization under two different scenarios. Both algorithms adopt a momentum technique to achieve fast convergence and a message-compression technique to save communication costs. Though momentum acceleration and compressed communication have been used in literature, it is highly nontrivial to theoretically prove the effectiveness of their composition in a decentralized algorithm that can maintain the benefits of both sides, because of the need to simultaneously control the consensus error, the compression error, and the bias from the momentum gradient. For the scenario where gradients are bounded, our proposal is a compressed decentralized adaptive method. To the best of our knowledge, this is the first decentralized adaptive stochastic gradient method with compressed communication. For the scenario of data heterogeneity without bounded gradients, our proposal is a compressed decentralized heavy-ball method, which applies a gradient tracking technique to address the challenge of data heterogeneity. Notably, both methods achieve an optimal convergence rate, and they can achieve linear speed up and adopt topology-independent algorithmic parameters within a certain regime of the user-specified error tolerance. Superior empirical performance is observed over state-of-the-art methods on training deep neural networks (DNNs) and Transformers.
Authors: Matthew Chen, Micky Nnamdi, Justin Shao, Andrew Hornback, Hongyun Huang, Ben Tamo, Yishan Zhong, Benoit Marteau, Wenqi Shi, May Dongmei Wang
Abstract: Foundation models for electroencephalography (EEG) signals have recently demonstrated success in learning generalized representations of EEGs, outperforming specialized models in various downstream tasks. However, many of these models lack transparency in their pretraining dynamics and offer limited insight into how well EEG information is preserved within their embeddings. For successful clinical integration, EEG foundation models must ensure transparency in pretraining, downstream fine-tuning, and the interpretability of learned representations. Current approaches primarily operate in the temporal domain, overlooking advancements in digital signal processing that enable the extraction of deterministic and traceable features, such as wavelet-based representations. We propose MENDR (Manifold Explainable Neural Data Representations), a filter bank-based EEG foundation model built on a novel Riemannian Manifold Transformer architecture to resolve these issues. MENDR learns symmetric positive definite matrix embeddings of EEG signals and is pretrained on a large corpus comprising over 4,000 hours of EEG data, decomposed via discrete wavelet packet transforms into multi-resolution coefficients. MENDR significantly enhances interpretability by visualizing symmetric positive definite embeddings as geometric ellipsoids and supports accurate reconstruction of EEG signals from learned embeddings. Evaluations across multiple clinical EEG tasks demonstrate that MENDR achieves near state-of-the-art performance with substantially fewer parameters, underscoring its potential for efficient, interpretable, and clinically applicable EEG analysis.
Authors: Kumar Anurag, Kasra Azizi, Francesco Sorrentino, Wenbin Wan
Abstract: Accurate modeling is crucial in many engineering and scientific applications, yet obtaining a reliable process model for complex systems is often challenging. To address this challenge, we propose a novel framework, reservoir computing with unscented Kalman filtering (RCUKF), which integrates data-driven modeling via reservoir computing (RC) with Bayesian estimation through the unscented Kalman filter (UKF). The RC component learns the nonlinear system dynamics directly from data, serving as a surrogate process model in the UKF prediction step to generate state estimates in high-dimensional or chaotic regimes where nominal mathematical models may fail. Meanwhile, the UKF measurement update integrates real-time sensor data to correct potential drift in the data-driven model. We demonstrate RCUKF effectiveness on well-known benchmark problems and a real-time vehicle trajectory estimation task in a high-fidelity simulation environment.
Authors: Menghua Jiang, Yuxia Lin, Baoliang Chen, Haifeng Hu, Yuncheng Jiang, Sijie Mai
Abstract: Multimodal sentiment analysis (MSA) aims to understand human emotions by integrating information from multiple modalities, such as text, audio, and visual data. However, existing methods often suffer from spurious correlations both within and across modalities, leading models to rely on statistical shortcuts rather than true causal relationships, thereby undermining generalization. To mitigate this issue, we propose a Multi-relational Multimodal Causal Intervention (MMCI) model, which leverages the backdoor adjustment from causal theory to address the confounding effects of such shortcuts. Specifically, we first model the multimodal inputs as a multi-relational graph to explicitly capture intra- and inter-modal dependencies. Then, we apply an attention mechanism to separately estimate and disentangle the causal features and shortcut features corresponding to these intra- and inter-modal relations. Finally, by applying the backdoor adjustment, we stratify the shortcut features and dynamically combine them with the causal features to encourage MMCI to produce stable predictions under distribution shifts. Extensive experiments on several standard MSA datasets and out-of-distribution (OOD) test sets demonstrate that our method effectively suppresses biases and improves performance.
Authors: Chengsong Huang, Wenhao Yu, Xiaoyang Wang, Hongming Zhang, Zongxia Li, Ruosen Li, Jiaxin Huang, Haitao Mi, Dong Yu
Abstract: Self-evolving Large Language Models (LLMs) offer a scalable path toward super-intelligence by autonomously generating, refining, and learning from their own experiences. However, existing methods for training such models still rely heavily on vast human-curated tasks and labels, typically via fine-tuning or reinforcement learning, which poses a fundamental bottleneck to advancing AI systems toward capabilities beyond human intelligence. To overcome this limitation, we introduce R-Zero, a fully autonomous framework that generates its own training data from scratch. Starting from a single base LLM, R-Zero initializes two independent models with distinct roles, a Challenger and a Solver. These models are optimized separately and co-evolve through interaction: the Challenger is rewarded for proposing tasks near the edge of the Solver capability, and the Solver is rewarded for solving increasingly challenging tasks posed by the Challenger. This process yields a targeted, self-improving curriculum without any pre-existing tasks and labels. Empirically, R-Zero substantially improves reasoning capability across different backbone LLMs, e.g., boosting the Qwen3-4B-Base by +6.49 on math-reasoning benchmarks and +7.54 on general-domain reasoning benchmarks.
Authors: Dai Do, Manh Nguyen, Svetha Venkatesh, Hung Le
Abstract: Large language models (LLMs) have shown strong reasoning capabilities when fine-tuned with reinforcement learning (RL). However, such methods require extensive data and compute, making them impractical for smaller models. Current approaches to curriculum learning or data selection are largely heuristic-driven or demand extensive computational resources, limiting their scalability and generalizability. We propose \textbf{SPaRFT}, a self-paced learning framework that enables efficient learning based on the capability of the model being trained through optimizing which data to use and when. First, we apply \emph{cluster-based data reduction} to partition training data by semantics and difficulty, extracting a compact yet diverse subset that reduces redundancy. Then, a \emph{multi-armed bandit} treats data clusters as arms, optimized to allocate training samples based on model current performance. Experiments across multiple reasoning benchmarks show that SPaRFT achieves comparable or better accuracy than state-of-the-art baselines while using up to \(100\times\) fewer samples. Ablation studies and analyses further highlight the importance of both data clustering and adaptive selection. Our results demonstrate that carefully curated, performance-driven training curricula can unlock strong reasoning abilities in LLMs with minimal resources.
Authors: Zhehan Qu, Tianyi Hu, Christian Fronk, Maria Gorlatova
Abstract: Augmented Reality (AR) systems, while enhancing task performance through real-time guidance, pose risks of inducing cognitive tunneling-a hyperfocus on virtual content that compromises situational awareness (SA) in safety-critical scenarios. This paper investigates SA in AR-guided cardiopulmonary resuscitation (CPR), where responders must balance effective compressions with vigilance to unpredictable hazards (e.g., patient vomiting). We developed an AR app on a Magic Leap 2 that overlays real-time CPR feedback (compression depth and rate) and conducted a user study with simulated unexpected incidents (e.g., bleeding) to evaluate SA, in which SA metrics were collected via observation and questionnaires administered during freeze-probe events. Eye tracking analysis revealed that higher SA levels were associated with greater saccadic amplitude and velocity, and with reduced proportion and frequency of fixations on virtual content. To predict SA, we propose FixGraphPool, a graph neural network that structures gaze events (fixations, saccades) into spatiotemporal graphs, effectively capturing dynamic attentional patterns. Our model achieved 83.0% accuracy (F1=81.0%), outperforming feature-based machine learning and state-of-the-art time-series models by leveraging domain knowledge and spatial-temporal information encoded in ET data. These findings demonstrate the potential of eye tracking for SA modeling in AR and highlight its utility in designing AR systems that ensure user safety and situational awareness.
Authors: Jinhyeok Jang, Jaehong Kim, Jung Uk Kim
Abstract: Pre-trained weights have become a cornerstone of modern deep learning, enabling efficient knowledge transfer and improving downstream task performance, especially in data-scarce scenarios. However, a fundamental question remains: how can we obtain better pre-trained weights that encapsulate more knowledge beyond the given dataset? In this work, we introduce \textbf{KNowledge Overflowed Weights (KNOW)} prediction, a novel strategy that leverages structured forgetting and its inversion to synthesize knowledge-enriched weights. Our key insight is that sequential fine-tuning on progressively downsized datasets induces a structured forgetting process, which can be modeled and reversed to recover knowledge as if trained on a larger dataset. We construct a dataset of weight transitions governed by this controlled forgetting and employ meta-learning to model weight prediction effectively. Specifically, our \textbf{KNowledge Overflowed Weights Nowcaster (KNOWN)} acts as a hyper-model that learns the general evolution of weights and predicts enhanced weights with improved generalization. Extensive experiments across diverse datasets and architectures demonstrate that KNOW prediction consistently outperforms Na\"ive fine-tuning and simple weight prediction, leading to superior downstream performance. Our work provides a new perspective on reinterpreting forgetting dynamics to push the limits of knowledge transfer in deep learning.
Authors: Moshe Eliasof, Eldad Haber, Carola-Bibiane Sch\"onlieb
Abstract: We introduce TANGO -- a dynamical systems inspired framework for graph representation learning that governs node feature evolution through a learned energy landscape and its associated descent dynamics. At the core of our approach is a learnable Lyapunov function over node embeddings, whose gradient defines an energy-reducing direction that guarantees convergence and stability. To enhance flexibility while preserving the benefits of energy-based dynamics, we incorporate a novel tangential component, learned via message passing, that evolves features while maintaining the energy value. This decomposition into orthogonal flows of energy gradient descent and tangential evolution yields a flexible form of graph dynamics, and enables effective signal propagation even in flat or ill-conditioned energy regions, that often appear in graph learning. Our method mitigates oversquashing and is compatible with different graph neural network backbones. Empirically, TANGO achieves strong performance across a diverse set of node and graph classification and regression benchmarks, demonstrating the effectiveness of jointly learned energy functions and tangential flows for graph neural networks.
Authors: Simin Huo
Abstract: We propose \textbf{ULU}, a novel non-monotonic, piecewise activation function defined as $\{f(x;\alpha_1),x<0; f(x;\alpha_2),x>=0 \}$, where $f(x;\alpha)=0.5x(tanh(\alpha x)+1),\alpha >0$. ULU treats positive and negative inputs differently. Extensive experiments demonstrate ULU significantly outperforms ReLU and Mish across image classification and object detection tasks. Its variant Adaptive ULU (\textbf{AULU}) is expressed as $\{f(x;\beta_1^2),x<0; f(x;\beta_2^2),x>=0 \}$, where $\beta_1$ and $\beta_2$ are learnable parameters, enabling it to adapt its response separately for positive and negative inputs. Additionally, we introduce the LIB (Like Inductive Bias) metric from AULU to quantitatively measure the inductive bias of the model.
Authors: Luai Abuelsamen, Temitope Lukman Adebanjo
Abstract: This paper examines the theoretical foundations of multimodal imitation learning through the lens of statistical learning theory. We analyze how multimodal perception (RGB-D, proprioception, language) affects sample complexity and optimization landscapes in imitation policies. Building on recent advances in multimodal learning theory, we show that properly integrated multimodal policies can achieve tighter generalization bounds and more favorable optimization landscapes than their unimodal counterparts. We provide a comprehensive review of theoretical frameworks that explain why multimodal architectures like PerAct and CLIPort achieve superior performance, connecting these empirical results to fundamental concepts in Rademacher complexity, PAC learning, and information theory.
Authors: Linxiao Yang, Xinyu Gu, Liang Sun
Abstract: As an effective approach to quantify how training samples influence test sample, data attribution is crucial for understanding data and model and further enhance the transparency of machine learning models. We find that prevailing data attribution methods based on leave-one-out (LOO) strategy suffer from the local-based explanation, as these LOO-based methods only perturb a single training sample, and overlook the collective influence in the training set. On the other hand, the lack of baseline in many data attribution methods reduces the flexibility of the explanation, e.g., failing to provide counterfactual explanations. In this paper, we propose Integrated Influence, a novel data attribution method that incorporates a baseline approach. Our method defines a baseline dataset, follows a data degeneration process to transition the current dataset to the baseline, and accumulates the influence of each sample throughout this process. We provide a solid theoretical framework for our method, and further demonstrate that popular methods, such as influence functions, can be viewed as special cases of our approach. Experimental results show that Integrated Influence generates more reliable data attributions compared to existing methods in both data attribution task and mislablled example identification task.
Authors: Mojtaba Fayaz-Bakhsh, Danial Ataee, MohammadAmin Fazli
Abstract: Active preference learning is a powerful paradigm for efficiently modeling preferences, yet it suffers from the cold-start problem: a significant drop in performance when no initial labeled data is available. This challenge is particularly acute in computational social systems and economic analysis, where labeled data is often scarce, expensive, and subject to expert noise. To address this gap, we propose a novel framework for cold-start active preference learning. Our method initiates the learning process through a self-supervised pre-training phase, utilizing Principal Component Analysis (PCA) to derive initial pseudo-labels from the data's inherent structure, thereby creating a cold-start model without any initial oracle interaction. Subsequently, the model is refined through an active learning loop that strategically queries a simulated noisy oracle for labels. We conduct extensive experiments on diverse datasets from different domains, including financial credibility, career success rate, and socio-economic status. The results demonstrate that our cold-start approach outperforms standard active learning strategies that begin from a blank slate, achieving higher accuracy with substantially fewer labeled pairs. Our framework offers a practical and effective solution to mitigate the cold-start problem, enhancing the sample efficiency and applicability of preference learning in data-constrained environments. We release our code at https://github.com/Dan-A2/cold-start-preference-learning
URLs: https://github.com/Dan-A2/cold-start-preference-learning
Authors: Tomoya Tate, Kosuke Sugiyama, Masato Uchida
Abstract: In practical machine learning applications, it is often challenging to assign accurate labels to data, and increasing the number of labeled instances is often limited. In such cases, Weakly Supervised Learning (WSL), which enables training with incomplete or imprecise supervision, provides a practical and effective solution. However, most existing WSL methods focus on leveraging a single type of weak supervision. In this paper, we propose a novel WSL framework that leverages complementary weak supervision signals from multiple relational perspectives, which can be especially valuable when labeled data is limited. Specifically, we introduce SconfConfDiff Classification, a method that integrates two distinct forms of weaklabels: similarity-confidence and confidence-difference, which are assigned to unlabeled data pairs. To implement this method, we derive two types of unbiased risk estimators for classification: one based on a convex combination of existing estimators, and another newly designed by modeling the interaction between two weak labels. We prove that both estimators achieve optimal convergence rates with respect to estimation error bounds. Furthermore, we introduce a risk correction approach to mitigate overfitting caused by negative empirical risk, and provide theoretical analysis on the robustness of the proposed method against inaccurate class prior probability and label noise. Experimental results demonstrate that the proposed method consistently outperforms existing baselines across a variety of settings.
Authors: Bingguang Hao, Maolin Wang, Zengzhuang Xu, Yicheng Chen, Cunyin Peng, Jinjie GU, Chenyi Zhuang
Abstract: Function calling capabilities are crucial for deploying Large Language Models in real-world applications, yet current training approaches fail to develop robust reasoning strategies. Supervised fine-tuning produces models that rely on superficial pattern matching, while standard reinforcement learning methods struggle with the complex action space of structured function calls. We present a novel reinforcement learning framework designed to enhance group relative policy optimization through strategic entropy based exploration specifically tailored for function calling tasks. Our approach addresses three critical challenges in function calling: insufficient exploration during policy learning, lack of structured reasoning in chain-of-thought generation, and inadequate verification of parameter extraction. Our two-stage data preparation pipeline ensures high-quality training samples through iterative LLM evaluation and abstract syntax tree validation. Extensive experiments on the Berkeley Function Calling Leaderboard demonstrate that this framework achieves state-of-the-art performance among open-source models with 86.02\% overall accuracy, outperforming standard GRPO by up to 6\% on complex multi-function scenarios. Notably, our method shows particularly strong improvements on code-pretrained models, suggesting that structured language generation capabilities provide an advantageous starting point for reinforcement learning in function calling tasks. We will release all the code, models and dataset to benefit the community.
Authors: Thinh Nguyen, Trung Phan, Binh T. Nguyen, Khoa D Doan, Kok-Seng Wong
Abstract: Federated Learning (FL) is a decentralized approach where multiple clients collaboratively train a shared global model without sharing their raw data. Despite its effectiveness, conventional FL faces scalability challenges due to excessive computational and communication demands placed on a single central server as the number of participating devices grows. Hierarchical Federated Learning (HFL) addresses these issues by distributing model aggregation tasks across intermediate nodes (stations), thereby enhancing system scalability and robustness against single points of failure. However, HFL still suffers from a critical yet often overlooked limitation: domain shift, where data distributions vary significantly across different clients and stations, reducing model performance on unseen target domains. While Federated Domain Generalization (FedDG) methods have emerged to improve robustness to domain shifts, their integration into HFL frameworks remains largely unexplored. In this paper, we formally introduce Hierarchical Federated Domain Generalization (HFedDG), a novel scenario designed to investigate domain shift within hierarchical architectures. Specifically, we propose HFedATM, a hierarchical aggregation method that first aligns the convolutional filters of models from different stations through Filter-wise Optimal Transport Alignment and subsequently merges aligned models using a Shrinkage-aware Regularized Mean Aggregation. Our extensive experimental evaluations demonstrate that HFedATM significantly boosts the performance of existing FedDG baselines across multiple datasets and maintains computational and communication efficiency. Moreover, theoretical analyses indicate that HFedATM achieves tighter generalization error bounds compared to standard hierarchical averaging, resulting in faster convergence and stable training behavior.
Authors: Yahong Yang, Juncai He
Abstract: This paper establishes a comprehensive approximation result for deep fully-connected neural networks with commonly-used and general activation functions in Sobolev spaces $W^{n,\infty}$, with errors measured in the $W^{m,p}$-norm for $m < n$ and $1\le p \le \infty$. The derived rates surpass those of classical numerical approximation techniques, such as finite element and spectral methods, exhibiting a phenomenon we refer to as \emph{super-convergence}. Our analysis shows that deep networks with general activations can approximate weak solutions of partial differential equations (PDEs) with superior accuracy compared to traditional numerical methods at the approximation level. Furthermore, this work closes a significant gap in the error-estimation theory for neural-network-based approaches to PDEs, offering a unified theoretical foundation for their use in scientific computing.
Authors: Beicheng Xu, Wei Liu, Keyao Ding, Yupeng Lu, Bin Cui
Abstract: The Combined Algorithm Selection and Hyperparameter Optimization (CASH) problem is fundamental in Automated Machine Learning (AutoML). Inspired by the success of ensemble learning, recent AutoML systems construct post-hoc ensembles for final predictions rather than relying on the best single model. However, while most CASH methods conduct extensive searches for the optimal single model, they typically employ fixed strategies during the ensemble phase that fail to adapt to specific task characteristics. To tackle this issue, we propose PSEO, a framework for post-hoc stacking ensemble optimization. First, we conduct base model selection through binary quadratic programming, with a trade-off between diversity and performance. Furthermore, we introduce two mechanisms to fully realize the potential of multi-layer stacking. Finally, PSEO builds a hyperparameter space and searches for the optimal post-hoc ensemble strategy within it. Empirical results on 80 public datasets show that \sys achieves the best average test rank (2.96) among 16 methods, including post-hoc designs in recent AutoML systems and state-of-the-art ensemble learning methods.
Authors: Rishabh Gaur, Gaurav Deshkar, Jayanta Kshirsagar, Harshal Hayatnagarkar, Janani Venugopalan
Abstract: For the development and optimization of agent-based models (ABMs) and rational agent-based models (RABMs), optimization algorithms such as reinforcement learning are extensively used. However, assessing the performance of RL-based ABMs and RABMS models is challenging due to the complexity and stochasticity of the modeled systems, and the lack of well-standardized metrics for comparing RL algorithms. In this study, we are developing domain-driven metrics for RL, while building on state-of-the-art metrics. We demonstrate our ``Domain-driven-RL-metrics'' using policy optimization on a rational ABM disease modeling case study to model masking behavior, vaccination, and lockdown in a pandemic. Our results show the use of domain-driven rewards in conjunction with traditional and state-of-the-art metrics for a few different simulation scenarios such as the differential availability of masks.
Authors: Thinh Nguyen, Le Huy Khiem, Van-Tuan Tran, Khoa D Doan, Nitesh V Chawla, Kok-Seng Wong
Abstract: Federated Learning (FL) enables collaborative model training across distributed clients without sharing raw data, offering a significant privacy benefit. However, most existing Personalized Federated Learning (pFL) methods assume a static client participation, which does not reflect real-world scenarios where new clients may continuously join the federated system (i.e., dynamic client onboarding). In this paper, we explore a practical scenario in which a new batch of clients is introduced incrementally while the learning task remains unchanged. This dynamic environment poses various challenges, including preserving performance for existing clients without retraining and enabling efficient knowledge transfer between client batches. To address these issues, we propose Personalized Federated Data-Free Sub-Hypernetwork (pFedDSH), a novel framework based on a central hypernetwork that generates personalized models for each client via embedding vectors. To maintain knowledge stability for existing clients, pFedDSH incorporates batch-specific masks, which activate subsets of neurons to preserve knowledge. Furthermore, we introduce a data-free replay strategy motivated by DeepInversion to facilitate backward transfer, enhancing existing clients' performance without compromising privacy. Extensive experiments conducted on CIFAR-10, CIFAR-100, and Tiny-ImageNet demonstrate that pFedDSH outperforms the state-of-the-art pFL and Federated Continual Learning baselines in our investigation scenario. Our approach achieves robust performance stability for existing clients, as well as adaptation for new clients and efficient utilization of neural resources.
Authors: Jiaqi Wang, Zhengyu Ma, Xiongri Shen, Chenlin Zhou, Leilei Zhao, Han Zhang, Yi Zhong, Siqi Cai, Zhenxi Song, Zhiguo Zhang
Abstract: Auditory attention detection (AAD) aims to decode listeners' focus in complex auditory environments from electroencephalography (EEG) recordings, which is crucial for developing neuro-steered hearing devices. Despite recent advancements, EEG-based AAD remains hindered by the absence of synergistic frameworks that can fully leverage complementary EEG features under energy-efficiency constraints. We propose S$^2$M-Former, a novel spiking symmetric mixing framework to address this limitation through two key innovations: i) Presenting a spike-driven symmetric architecture composed of parallel spatial and frequency branches with mirrored modular design, leveraging biologically plausible token-channel mixers to enhance complementary learning across branches; ii) Introducing lightweight 1D token sequences to replace conventional 3D operations, reducing parameters by 14.7$\times$. The brain-inspired spiking architecture further reduces power consumption, achieving a 5.8$\times$ energy reduction compared to recent ANN methods, while also surpassing existing SNN baselines in terms of parameter efficiency and performance. Comprehensive experiments on three AAD benchmarks (KUL, DTU and AV-GC-AAD) across three settings (within-trial, cross-trial and cross-subject) demonstrate that S$^2$M-Former achieves comparable state-of-the-art (SOTA) decoding accuracy, making it a promising low-power, high-performance solution for AAD tasks.
Authors: Mason Nakamura, Saaduddin Mahmud, Kyle H. Wray, Hamed Zamani, Shlomo Zilberstein
Abstract: Aligning LLMs with user preferences is crucial for real-world use but often requires costly fine-tuning or expensive inference, forcing trade-offs between alignment quality and computational cost. Existing inference-time methods typically ignore this balance, focusing solely on the optimized policy's performance. We propose HIA (Heuristic-Guided Inference-time Alignment), a tuning-free, black-box-compatible approach that uses a lightweight prompt optimizer, heuristic reward models, and two-stage filtering to reduce inference calls while preserving alignment quality. On real-world prompt datasets, HelpSteer and ComPRed, HIA outperforms best-of-N sampling, beam search, and greedy search baselines in multi-objective, goal-conditioned tasks under the same inference budget. We also find that HIA is effective under low-inference budgets with as little as one or two response queries, offering a practical solution for scalable, personalized LLM deployment.
Authors: Amichai Painsky
Abstract: Consider a collection of competing machine learning algorithms. Given their performance on a benchmark of datasets, we would like to identify the best performing algorithm. Specifically, which algorithm is most likely to rank highest on a future, unseen dataset. A natural approach is to select the algorithm that demonstrates the best performance on the benchmark. However, in many cases the performance differences are marginal and additional candidates may also be considered. This problem is formulated as subset selection for multinomial distributions. Formally, given a sample from a countable alphabet, our goal is to identify a minimal subset of symbols that includes the most frequent symbol in the population with high confidence. In this work, we introduce a novel framework for the subset selection problem. We provide both asymptotic and finite-sample schemes that significantly improve upon currently known methods. In addition, we provide matching lower bounds, demonstrating the favorable performance of our proposed schemes.
Authors: Stefania Russo, Rafa{\l} Klimas, Marta P{\l}onka, Hugo Le Gall, Sven Holm, Dimitar Stanev, Florian Lipsmeier, Mattia Zanon, Lito Kriara
Abstract: We developed a ResNet-based human activity recognition (HAR) model with minimal overhead to detect gait versus non-gait activities and everyday activities (walking, running, stairs, standing, sitting, lying, sit-to-stand transitions). The model was trained and evaluated using smartphone sensor data from adult healthy controls (HC) and people with multiple sclerosis (PwMS) with Expanded Disability Status Scale (EDSS) scores between 0.0-6.5. Datasets included the GaitLab study (ISRCTN15993728), an internal Roche dataset, and publicly available data sources (training only). Data from 34 HC and 68 PwMS (mean [SD] EDSS: 4.7 [1.5]) were included in the evaluation. The HAR model showed 98.4% and 99.6% accuracy in detecting gait versus non-gait activities in the GaitLab and Roche datasets, respectively, similar to a comparative state-of-the-art ResNet model (99.3% and 99.4%). For everyday activities, the proposed model not only demonstrated higher accuracy than the state-of-the-art model (96.2% vs 91.9%; internal Roche dataset) but also maintained high performance across 9 smartphone wear locations (handbag, shopping bag, crossbody bag, backpack, hoodie pocket, coat/jacket pocket, hand, neck, belt), outperforming the state-of-the-art model by 2.8% - 9.0%. In conclusion, the proposed HAR model accurately detects everyday activities and shows high robustness to various smartphone wear locations, demonstrating its practical applicability.
Authors: Luis Mandl, Dibyajyoti Nayak, Tim Ricken, Somdatta Goswami
Abstract: Accurately modeling and inferring solutions to time-dependent partial differential equations (PDEs) over extended horizons remains a core challenge in scientific machine learning. Traditional full rollout (FR) methods, which predict entire trajectories in one pass, often fail to capture the causal dependencies and generalize poorly outside the training time horizon. Autoregressive (AR) approaches, evolving the system step by step, suffer from error accumulation, limiting long-term accuracy. These shortcomings limit the long-term accuracy and reliability of both strategies. To address these issues, we introduce the Physics-Informed Time-Integrated Deep Operator Network (PITI-DeepONet), a dual-output architecture trained via fully physics-informed or hybrid physics- and data-driven objectives to ensure stable, accurate long-term evolution well beyond the training horizon. Instead of forecasting future states, the network learns the time-derivative operator from the current state, integrating it using classical time-stepping schemes to advance the solution in time. Additionally, the framework can leverage residual monitoring during inference to estimate prediction quality and detect when the system transitions outside the training domain. Applied to benchmark problems, PITI-DeepONet shows improved accuracy over extended inference time horizons when compared to traditional methods. Mean relative $\mathcal{L}_2$ errors reduced by 84% (vs. FR) and 79% (vs. AR) for the one-dimensional heat equation; by 87% (vs. FR) and 98% (vs. AR) for the one-dimensional Burgers equation; and by 42% (vs. FR) and 89% (vs. AR) for the two-dimensional Allen-Cahn equation. By moving beyond classic FR and AR schemes, PITI-DeepONet paves the way for more reliable, long-term integration of complex, time-dependent PDEs.
Authors: Mengao Zhang, Jiayu Fu, Tanya Warrier, Yuwen Wang, Tianhui Tan, Ke-wei Huang
Abstract: Hallucination remains a critical challenge for deploying Large Language Models (LLMs) in finance. Accurate extraction and precise calculation from tabular data are essential for reliable financial analysis, since even minor numerical errors can undermine decision-making and regulatory compliance. Financial applications have unique requirements, often relying on context-dependent, numerical, and proprietary tabular data that existing hallucination benchmarks rarely capture. In this study, we develop a rigorous and scalable framework for evaluating intrinsic hallucinations in financial LLMs, conceptualized as a context-aware masked span prediction task over real-world financial documents. Our main contributions are: (1) a novel, automated dataset creation paradigm using a masking strategy; (2) a new hallucination evaluation dataset derived from S&P 500 annual reports; and (3) a comprehensive evaluation of intrinsic hallucination patterns in state-of-the-art LLMs on financial tabular data. Our work provides a robust methodology for in-house LLM evaluation and serves as a critical step toward building more trustworthy and reliable financial Generative AI systems.
Authors: Bin Liu, Yunfei Liu, Ziru Xu, Zhaoyu Zhou, Zhi Kou, Yeqiu Yang, Han Zhu, Jian Xu, Bo Zheng
Abstract: Online advertising systems typically use a cascaded architecture to manage massive requests and candidate volumes, where the ranking stages allocate traffic based on eCPM (predicted CTR $\times$ Bid). With the increasing popularity of auto-bidding strategies, the inconsistency between the computationally sensitive retrieval stage and the ranking stages becomes more pronounced, as the former cannot access precise, real-time bids for the vast ad corpus. This discrepancy leads to sub-optimal platform revenue and advertiser outcomes. To tackle this problem, we propose Bidding-Aware Retrieval (BAR), a model-based retrieval framework that addresses multi-stage inconsistency by incorporating ad bid value into the retrieval scoring function. The core innovation is Bidding-Aware Modeling, incorporating bid signals through monotonicity-constrained learning and multi-task distillation to ensure economically coherent representations, while Asynchronous Near-Line Inference enables real-time updates to the embedding for market responsiveness. Furthermore, the Task-Attentive Refinement module selectively enhances feature interactions to disentangle user interest and commercial value signals. Extensive offline experiments and full-scale deployment across Alibaba's display advertising platform validated BAR's efficacy: 4.32% platform revenue increase with 22.2% impression lift for positively-operated advertisements.
Authors: Saddam Hussain Khan (Artificial Intelligence Lab, Department of Computer Systems Engineering, University of Engineering,Applied Sciences)
Abstract: The Rate of Penetration (ROP) is crucial for optimizing drilling operations; however, accurately predicting it is hindered by the complex, dynamic, and high-dimensional nature of drilling data. Traditional empirical, physics-based, and basic machine learning models often fail to capture intricate temporal and contextual relationships, resulting in suboptimal predictions and limited real-time utility. To address this gap, we propose a novel hybrid deep learning architecture integrating Long Short-Term Memory (LSTM) networks, Transformer encoders, Time-Series Mixer (TS-Mixer) blocks, and attention mechanisms to synergistically model temporal dependencies, static feature interactions, global context, and dynamic feature importance. Evaluated on a real-world drilling dataset, our model outperformed benchmarks (standalone LSTM, TS-Mixer, and simpler hybrids) with an R-squared score of 0.9988 and a Mean Absolute Percentage Error of 1.447%, as measured by standard regression metrics (R-squared, MAE, RMSE, MAPE). Model interpretability was ensured using SHAP and LIME, while actual vs. predicted curves and bias checks confirmed accuracy and fairness across scenarios. This advanced hybrid approach enables reliable real-time ROP prediction, paving the way for intelligent, cost-effective drilling optimization systems with significant operational impact.
Authors: Ahmad Saeed Khan, Erik Schaffernicht, Johannes Andreas Stork
Abstract: Estimating causal effects from observational data is challenging due to selection bias, which leads to imbalanced covariate distributions across treatment groups. Propensity score-based weighting methods are widely used to address this issue by reweighting samples to simulate a randomized controlled trial (RCT). However, the effectiveness of these methods heavily depends on the observed data and the accuracy of the propensity score estimator. For example, inverse propensity weighting (IPW) assigns weights based on the inverse of the propensity score, which can lead to instable weights when propensity scores have high variance-either due to data or model misspecification-ultimately degrading the ability of handling selection bias and treatment effect estimation. To overcome these limitations, we propose Deconfounding Factor Weighting (DFW), a novel propensity score-based approach that leverages the deconfounding factor-to construct stable and effective sample weights. DFW prioritizes less confounded samples while mitigating the influence of highly confounded ones, producing a pseudopopulation that better approximates a RCT. Our approach ensures bounded weights, lower variance, and improved covariate balance.While DFW is formulated for binary treatments, it naturally extends to multi-treatment settings, as the deconfounding factor is computed based on the estimated probability of the treatment actually received by each sample. Through extensive experiments on real-world benchmark and synthetic datasets, we demonstrate that DFW outperforms existing methods, including IPW and CBPS, in both covariate balancing and treatment effect estimation.
Authors: Marcin Kolakowski, Seif Ben Bader
Abstract: Effective slowing down of older adults\' physical capacity deterioration requires intervention as soon as the first symptoms surface. In this paper, we analyze the possibility of predicting the Short Physical Performance Battery (SPPB) score at a four-year horizon based on questionnaire data. The ML algorithms tested included Random Forest, XGBoost, Linear Regression, dense and TabNet neural networks. The best results were achieved for the XGBoost (mean absolute error of 0.79 points). Based on the Shapley values analysis, we selected smaller subsets of features (from 10 to 20) and retrained the XGBoost regressor, achieving a mean absolute error of 0.82.
Authors: Mirko Konstantin, Anirban Mukhopadhyay
Abstract: Federated learning (FL) enables collaborative model training across distributed clients while preserving data privacy by keeping data local. Traditional FL approaches rely on a centralized, star-shaped topology, where a central server aggregates model updates from clients. However, this architecture introduces several limitations, including a single point of failure, limited personalization, and poor robustness to distribution shifts or vulnerability to malfunctioning clients. Moreover, update selection in centralized FL often relies on low-level parameter differences, which can be unreliable when client data is not independent and identically distributed, and offer clients little control. In this work, we propose a decentralized, peer-to-peer (P2P) FL framework. It leverages the flexibility of the P2P topology to enable each client to identify and aggregate a personalized set of trustworthy and beneficial updates.This framework is the Local Inference Guided Aggregation for Heterogeneous Training Environments to Yield Enhancement Through Agreement and Regularization (LIGHTYEAR). Central to our method is an agreement score, computed on a local validation set, which quantifies the semantic alignment of incoming updates in the function space with respect to the clients reference model. Each client uses this score to select a tailored subset of updates and performs aggregation with a regularization term that further stabilizes the training. Our empirical evaluation across two datasets shows that the proposed approach consistently outperforms both centralized baselines and existing P2P methods in terms of client-level performance, particularly under adversarial and heterogeneous conditions.
Authors: Feifan Xia, Mingyang Liao, Yuyang Fang, Defang Li, Yantong Xie, Weikang Li, Yang Li, Deguo Xia, Jizhou Huang
Abstract: Traditional parameter-efficient fine-tuning (PEFT) methods such as LoRA are tightly coupled with the base model architecture, which constrains their applicability across heterogeneous pretrained large language models (LLMs). To address this limitation, we introduce Cross-LoRA, a data-free framework for transferring LoRA modules between diverse base models without requiring additional training data. Cross-LoRA consists of two key components: (a) LoRA-Align, which performs subspace alignment between source and target base models through rank-truncated singular value decomposition (SVD) and Frobenius-optimal linear transformation, ensuring compatibility under dimension mismatch; and (b) LoRA-Shift, which applies the aligned subspaces to project source LoRA weight updates into the target model parameter space. Both components are data-free, training-free, and enable lightweight adaptation on a commodity GPU in 20 minutes. Experiments on ARCs, OBOA and HellaSwag show that Cross-LoRA achieves relative gains of up to 5.26% over base models. Across other commonsense reasoning benchmarks, Cross-LoRA maintains performance comparable to that of directly trained LoRA adapters.
Authors: Xiaodong Chen, Mingming Ha, Zhenzhong Lan, Jing Zhang, Jianguo Li
Abstract: The Mixture-of-Experts (MoE) architecture has become a predominant paradigm for scaling large language models (LLMs). Despite offering strong performance and computational efficiency, large MoE-based LLMs like DeepSeek-V3-0324 and Kimi-K2-Instruct present serious challenges due to substantial memory requirements in deployment. While recent works have explored MoE compression to address this issue, existing methods often suffer from considerable accuracy drops (e.g., 7-14% relatively) even at modest compression rates. This paper introduces a novel Mixture-of-Basis-Experts (MoBE) method that achieves model compression while incurring minimal accuracy drops. Specifically, each up/gate matrix in an expert is decomposed via a rank decomposition as W = AB, where matrix A is unique to each expert. The relatively larger matrix B is further re-parameterized as a linear combination of basis matrices {Bi} shared across all experts within a given MoE layer. The factorization is learned by minimizing the reconstruction error relative to the original weight matrices. Experiments demonstrate that MoBE achieves notably lower accuracy drops compared to prior works. For instance, MoBE can reduce the parameter counts of Qwen3-235B-A22B-2507, DeepSeek-V3-0324 (671B) and Kimi-K2-Instruct (1T) by 24%-30% with only 1%-2% accuracy drop (about 2% drops when measured relatively).
Authors: Zhouyao Qian, Yang Chen, Baodian Li, Shuyi Zhang, Zhen Tian, Gongsen Wang, Tianyue Gu, Xinyu Zhou, Huilin Chen, Xinyi Li, Hao Zhu, Shuyao Zhang, Zongheng Li, Siyuan Wang
Abstract: Marine chlorophyll concentration is an important indicator of ecosystem health and carbon cycle strength, and its accurate prediction is crucial for red tide warning and ecological response. In this paper, we propose a LSTM-RF hybrid model that combines the advantages of LSTM and RF, which solves the deficiencies of a single model in time-series modelling and nonlinear feature portrayal. Trained with multi-source ocean data(temperature, salinity, dissolved oxygen, etc.), the experimental results show that the LSTM-RF model has an R^2 of 0.5386, an MSE of 0.005806, and an MAE of 0.057147 on the test set, which is significantly better than using LSTM (R^2 = 0.0208) and RF (R^2 =0.4934) alone , respectively. The standardised treatment and sliding window approach improved the prediction accuracy of the model and provided an innovative solution for high-frequency prediction of marine ecological variables.
Authors: Lars Graf, Thomas Ortner, Stanis{\l}aw Wo\'zniak, Angeliki Pantazi
Abstract: Foundation models (FMs) have transformed natural language processing, but their success has not yet translated to time series forecasting. Existing time series foundation models (TSFMs), often based on transformer variants, struggle with generalization across varying context and target lengths, lack adaptability to different sampling rates, and are computationally inefficient. We introduce FlowState, a novel TSFM architecture that addresses these challenges through two key innovations: a state space model (SSM) based encoder and a functional basis decoder. This design enables continuous-time modeling and dynamic time-scale adjustment, allowing FlowState to inherently generalize across all possible temporal resolutions, and dynamically adjust the forecasting horizons. In contrast to other state-of-the-art TSFMs, which require training data across all possible sampling rates to memorize patterns at each scale, FlowState inherently adapts its internal dynamics to the input scale, enabling smaller models, reduced data requirements, and improved efficiency. We further propose an efficient pretraining strategy that improves robustness and accelerates training. Despite being the smallest model, FlowState outperforms all other models and is state-of-the-art for the GIFT-ZS and the Chronos-ZS benchmarks. Ablation studies confirm the effectiveness of its components, and we demonstrate its unique ability to adapt online to varying input sampling rates.
Authors: Zhongheng Yang, Aijia Sun, Yushang Zhao, Yinuo Yang, Dannier Li, Chengrui Zhou
Abstract: Conversational recommender systems (CRS) based on Large Language Models (LLMs) need to constantly be aligned to the user preferences to provide satisfying and context-relevant item recommendations. The traditional supervised fine-tuning cannot capture the implicit feedback signal, e.g., dwell time, sentiment polarity, or engagement patterns. In this paper, we share a fine-tuning solution using human feedback reinforcement learning (RLHF) to maximize implied user feedback (IUF) in a multi-turn recommendation context. We specify a reward model $R_{\phi}$ learnt on weakly-labelled engagement information and maximize user-centric utility by optimizing the foundational LLM M_{\theta} through a proximal policy optimization (PPO) approach. The architecture models conversational state transitions $s_t \to a_t \to s_{t +1}$, where the action $a_t$ is associated with LLM-generated item suggestions only on condition of conversation history in the past. The evaluation across synthetic and real-world datasets (e.g.REDIAL, OpenDialKG) demonstrates that our RLHF-fine-tuned models can perform better in terms of top-$k$ recommendation accuracy, coherence, and user satisfaction compared to (arrow-zero-cmwrquca-teja-falset ensuite 2Round group-deca States penalty give up This paper shows that implicit signal alignment can be efficient in achieving scalable and user-adaptive design of CRS.
Authors: Hikaru Umeda, Hideaki Iiduka
Abstract: The unprecedented growth of deep learning models has enabled remarkable advances but introduced substantial computational bottlenecks. A key factor contributing to training efficiency is batch-size and learning-rate scheduling in stochastic gradient methods. However, naive scheduling of these hyperparameters can degrade optimization efficiency and compromise generalization. Motivated by recent theoretical insights, we investigated how the batch size and learning rate should be increased during training to balance efficiency and convergence. We analyzed this problem on the basis of stochastic first-order oracle (SFO) complexity, defined as the expected number of gradient evaluations needed to reach an $\epsilon$-approximate stationary point of the empirical loss. We theoretically derived optimal growth schedules for the batch size and learning rate that reduce SFO complexity and validated them through extensive experiments. Our results offer both theoretical insights and practical guidelines for scalable and efficient large-batch training in deep learning.
Authors: Hikaru Umeda, Hideaki Iiduka
Abstract: The convergence behavior of mini-batch stochastic gradient descent (SGD) is highly sensitive to the batch size and learning rate settings. Recent theoretical studies have identified the existence of a critical batch size that minimizes stochastic first-order oracle (SFO) complexity, defined as the expected number of gradient evaluations required to reach a stationary point of the empirical loss function in a deep neural network. An adaptive scheduling strategy is introduced to accelerate SGD that leverages theoretical findings on the critical batch size. The batch size and learning rate are adjusted on the basis of the observed decay in the full gradient norm during training. Experiments using an adaptive joint scheduler based on this strategy demonstrated improved convergence speed compared with that of existing schedulers.
Authors: Jelle Luijkx, Zlatan Ajanovi\'c, Laura Ferranti, Jens Kober
Abstract: Human teaching effort is a significant bottleneck for the broader applicability of interactive imitation learning. To reduce the number of required queries, existing methods employ active learning to query the human teacher only in uncertain, risky, or novel situations. However, during these queries, the novice's planned actions are not utilized despite containing valuable information, such as the novice's capabilities, as well as corresponding uncertainty levels. To this end, we allow the novice to say: "I plan to do this, but I am uncertain." We introduce the Active Skill-level Data Aggregation (ASkDAgger) framework, which leverages teacher feedback on the novice plan in three key ways: (1) S-Aware Gating (SAG): Adjusts the gating threshold to track sensitivity, specificity, or a minimum success rate; (2) Foresight Interactive Experience Replay (FIER), which recasts valid and relabeled novice action plans into demonstrations; and (3) Prioritized Interactive Experience Replay (PIER), which prioritizes replay based on uncertainty, novice success, and demonstration age. Together, these components balance query frequency with failure incidence, reduce the number of required demonstration annotations, improve generalization, and speed up adaptation to changing domains. We validate the effectiveness of ASkDAgger through language-conditioned manipulation tasks in both simulation and real-world environments. Code, data, and videos are available at https://askdagger.github.io.
Authors: Yue Duan, Taicai Chen, Lei Qi, Yinghuan Shi
Abstract: Semi-supervised continual learning (SSCL) seeks to leverage both labeled and unlabeled data in a sequential learning setup, aiming to reduce annotation costs while managing continual data arrival. SSCL introduces complex challenges, including ensuring effective unlabeled learning (UL), while balancing memory stability (MS) and learning plasticity (LP). Previous SSCL efforts have typically focused on isolated aspects of the three, while this work presents USP, a divide-and-conquer framework designed to synergistically enhance these three aspects: (1) Feature Space Reservation (FSR) strategy for LP, which constructs reserved feature locations for future classes by shaping old classes into an equiangular tight frame; (2) Divide-and-Conquer Pseudo-labeling (DCP) approach for UL, which assigns reliable pseudo-labels across both high- and low-confidence unlabeled data; and (3) Class-mean-anchored Unlabeled Distillation (CUD) for MS, which reuses DCP's outputs to anchor unlabeled data to stable class means for distillation to prevent forgetting. Comprehensive evaluations show USP outperforms prior SSCL methods, with gains up to 5.94% in the last accuracy, validating its effectiveness. The code is available at https://github.com/NJUyued/USP4SSCL.
Authors: Yi-Hsiu Liao (Zixiaofan), Cheng Shen (Zixiaofan), Brenda (Zixiaofan), Yang
Abstract: Corpus Aware Training (CAT) leverages valuable corpus metadata during training by injecting corpus information into each training example, and has been found effective in the literature, commonly known as the "tagging" approach. Models trained with CAT inherently learn the quality, domain and nuance between corpora directly from data, and can easily switch to different inference behavior. To achieve the best evaluation, CAT models pre-define a group of high quality data before training starts which can be error-prone and inefficient. In this work, we propose Optimal Corpus Aware Training (OCAT), which fine-tunes a CAT pre-trained model by freezing most of the model parameters and only tuning small set of corpus-related parameters. We show that OCAT is lightweight, resilient to overfitting, and effective in boosting model accuracy. We use WMT23 English to Chinese and English to German translation tasks as our test ground and show +3.6 and +1.8 chrF improvement, respectively, over vanilla training. Furthermore, our approach is on-par or slightly better than other state-of-the-art fine-tuning techniques while being less sensitive to hyperparameter settings.
Authors: Newton Mwai, Emil Carlsson, Fredrik D. Johansson
Abstract: Bandit algorithms are guaranteed to solve diverse sequential decision-making problems, provided that a sufficient exploration budget is available. However, learning from scratch is often too costly for personalization tasks where a single individual faces only a small number of decision points. Latent bandits offer substantially reduced exploration times for such problems, given that the joint distribution of a latent state and the rewards of actions is known and accurate. In practice, finding such a model is non-trivial, and there may not exist a small number of latent states that explain the responses of all individuals. For example, patients with similar latent conditions may have the same preference in treatments but rate their symptoms on different scales. With this in mind, we propose relaxing the assumptions of latent bandits to require only a model of the \emph{preference ordering} of actions in each latent state. This allows problem instances with the same latent state to vary in their reward distributions, as long as their preference orderings are equal. We give a posterior-sampling algorithm for this problem and demonstrate that its empirical performance is competitive with latent bandits that have full knowledge of the reward distribution when this is well-specified, and outperforms them when reward scales differ between instances with the same latent state.
Authors: Jie Xiao, Shaoduo Gan, Changyuan Fan, Qingnan Ren, Alfred Long, Yuchen Zhang, Rymon Yu, Eric Yang, Lynn Ai
Abstract: Modern RL-based post-training for large language models (LLMs) co-locate trajectory sampling and policy optimisation on the same GPU cluster, forcing the system to switch between inference and training workloads. This serial context switching violates the single-program-multiple-data (SPMD) assumption underlying today's distributed training systems. We present Echo, the RL system that cleanly decouples these two phases across heterogeneous "inference" and "training" swarms while preserving statistical efficiency. Echo introduces two lightweight synchronization protocols: a sequential pull mode that refreshes sampler weights on every API call for minimal bias, and an asynchronous push-pull mode that streams version-tagged rollouts through a replay buffer to maximise hardware utilisation. Training three representative RL workloads with Qwen3-4B, Qwen2.5-7B and Qwen3-32B on a geographically distributed cluster, Echo matches a fully co-located Verl baseline in convergence speed and final reward while off-loading trajectory generation to commodity edge hardware. These promising results demonstrate that large-scale RL for LLMs could achieve datacentre-grade performance using decentralised, heterogeneous resources.
Authors: Wenjie Huo, Katinka Wolter
Abstract: Recent studies have shown that deep neural networks (DNNs) are vulnerable to backdoor attacks, where a designed trigger is injected into the dataset, causing erroneous predictions when activated. In this paper, we propose a novel defense mechanism, Non-target label Training and Mutual Learning (NT-ML), which can successfully restore the poisoned model under advanced backdoor attacks. NT aims to reduce the harm of poisoned data by retraining the model with the outputs of the standard training. At this stage, a teacher model with high accuracy on clean data and a student model with higher confidence in correct prediction on poisoned data are obtained. Then, the teacher and student can learn the strengths from each other through ML to obtain a purified student model. Extensive experiments show that NT-ML can effectively defend against 6 backdoor attacks with a small number of clean samples, and outperforms 5 state-of-the-art backdoor defenses.
Authors: Asma Atamna, Tom Maus, Fabian Kievelitz, Tobias Glasmachers
Abstract: The learning rate is a crucial hyperparameter in deep learning, with its ideal value depending on the problem and potentially changing during training. In this paper, we investigate the practical utility of adaptive learning rate mechanisms that adjust step sizes dynamically in response to the loss landscape. We revisit a cumulative path-based adaptation scheme proposed in 2017, which adjusts the learning rate based on the discrepancy between the observed path length, computed as a time-discounted sum of normalized gradient steps, and the expected length of a random walk. While the original approach offers a compelling intuition, we show that its adaptation mechanism for Adam is conceptually inconsistent due to the optimizer's internal preconditioning. We propose a corrected variant that better reflects Adam's update dynamics. To assess the practical value of online learning rate adaptation, we benchmark SGD and Adam, with and without cumulative adaptation, and compare them to a recent alternative method. Our results aim to clarify when and why such adaptive strategies offer practical benefits.
Authors: Md Atik Ahamed, Qiang Ye, Qiang Cheng
Abstract: Molecular generation conditioned on textual descriptions is a fundamental task in computational chemistry and drug discovery. Existing methods often struggle to simultaneously ensure high-quality, diverse generation and fast inference. In this work, we propose a novel causality-aware framework that addresses these challenges through two key innovations. First, we introduce a Causality-Aware Transformer (CAT) that jointly encodes molecular graph tokens and text instructions while enforcing causal dependencies during generation. Second, we develop a Variational Mean Flow (VMF) framework that generalizes existing flow-based methods by modeling the latent space as a mixture of Gaussians, enhancing expressiveness beyond unimodal priors. VMF enables efficient one-step inference while maintaining strong generation quality and diversity. Extensive experiments on four standard molecular benchmarks demonstrate that our model outperforms state-of-the-art baselines, achieving higher novelty (up to 74.5\%), diversity (up to 70.3\%), and 100\% validity across all datasets. Moreover, VMF requires only one number of function evaluation (NFE) during conditional generation and up to five NFEs for unconditional generation, offering substantial computational efficiency over diffusion-based methods.
Authors: Mansi Sharma, Enrico Sartor, Marc Cavazza, Helmut Prendinger
Abstract: Forecasting stock and cryptocurrency prices is challenging due to high volatility and non-stationarity, influenced by factors like economic changes and market sentiment. Previous research shows that Echo State Networks (ESNs) can effectively model short-term stock market movements, capturing nonlinear patterns in dynamic data. To the best of our knowledge, this work is among the first to explore ESNs for cryptocurrency forecasting, especially during extreme volatility. We also conduct chaos analysis through the Lyapunov exponent in chaotic periods and show that our approach outperforms existing machine learning methods by a significant margin. Our findings are consistent with the Lyapunov exponent analysis, showing that ESNs are robust during chaotic periods and excel under high chaos compared to Boosting and Na\"ive methods.
Authors: Yixuan Zhang, Wenxin Zhang, Hua Jiang, Quyu Kong, Feng Zhou
Abstract: Biological neurons communicate through spike trains, discrete, irregular bursts of activity that exhibit variability far beyond the modeling capacity of conventional variational autoencoders (VAEs). Recent work, such as the Poisson-VAE, makes a biologically inspired move by modeling spike counts using the Poisson distribution. However, they impose a rigid constraint: equal mean and variance, which fails to reflect the true stochastic nature of neural activity. In this work, we challenge this constraint and introduce NegBio-VAE, a principled extension of the VAE framework that models spike counts using the negative binomial distribution. This shift grants explicit control over dispersion, unlocking a broader and more accurate family of neural representations. We further develop two ELBO optimization schemes and two differentiable reparameterization strategies tailored to the negative binomial setting. By introducing one additional dispersion parameter, NegBio-VAE generalizes the Poisson latent model to a negative binomial formulation. Empirical results demonstrate this minor yet impactful change leads to significant gains in reconstruction fidelity, highlighting the importance of explicitly modeling overdispersion in spike-like activations.
Authors: Jiansheng Rao, Jiayi Li, Zhizhi Gong, Soummya Kar, Haoxuan Li
Abstract: Federated learning (FL) is a widely adopted paradigm for privacy-preserving model training, but FedAvg optimise for the majority while under-serving minority clients. Existing methods such as federated multi-objective learning (FMOL) attempts to import multi-objective optimisation (MOO) into FL. However, it merely delivers task-wise Pareto-stationary points, leaving client fairness to chance. In this paper, we introduce Conically-Regularised FMOL (CR-FMOL), the first federated MOO framework that enforces client-wise Pareto optimality through a novel preference-cone constraint. After local federated multi-gradient descent averaging (FMGDA) / federated stochastic multi-gradient descent averaging (FSMGDA) steps, each client transmits its aggregated task-loss vector as an implicit preference; the server then solves a cone-constrained Pareto-MTL sub-problem centred at the uniform vector, producing a descent direction that is Pareto-stationary for every client within its cone. Experiments on non-IID benchmarks show that CR-FMOL enhances client fairness, and although the early-stage performance is slightly inferior to FedAvg, it is expected to achieve comparable accuracy given sufficient training rounds.
Authors: Ziyin Gu, Jingyao Wang, Ran Zuo, Chuxiong Sun, Zeen Song, Changwen Zheng, Wenwen Qiang
Abstract: Recent advances in large language models (LLMs) have broadened their applicability across diverse tasks, yet specialized domains still require targeted post training. Among existing methods, Group Relative Policy Optimization (GRPO) stands out for its efficiency, leveraging groupwise relative rewards while avoiding costly value function learning. However, GRPO treats candidate responses as independent, overlooking semantic interactions such as complementarity and contradiction. To address this challenge, we first introduce a Structural Causal Model (SCM) that reveals hidden dependencies among candidate responses induced by conditioning on a final integrated output forming a collider structure. Then, our causal analysis leads to two insights: (1) projecting responses onto a causally informed subspace improves prediction quality, and (2) this projection yields a better baseline than query only conditioning. Building on these insights, we propose Group Causal Policy Optimization (GCPO), which integrates causal structure into optimization through two key components: a causally informed reward adjustment and a novel KL regularization term that aligns the policy with a causally projected reference distribution. Comprehensive experimental evaluations demonstrate that GCPO consistently surpasses existing methods, including GRPO across multiple reasoning benchmarks.
Authors: Qinglong Hu, Xialiang Tong, Mingxuan Yuan, Fei Liu, Zhichao Lu, Qingfu Zhang
Abstract: Interpretability and high performance are essential goals in designing control policies, particularly for safety-critical tasks. Deep reinforcement learning has greatly enhanced performance, yet its inherent lack of interpretability often undermines trust and hinders real-world deployment. This work addresses these dual challenges by introducing a novel approach for programmatic policy discovery, called Multimodal Large Language Model-assisted Evolutionary Search (MLES). MLES utilizes multimodal large language models as policy generators, combining them with evolutionary mechanisms for automatic policy optimization. It integrates visual feedback-driven behavior analysis within the policy generation process to identify failure patterns and facilitate targeted improvements, enhancing the efficiency of policy discovery and producing adaptable, human-aligned policies. Experimental results show that MLES achieves policy discovery capabilities and efficiency comparable to Proximal Policy Optimization (PPO) across two control tasks, while offering transparent control logic and traceable design processes. This paradigm overcomes the limitations of predefined domain-specific languages, facilitates knowledge transfer and reuse, and is scalable across various control tasks. MLES shows promise as a leading approach for the next generation of interpretable control policy discovery.
Authors: Vincent Jeanselme, Brian Tom, Jessica Barrett
Abstract: Accurate time-to-event prediction is integral to decision-making, informing medical guidelines, hiring decisions, and resource allocation. Survival analysis, the quantitative framework used to model time-to-event data, accounts for patients who do not experience the event of interest during the study period, known as censored patients. However, many patients experience events that prevent the observation of the outcome of interest. These competing risks are often treated as censoring, a practice frequently overlooked due to a limited understanding of its consequences. Our work theoretically demonstrates why treating competing risks as censoring introduces substantial bias in survival estimates, leading to systematic overestimation of risk and, critically, amplifying disparities. First, we formalize the problem of misclassifying competing risks as censoring and quantify the resulting error in survival estimates. Specifically, we develop a framework to estimate this error and demonstrate the associated implications for predictive performance and algorithmic fairness. Furthermore, we examine how differing risk profiles across demographic groups lead to group-specific errors, potentially exacerbating existing disparities. Our findings, supported by an empirical analysis of cardiovascular management, demonstrate that ignoring competing risks disproportionately impacts the individuals most at risk of these events, potentially accentuating inequity. By quantifying the error and highlighting the fairness implications of the common practice of considering competing risks as censoring, our work provides a critical insight into the development of survival models: practitioners must account for competing risks to improve accuracy, reduce disparities in risk assessment, and better inform downstream decisions.
Authors: Zuyuan Zhang, Arnob Ghosh, Tian Lan
Abstract: Making decisions with respect to just the expected returns in Monte Carlo Tree Search (MCTS) cannot account for the potential range of high-risk, adverse outcomes associated with a decision. To this end, safety-aware MCTS often consider some constrained variants -- by introducing some form of mean risk measures or hard cost thresholds. These approaches fail to provide rigorous tail-safety guarantees with respect to extreme or high-risk outcomes (denoted as tail-risk), potentially resulting in serious consequence in high-stake scenarios. This paper addresses the problem by developing two novel solutions. We first propose CVaR-MCTS, which embeds a coherent tail risk measure, Conditional Value-at-Risk (CVaR), into MCTS. Our CVaR-MCTS with parameter $\alpha$ achieves explicit tail-risk control over the expected loss in the "worst $(1-\alpha)\%$ scenarios." Second, we further address the estimation bias of tail-risk due to limited samples. We propose Wasserstein-MCTS (or W-MCTS) by introducing a first-order Wasserstein ambiguity set $\mathcal{P}_{\varepsilon_{s}}(s,a)$ with radius $\varepsilon_{s}$ to characterize the uncertainty in tail-risk estimates. We prove PAC tail-safety guarantees for both CVaR-MCTS and W-MCTS and establish their regret. Evaluations on diverse simulated environments demonstrate that our proposed methods outperform existing baselines, effectively achieving robust tail-risk guarantees with improved rewards and stability.
Authors: Wei Li, Zixin Wang, Qizheng Sun, Qixiang Gao, Fenglei Yang
Abstract: Accurate and reliable energy time series prediction is of great significance for power generation planning and allocation. At present, deep learning time series prediction has become the mainstream method. However, the multi-scale time dynamics and the irregularity of real data lead to the limitations of the existing methods. Therefore, we propose EnergyPatchTST, which is an extension of the Patch Time Series Transformer specially designed for energy forecasting. The main innovations of our method are as follows: (1) multi-scale feature extraction mechanism to capture patterns with different time resolutions; (2) probability prediction framework to estimate uncertainty through Monte Carlo elimination; (3) integration path of future known variables (such as temperature and wind conditions); And (4) Pre-training and Fine-tuning examples to enhance the performance of limited energy data sets. A series of experiments on common energy data sets show that EnergyPatchTST is superior to other commonly used methods, the prediction error is reduced by 7-12%, and reliable uncertainty estimation is provided, which provides an important reference for time series prediction in the energy field.
Authors: Robert Jankowski, Filippo Radicchi, M. \'Angeles Serrano, Mari\'an Bogu\~n\'a, Santo Fortunato
Abstract: Neural networks excel across a wide range of tasks, yet remain black boxes. In particular, how their internal representations are shaped by the complexity of the input data and the problems they solve remains obscure. In this work, we introduce a suite of five data-agnostic probes-pruning, binarization, noise injection, sign flipping, and bipartite network randomization-to quantify how task difficulty influences the topology and robustness of representations in multilayer perceptrons (MLPs). MLPs are represented as signed, weighted bipartite graphs from a network science perspective. We contrast easy and hard classification tasks on the MNIST and Fashion-MNIST datasets. We show that binarizing weights in hard-task models collapses accuracy to chance, whereas easy-task models remain robust. We also find that pruning low-magnitude edges in binarized hard-task models reveals a sharp phase-transition in performance. Moreover, moderate noise injection can enhance accuracy, resembling a stochastic-resonance effect linked to optimal sign flips of small-magnitude weights. Finally, preserving only the sign structure-instead of precise weight magnitudes-through bipartite network randomizations suffices to maintain high accuracy. These phenomena define a model- and modality-agnostic measure of task complexity: the performance gap between full-precision and binarized or shuffled neural network performance. Our findings highlight the crucial role of signed bipartite topology in learned representations and suggest practical strategies for model compression and interpretability that align with task complexity.
Authors: Zachary Robertson, Sanmi Koyejo
Abstract: We develop mechanisms for evaluating AI systems without ground truth by exploiting a connection between gaming resistance and output quality. The data processing inequality ensures post-hoc attempts to game a metric degrades both information content and task performance. We prove that f-mutual information measures are the unique gaming resistant mechanisms under natural conditions, with the overseer acting as an agent. While Shannon mutual information faces exponential sample complexity, bounded measures like total variation distance remain tractable. Empirically, across ten domains from translation to peer review, all information-theoretic mechanisms achieve perfect discrimination (d > 0.5) between faithful and strategic agents. In contrast, LLM judges exhibit systematic evaluation inversion, preferring fabricated content over accurate summaries. Our mechanisms show 10-100x better robustness to adversarial manipulation than current practices. We also find performance follows an inverted-U curve with compression ratio, peaking at 10:1 where agent responses exhibit optimal information diversity (3 effective dimensions), giving a bias-variance perspective on when our approach is expected to be most effective.
Authors: Vincent Jeanselme, Glen Martin, Matthew Sperrin, Niels Peek, Brian Tom, Jessica Barrett
Abstract: Electronic health records arise from the complex interaction between patients and the healthcare system. This observation process of interactions, referred to as clinical presence, often impacts observed outcomes. When using electronic health records to develop clinical prediction models, it is standard practice to overlook clinical presence, impacting performance and limiting the transportability of models when this interaction evolves. We propose a multi-task recurrent neural network that jointly models the inter-observation time and the missingness processes characterising this interaction in parallel to the survival outcome of interest. Our work formalises the concept of clinical presence shift when the prediction model is deployed in new settings (e.g. different hospitals, regions or countries), and we theoretically justify why the proposed joint modelling can improve transportability under changes in clinical presence. We demonstrate, in a real-world mortality prediction task in the MIMIC-III dataset, how the proposed strategy improves performance and transportability compared to state-of-the-art prediction models that do not incorporate the observation process. These results emphasise the importance of leveraging clinical presence to improve performance and create more transportable clinical prediction models.
Authors: Jifan Gao, Mahmudur Rahman, John Caskey, Madeline Oguss, Ann O'Rourke, Randy Brown, Anne Stey, Anoop Mayampurath, Matthew M. Churpek, Guanhua Chen, Majid Afshar
Abstract: Multimodal electronic health record (EHR) data provide richer, complementary insights into patient health compared to single-modality data. However, effectively integrating diverse data modalities for clinical prediction modeling remains challenging due to the substantial data requirements. We introduce a novel architecture, Mixture-of-Multimodal-Agents (MoMA), designed to leverage multiple large language model (LLM) agents for clinical prediction tasks using multimodal EHR data. MoMA employs specialized LLM agents ("specialist agents") to convert non-textual modalities, such as medical images and laboratory results, into structured textual summaries. These summaries, together with clinical notes, are combined by another LLM ("aggregator agent") to generate a unified multimodal summary, which is then used by a third LLM ("predictor agent") to produce clinical predictions. Evaluating MoMA on three prediction tasks using real-world datasets with different modality combinations and prediction settings, MoMA outperforms current state-of-the-art methods, highlighting its enhanced accuracy and flexibility across various tasks.
Authors: Kristina P. Sinaga, Sara Colantonio, Miin-Shen Yang
Abstract: Multi-view clustering faces critical challenges in automatically discovering patterns across heterogeneous data while managing high-dimensional features and eliminating irrelevant information. Traditional approaches suffer from manual parameter tuning and lack principled cross-view integration mechanisms. This work introduces two complementary algorithms: AMVFCM-U and AAMVFCM-U, providing a unified parameter-free framework. Our approach replaces fuzzification parameters with entropy regularization terms that enforce adaptive cross-view consensus. The core innovation employs signal-to-noise ratio based regularization ($\delta_j^h = \frac{\bar{x}_j^h}{(\sigma_j^h)^2}$) for principled feature weighting with convergence guarantees, coupled with dual-level entropy terms that automatically balance view and feature contributions. AAMVFCM-U extends this with hierarchical dimensionality reduction operating at feature and view levels through adaptive thresholding ($\theta^{h^{(t)}} = \frac{d_h^{(t)}}{n}$). Evaluation across five diverse benchmarks demonstrates superiority over 15 state-of-the-art methods. AAMVFCM-U achieves up to 97% computational efficiency gains, reduces dimensionality to 0.45% of original size, and automatically identifies critical view combinations for optimal pattern discovery.
Authors: Hrithik Suresh, Sahil Sidheekh, Vishnu Shreeram M. P, Sriraam Natarajan, Narayanan C. Krishnan
Abstract: Probabilistic Circuits (PCs) are a class of generative models that allow exact and tractable inference for a wide range of queries. While recent developments have enabled the learning of deep and expressive PCs, this increased capacity can often lead to overfitting, especially when data is limited. We analyze PC overfitting from a log-likelihood-landscape perspective and show that it is often caused by convergence to sharp optima that generalize poorly. Inspired by sharpness aware minimization in neural networks, we propose a Hessian-based regularizer for training PCs. As a key contribution, we show that the trace of the Hessian of the log-likelihood-a sharpness proxy that is typically intractable in deep neural networks-can be computed efficiently for PCs. Minimizing this Hessian trace induces a gradient-norm-based regularizer that yields simple closed-form parameter updates for EM, and integrates seamlessly with gradient based learning methods. Experiments on synthetic and real-world datasets demonstrate that our method consistently guides PCs toward flatter minima, improves generalization performance.
Authors: Hao Dong, Lijun Sheng, Jian Liang, Ran He, Eleni Chatzi, Olga Fink
Abstract: Vision-Language Models (VLMs) have demonstrated remarkable generalization capabilities across a wide range of tasks. However, their performance often remains suboptimal when directly applied to specific downstream scenarios without task-specific adaptation. To enhance their utility while preserving data efficiency, recent research has increasingly focused on unsupervised adaptation methods that do not rely on labeled data. Despite the growing interest in this area, there remains a lack of a unified, task-oriented survey dedicated to unsupervised VLM adaptation. To bridge this gap, we present a comprehensive and structured overview of the field. We propose a taxonomy based on the availability and nature of unlabeled visual data, categorizing existing approaches into four key paradigms: Data-Free Transfer (no data), Unsupervised Domain Transfer (abundant data), Episodic Test-Time Adaptation (batch data), and Online Test-Time Adaptation (streaming data). Within this framework, we analyze core methodologies and adaptation strategies associated with each paradigm, aiming to establish a systematic understanding of the field. Additionally, we review representative benchmarks across diverse applications and highlight open challenges and promising directions for future research. An actively maintained repository of relevant literature is available at https://github.com/tim-learn/Awesome-LabelFree-VLMs.
Authors: Qinghua Yao, Xiangrui Xu, Zhize Li
Abstract: Vertical Federated Learning (VFL) enables collaborative learning by integrating disjoint feature subsets from multiple clients/parties. However, VFL typically faces two key challenges: i) the requirement for perfectly aligned data samples across all clients (missing features are not allowed); ii) the requirement for joint collaborative inference/prediction involving all clients (it does not support locally independent inference on a single client). To address these challenges, we propose X-VFL, a new VFL framework designed to deal with the non-aligned data samples with (partially) missing features and to support locally independent inference of new data samples for each client. In particular, we design two novel modules in X-VFL: Cross Completion (XCom) and Decision Subspace Alignment (DS-Align). XCom can complete/reconstruct missing features for non-aligned data samples by leveraging information from other clients. DS-Align aligns local features with completed and global features across all clients within the decision subspace, thus enabling locally independent inference at each client. Moreover, we provide convergence theorems for different algorithms used in training X-VFL, showing an $O(1/\sqrt{T})$ convergence rate for SGD-type algorithms and an $O(1/T)$ rate for PAGE-type algorithms, where $T$ denotes the number of training update steps. Extensive experiments on real-world datasets demonstrate that X-VFL significantly outperforms existing methods, e.g., achieving a 15% improvement in accuracy on the image CIFAR-10 dataset and a 43% improvement on the medical MIMIC-III dataset. These results validate the practical effectiveness and superiority of X-VFL, particularly in scenarios involving partially missing features and locally independent inference.
Authors: Feiyu Wang, Guoan Wang, Yihao Zhang, Shengfan Wang, Weitao Li, Bokai Huang, Shimao Chen, Zihan Jiang, Rui Xu, Tong Yang
Abstract: Quantization-Aware Training (QAT) integrates quantization into the training loop, enabling LLMs to learn robust low-bit representations, and is widely recognized as one of the most promising research directions. All current QAT research focuses on minimizing quantization error on full-precision models, where the full-precision accuracy acts as an upper bound (accuracy ceiling). No existing method has even attempted to surpass this ceiling. To break this ceiling, we propose a new paradigm: raising the ceiling (full-precision model), and then still quantizing it efficiently into 2 bits. We propose Fairy$\pm i$, the first 2-bit quantization framework for complex-valued LLMs. Specifically, our method leverages the representational advantages of the complex domain to boost full-precision accuracy. We map weights to the fourth roots of unity $\{\pm1, \pm i\}$, forming a perfectly symmetric and information-theoretically optimal 2-bit representation. Importantly, each quantized weight has either a zero real or imaginary part, enabling multiplication-free inference using only additions and element swaps. Experimental results show that Fairy$\pm i$ outperforms the ceiling of existing 2-bit quantization approaches in terms of both PPL and downstream tasks, while maintaining strict storage and compute efficiency. This work opens a new direction for building highly accurate and practical LLMs under extremely low-bit constraints.
Authors: Guilherme Seidyo Imai Aldeia, Daniel S. Herman, William G. La Cava
Abstract: Large language models (LLMs) have demonstrated remarkable capabilities for medical question answering and programming, but their potential for generating interpretable computable phenotypes (CPs) is under-explored. In this work, we investigate whether LLMs can generate accurate and concise CPs for six clinical phenotypes of varying complexity, which could be leveraged to enable scalable clinical decision support to improve care for patients with hypertension. In addition to evaluating zero-short performance, we propose and test a synthesize, execute, debug, instruct strategy that uses LLMs to generate and iteratively refine CPs using data-driven feedback. Our results show that LLMs, coupled with iterative learning, can generate interpretable and reasonably accurate programs that approach the performance of state-of-the-art ML methods while requiring significantly fewer training examples.
Authors: Claudia d'Amato, Ivan Diliso, Nicola Fanizzi, Zafar Saeed
Abstract: Embedding methods have become popular due to their scalability on link prediction and/or triple classification tasks on Knowledge Graphs. Embedding models are trained relying on both positive and negative samples of triples. However, in the absence of negative assertions, these must be usually artificially generated using various negative sampling strategies, ranging from random corruption to more sophisticated techniques which have an impact on the overall performance. Most of the popular libraries for knowledge graph embedding, support only basic such strategies and lack advanced solutions. To address this gap, we deliver an extension for the popular KGE framework PyKEEN that integrates a suite of several advanced negative samplers (including both static and dynamic corruption strategies), within a consistent modular architecture, to generate meaningful negative samples, while remaining compatible with existing PyKEEN -based workflows and pipelines. The developed extension not only enhancesPyKEEN itself but also allows for easier and comprehensive development of embedding methods and/or for their customization. As a proof of concept, we present a comprehensive empirical study of the developed extensions and their impact on the performance (link prediction tasks) of different embedding methods, which also provides useful insights for the design of more effective strategies
Authors: Natalia Emelianova, Carlos Kamienski, Ronaldo C. Prati
Abstract: The exponential growth of the Internet of Things (IoT) has led to the emergence of substantial security concerns, with IoT networks becoming the primary target for cyberattacks. This study examines the potential of Kolmogorov-Arnold Networks (KANs) as an alternative to conventional machine learning models for intrusion detection in IoT networks. The study demonstrates that KANs, which employ learnable activation functions, outperform traditional MLPs and achieve competitive accuracy compared to state-of-the-art models such as Random Forest and XGBoost, while offering superior interpretability for intrusion detection in IoT networks.
Authors: Thorsten Peinemann, Paula Arnold, Sebastian Berndt, Thomas Eisenbarth, Esfandiar Mohammadi
Abstract: Backdoor injection attacks are a threat to machine learning models that are trained on large data collected from untrusted sources; these attacks enable attackers to inject malicious behavior into the model that can be triggered by specially crafted inputs. Prior work has established bounds on the success of backdoor attacks and their impact on the benign learning task, however, an open question is what amount of poison data is needed for a successful backdoor attack. Typical attacks either use few samples, but need much information about the data points or need to poison many data points. In this paper, we formulate the one-poison hypothesis: An adversary with one poison sample and limited background knowledge can inject a backdoor with zero backdooring-error and without significantly impacting the benign learning task performance. Moreover, we prove the one-poison hypothesis for linear regression and linear classification. For adversaries that utilize a direction that is unused by the benign data distribution for the poison sample, we show that the resulting model is functionally equivalent to a model where the poison was excluded from training. We build on prior work on statistical backdoor learning to show that in all other cases, the impact on the benign learning task is still limited. We also validate our theoretical results experimentally with realistic benchmark data sets.
Authors: Linghao Zhu, Yiran Guan, Dingkang Liang, Jianzhong Ju, Zhenbo Luo, Bin Qin, Jian Luan, Yuliang Liu, Xiang Bai
Abstract: Reinforcement learning (RL) has emerged as an effective post-training paradigm for enhancing the reasoning capabilities of multimodal large language model (MLLM). However, current RL pipelines often suffer from training inefficiencies caused by two underexplored issues: Advantage Collapsing, where most advantages in a batch concentrate near zero, and Rollout Silencing, where the proportion of rollouts contributing non-zero gradients diminishes over time. These issues lead to suboptimal gradient updates and hinder long-term learning efficiency. To address these issues, we propose Shuffle-R1, a simple yet principled framework that improves RL fine-tuning efficiency by dynamically restructuring trajectory sampling and batch composition. It introduces (1) Pairwise Trajectory Sampling, which selects high-contrast trajectories with large advantages to improve gradient signal quality, and (2) Advantage-based Trajectory Shuffle, which increases exposure of valuable rollouts through informed batch reshuffling. Experiments across multiple reasoning benchmarks show that our framework consistently outperforms strong RL baselines with minimal overhead. These results highlight the importance of data-centric adaptations for more efficient RL training in MLLM.
Authors: Zhikai Zhao, Chuanbo Hua, Federico Berto, Kanghoon Lee, Zihan Ma, Jiachen Li, Jinkyoo Park
Abstract: Trajectory prediction is a critical task in modeling human behavior, especially in safety-critical domains such as social robotics and autonomous vehicle navigation. Traditional heuristics based on handcrafted rules often lack accuracy and generalizability. Although deep learning approaches offer improved performance, they typically suffer from high computational cost, limited explainability, and, importantly, poor generalization to out-of-distribution (OOD) scenarios. In this paper, we introduce TrajEvo, a framework that leverages Large Language Models (LLMs) to automatically design trajectory prediction heuristics. TrajEvo employs an evolutionary algorithm to generate and refine prediction heuristics from past trajectory data. We propose two key innovations: Cross-Generation Elite Sampling to encourage population diversity, and a Statistics Feedback Loop that enables the LLM to analyze and improve alternative predictions. Our evaluations demonstrate that TrajEvo outperforms existing heuristic methods across multiple real-world datasets, and notably surpasses both heuristic and deep learning methods in generalizing to an unseen OOD real-world dataset. TrajEvo marks a promising step toward the automated design of fast, explainable, and generalizable trajectory prediction heuristics. We release our source code to facilitate future research at https://github.com/ai4co/trajevo.
Authors: Yongliang Wu, Yizhou Zhou, Zhou Ziheng, Yingzhe Peng, Xinyu Ye, Xinting Hu, Wenbo Zhu, Lu Qi, Ming-Hsuan Yang, Xu Yang
Abstract: We present a simple yet theoretically motivated improvement to Supervised Fine-Tuning (SFT) for the Large Language Model (LLM), addressing its limited generalization compared to reinforcement learning (RL). Through mathematical analysis, we reveal that standard SFT gradients implicitly encode a problematic reward structure that may severely restrict the generalization capabilities of model. To rectify this, we propose Dynamic Fine-Tuning (DFT), stabilizing gradient updates for each token by dynamically rescaling the objective function with the probability of this token. Remarkably, this single-line code change significantly outperforms standard SFT across multiple challenging benchmarks and base models, demonstrating greatly improved generalization. Additionally, our approach shows competitive results in offline RL settings, offering an effective yet simpler alternative. This work bridges theoretical insight and practical solutions, substantially advancing SFT performance. The code will be available at https://github.com/yongliang-wu/DFT.
Authors: Sara Giordano, Miguel A. Martin-Delgado
Abstract: We have devised an artificial intelligence algorithm with machine reinforcement learning (Q-learning) to construct remarkable entangled states with 4 qubits. This way, the algorithm is able to generate representative states for some of the 49 true SLOCC classes of the four-qubit entanglement states. In particular, it is possible to reach at least one true SLOCC class for each of the nine entanglement families. The quantum circuits synthesized by the algorithm may be useful for the experimental realization of these important classes of entangled states and to draw conclusions about the intrinsic properties of our universe. We introduce a graphical tool called the state-link graph (SLG) to represent the construction of the Quality matrix (Q-matrix) used by the algorithm to build a given objective state belonging to the corresponding entanglement class. This allows us to discover the necessary connections between specific entanglement features and the role of certain quantum gates that the algorithm needs to include in the quantum gate set of actions. The quantum circuits found are optimal by construction with respect to the quantum gate-set chosen. These SLGs make the algorithm simple, intuitive and a useful resource for the automated construction of entangled states with a low number of qubits.
Authors: Ebube Alor, SayedHassan Khatoonabadi, Emad Shihab
Abstract: Large Language Models (LLMs) offer new potential for automating documentation-to-code traceability, yet their capabilities remain underexplored. We present a comprehensive evaluation of LLMs (Claude 3.5 Sonnet, GPT-4o, and o3-mini) in establishing trace links between various software documentation (including API references and user guides) and source code. We create two novel datasets from two open-source projects (Unity Catalog and Crawl4AI). Through systematic experiments, we assess three key capabilities: (1) trace link identification accuracy, (2) relationship explanation quality, and (3) multi-step chain reconstruction. Results show that the best-performing LLM achieves F1-scores of 79.4% and 80.4% across the two datasets, substantially outperforming our baselines (TF-IDF, BM25, and CodeBERT). While fully correct relationship explanations range from 42.9% to 71.1%, partial accuracy exceeds 97%, indicating that fundamental connections are rarely missed. For multi-step chains, LLMs maintain high endpoint accuracy but vary in capturing precise intermediate links. Error analysis reveals that many false positives stem from naming-based assumptions, phantom links, or overgeneralization of architectural patterns. We demonstrate that task-framing, such as a one-to-many matching strategy, is critical for performance. These findings position LLMs as powerful assistants for trace discovery, but their limitations could necessitate human-in-the-loop tool design and highlight specific error patterns for future research.
Authors: Richard Duong, Jannis Chemseddine, Peter K. Friz, Gabriele Steidl
Abstract: We break the mold in flow-based generative modeling by proposing a new model based on the damped wave equation, also known as telegrapher's equation. Similar to the diffusion equation and Brownian motion, there is a Feynman-Kac type relation between the telegrapher's equation and the stochastic Kac process in 1D. The Kac flow evolves stepwise linearly in time, so that the probability flow is Lipschitz continuous in the Wasserstein distance and, in contrast to diffusion flows, the norm of the velocity is globally bounded. Furthermore, the Kac model has the diffusion model as its asymptotic limit. We extend these considerations to a multi-dimensional stochastic process which consists of independent 1D Kac processes in each spatial component. We show that this process gives rise to an absolutely continuous curve in the Wasserstein space and compute the conditional velocity field starting in a Dirac point analytically. Using the framework of flow matching, we train a neural network that approximates the velocity field and use it for sample generation. Our numerical experiments demonstrate the scalability of our approach, and show its advantages over diffusion models.
Authors: Jasmine Latendresse, SayedHassan Khatoonabadi, Emad Shihab
Abstract: Software libraries are central to the functionality, security, and maintainability of modern code. As developers increasingly turn to Large Language Models (LLMs) to assist with programming tasks, understanding how these models recommend libraries is essential. In this paper, we conduct an empirical study of six state-of-the-art LLMs, both proprietary and open-source, by prompting them to solve real-world Python problems sourced from Stack Overflow. We analyze the types of libraries they import, the characteristics of those libraries, and the extent to which the recommendations are usable out of the box. Our results show that LLMs predominantly favour third-party libraries over standard ones, and often recommend mature, popular, and permissively licensed dependencies. However, we also identify gaps in usability: 4.6% of the libraries could not be resolved automatically due to structural mismatches between import names and installable packages, and only two models (out of six) provided installation guidance. While the generated code is technically valid, the lack of contextual support places the burden of manually resolving dependencies on the user. Our findings offer actionable insights for both developers and researchers, and highlight opportunities to improve the reliability and usability of LLM-generated code in the context of software dependencies.
Authors: Alena Chan, Maria Garmonina
Abstract: We evaluate the performance of several optimizers on the task of forecasting S&P 500 Index returns with the MambaStock model. Among the most widely used algorithms, gradient-smoothing and adaptive-rate optimizers (for example, Adam and RMSProp) yield the lowest test errors. In contrast, the Lion optimizer offers notably faster training. To combine these advantages, we introduce a novel family of optimizers, Roaree, that dampens the oscillatory loss behavior often seen with Lion while preserving its training speed.
Authors: Yue Dong, Han Li, Shen Li, Nikhil Patel, Xing Liu, Xiaodong Wang, Chuanhao Zhuge
Abstract: Large-scale recommendation systems are pivotal to process an immense volume of daily user interactions, requiring the effective modeling of high cardinality and heterogeneous features to ensure accurate predictions. In prior work, we introduced Hierarchical Sequential Transducers (HSTU), an attention-based architecture for modeling high cardinality, non-stationary streaming recommendation data, providing good scaling law in the generative recommender framework (GR). Recent studies and experiments demonstrate that attending to longer user history sequences yields significant metric improvements. However, scaling sequence length is activation-heavy, necessitating parallelism solutions to effectively shard activation memory. In transformer-based LLMs, context parallelism (CP) is a commonly used technique that distributes computation along the sequence-length dimension across multiple GPUs, effectively reducing memory usage from attention activations. In contrast, production ranking models typically utilize jagged input tensors to represent user interaction features, introducing unique CP implementation challenges. In this work, we introduce context parallelism with jagged tensor support for HSTU attention, establishing foundational capabilities for scaling up sequence dimensions. Our approach enables a 5.3x increase in supported user interaction sequence length, while achieving a 1.55x scaling factor when combined with Distributed Data Parallelism (DDP).
Authors: Chitranshu Harbola, Anupam Purwar
Abstract: Industrial machinery maintenance requires timely intervention to prevent catastrophic failures and optimize operational efficiency. This paper presents an integrated Large Language Model (LLM)-based intelligent system for prescriptive maintenance that extends beyond traditional anomaly detection to provide actionable maintenance recommendations. Building upon our prior LAMP framework for numerical data analysis, we develop a comprehensive solution that combines bearing vibration frequency analysis with multi agentic generation for intelligent maintenance planning. Our approach serializes bearing vibration data (BPFO, BPFI, BSF, FTF frequencies) into natural language for LLM processing, enabling few-shot anomaly detection with high accuracy. The system classifies fault types (inner race, outer race, ball/roller, cage faults) and assesses severity levels. A multi-agentic component processes maintenance manuals using vector embeddings and semantic search, while also conducting web searches to retrieve comprehensive procedural knowledge and access up-to-date maintenance practices for more accurate and in-depth recommendations. The Gemini model then generates structured maintenance recommendations includes immediate actions, inspection checklists, corrective measures, parts requirements, and timeline specifications. Experimental validation in bearing vibration datasets demonstrates effective anomaly detection and contextually relevant maintenance guidance. The system successfully bridges the gap between condition monitoring and actionable maintenance planning, providing industrial practitioners with intelligent decision support. This work advances the application of LLMs in industrial maintenance, offering a scalable framework for prescriptive maintenance across machinery components and industrial sectors.
Authors: Amulya Bhattaram, Justin Chung, Stanley Chung, Ranit Gupta, Janani Ramamoorthy, Kartikeya Gullapalli, Diana Marculescu, Dimitrios Stamoulis
Abstract: We present GeoFlow, a method that automatically generates agentic workflows for geospatial tasks. Unlike prior work that focuses on reasoning decomposition and leaves API selection implicit, our method provides each agent with detailed tool-calling objectives to guide geospatial API invocation at runtime. GeoFlow increases agentic success by 6.8% and reduces token usage by up to fourfold across major LLM families compared to state-of-the-art approaches.
Authors: Timothy Fei Truong Jr, Tristan Bepler
Abstract: Protein language models (PLMs) learn probability distributions over natural protein sequences. By learning from hundreds of millions of natural protein sequences, protein understanding and design capabilities emerge. Recent works have shown that scaling these models improves structure prediction, but does not seem to improve mutation understanding and representation quality for protein function prediction. We introduce PoET-2, a multimodal, retrieval-augmented protein foundation model that incorporates in-context learning of family-specific evolutionary constraints with optional structure conditioning to learn generative distributions over protein sequences. PoET-2 uses a hierarchical transformer encoder that is equivariant to sequence context ordering and a dual decoder architecture with both causal and masked language modeling objectives, allowing PoET-2 to operate in both fully generative and bidirectional representation learning modes. PoET-2 achieves state-of-the-art performance on zero-shot variant effect prediction, excelling at scoring variants with multiple mutations and challenging indel mutations. In supervised settings, PoET-2 embeddings outperform previous methods for learning sequence-function relationships, especially with small datasets. This work highlights the benefits of combining retrieval augmentation with multimodal, family-centric modeling for advancing protein foundation models.
Authors: Shiyi Du, Litian Liang, Jiayi Li, Carl Kingsford
Abstract: Genomic language models (gLMs) face a fundamental efficiency challenge: either maintain separate specialized models for each biological modality (DNA and RNA) or develop large multi-modal architectures. Both approaches impose significant computational burdens - modality-specific models require redundant infrastructure despite inherent biological connections, while multi-modal architectures demand massive parameter counts and extensive cross-modality pretraining. To address this limitation, we introduce CodonMoE (Adaptive Mixture of Codon Reformative Experts), a lightweight adapter that transforms DNA language models into effective RNA analyzers without RNA-specific pretraining. Our theoretical analysis establishes CodonMoE as a universal approximator at the codon level, capable of mapping arbitrary functions from codon sequences to RNA properties given sufficient expert capacity. Across four RNA prediction tasks spanning stability, expression, and regulation, DNA models augmented with CodonMoE significantly outperform their unmodified counterparts, with HyenaDNA+CodonMoE series achieving state-of-the-art results using 80% fewer parameters than specialized RNA models. By maintaining sub-quadratic complexity while achieving superior performance, our approach provides a principled path toward unifying genomic language modeling, leveraging more abundant DNA data and reducing computational overhead while preserving modality-specific performance advantages.
Authors: Ke Chen, Haohan Wang
Abstract: Modern disease classification often overlooks molecular commonalities hidden beneath divergent clinical presentations. This study introduces a transcriptomics-driven framework for discovering disease relationships by analyzing over 1300 disease-condition pairs using GenoMAS, a fully automated agentic AI system. Beyond identifying robust gene-level overlaps, we develop a novel pathway-based similarity framework that integrates multi-database enrichment analysis to quantify functional convergence across diseases. The resulting disease similarity network reveals both known comorbidities and previously undocumented cross-category links. By examining shared biological pathways, we explore potential molecular mechanisms underlying these connections-offering functional hypotheses that go beyond symptom-based taxonomies. We further show how background conditions such as obesity and hypertension modulate transcriptomic similarity, and identify therapeutic repurposing opportunities for rare diseases like autism spectrum disorder based on their molecular proximity to better-characterized conditions. In addition, this work demonstrates how biologically grounded agentic AI can scale transcriptomic analysis while enabling mechanistic interpretation across complex disease landscapes. All results are publicly accessible at github.com/KeeeeChen/Pathway_Similarity_Network.
Authors: Debanjan Konar, Neerav Sreekumar, Richard Jiang, Vaneet Aggarwal
Abstract: Understanding the molecular-level mechanisms underpinning Alzheimer's disease (AD) by studying crucial genes associated with the disease remains a challenge. Alzheimer's, being a multifactorial disease, requires understanding the gene-gene interactions underlying it for theranostics and progress. In this article, a novel attempt has been made using a quantum regression to decode how some crucial genes in the AD Amyloid Beta Precursor Protein ($APP$), Sterol regulatory element binding transcription factor 14 ($FGF14$), Yin Yang 1 ($YY1$), and Phospholipase D Family Member 3 ($PLD3$) etc. become influenced by other prominent switching genes during disease progression, which may help in gene expression-based therapy for AD. Our proposed Quantum Regression Network (Alz-QNet) introduces a pioneering approach with insights from the state-of-the-art Quantum Gene Regulatory Networks (QGRN) to unravel the gene interactions involved in AD pathology, particularly within the Entorhinal Cortex (EC), where early pathological changes occur. Using the proposed Alz-QNet framework, we explore the interactions between key genes ($APP$, $FGF14$, $YY1$, $EGR1$, $GAS7$, $AKT3$, $SREBF2$, and $PLD3$) within the CE microenvironment of AD patients, studying genetic samples from the database $GSE138852$, all of which are believed to play a crucial role in the progression of AD. Our investigation uncovers intricate gene-gene interactions, shedding light on the potential regulatory mechanisms that underlie the pathogenesis of AD, which help us to find potential gene inhibitors or regulators for theranostics.
Authors: Tianxiang Hu, Chenyi Zhou, Jiaxiang Liu, Jiongxin Wang, Ruizhe Chen, Haoxiang Xia, Gaoang Wang, Jian Wu, Zuozhu Liu
Abstract: Cell type annotation is a fundamental step in the analysis of single-cell RNA sequencing (scRNA-seq) data. In practice, human experts often rely on the structure revealed by principal component analysis (PCA) followed by $k$-nearest neighbor ($k$-NN) graph construction to guide annotation. While effective, this process is labor-intensive and does not scale to large datasets. Recent advances in CLIP-style models offer a promising path toward automating cell type annotation. By aligning scRNA-seq profiles with natural language descriptions, models like LangCell enable zero-shot annotation. While LangCell demonstrates decent zero-shot performance, its predictions remain suboptimal, particularly in achieving consistent accuracy across all cell types. In this paper, we propose to refine the zero-shot logits produced by LangCell through a graph-regularized optimization framework. By enforcing local consistency over the task-specific PCA-based k-NN graph, our method combines the scalability of the pre-trained models with the structural robustness relied upon in expert annotation. We evaluate our approach on 14 annotated human scRNA-seq datasets from 4 distinct studies, spanning 11 organs and over 200,000 single cells. Our method consistently improves zero-shot annotation accuracy, achieving accuracy gains of up to 10%. Further analysis showcase the mechanism by which GRIT effectively propagates correct signals through the graph, pulling back mislabeled cells toward more accurate predictions. The method is training-free, model-agnostic, and serves as a simple yet effective plug-in for enhancing automated cell type annotation in practice.
Authors: Nirjhor Datta, Swakkhar Shatabda, M Sohel Rahman
Abstract: Large pre-trained DNA language models such as DNABERT-2, Nucleotide Transformer, and HyenaDNA have demonstrated strong performance on various genomic benchmarks. However, most applications rely on expensive fine-tuning, which works best when the training and test data share a similar distribution. In this work, we investigate whether task-specific fine-tuning is always necessary. We show that simple embedding-based pipelines that extract fixed representations from these models and feed them into lightweight classifiers can achieve competitive performance. In evaluation settings with different data distributions, embedding-based methods often outperform fine-tuning while reducing inference time by 10x to 20x. Our results suggest that embedding extraction is not only a strong baseline but also a more generalizable and efficient alternative to fine-tuning, especially for deployment in diverse or unseen genomic contexts. For example, in enhancer classification, HyenaDNA embeddings combined with zCurve achieve 0.68 accuracy (vs. 0.58 for fine-tuning), with an 88% reduction in inference time and over 8x lower carbon emissions (0.02 kg vs. 0.17 kg CO2). In non-TATA promoter classification, DNABERT-2 embeddings with zCurve or GC content reach 0.85 accuracy (vs. 0.89 with fine-tuning) with a 22x lower carbon footprint (0.02 kg vs. 0.44 kg CO2). These results show that embedding-based pipelines offer over 10x better carbon efficiency while maintaining strong predictive performance. The code is available here: https://github.com/NIRJHOR-DATTA/EMBEDDING-IS-ALMOST-ALL-YOU-NEED.
URLs: https://github.com/NIRJHOR-DATTA/EMBEDDING-IS-ALMOST-ALL-YOU-NEED.
Authors: MD Shaikh Rahman, Feiroz Humayara, Syed Maudud E Rabbi, Muhammad Mahbubur Rashid
Abstract: Content-based mammographic image retrieval systems require exact BIRADS categorical matching across five distinct classes, presenting significantly greater complexity than binary classification tasks commonly addressed in literature. Current medical image retrieval studies suffer from methodological limitations including inadequate sample sizes, improper data splitting, and insufficient statistical validation that hinder clinical translation. We developed a comprehensive evaluation framework systematically comparing CNN architectures (DenseNet121, ResNet50, VGG16) with advanced training strategies including sophisticated fine-tuning, metric learning, and super-ensemble optimization. Our evaluation employed rigorous stratified data splitting (50%/20%/30% train/validation/test), 602 test queries, and systematic validation using bootstrap confidence intervals with 1,000 samples. Advanced fine-tuning with differential learning rates achieved substantial improvements: DenseNet121 (34.79% precision@10, 19.64% improvement) and ResNet50 (34.54%, 19.58% improvement). Super-ensemble optimization combining complementary architectures achieved 36.33% precision@10 (95% CI: [34.78%, 37.88%]), representing 24.93% improvement over baseline and providing 3.6 relevant cases per query. Statistical analysis revealed significant performance differences between optimization strategies (p<0.001) with large effect sizes (Cohen's d>0.8), while maintaining practical search efficiency (2.8milliseconds). Performance significantly exceeds realistic expectations for 5-class medical retrieval tasks, where literature suggests 20-25% precision@10 represents achievable performance for exact BIRADS matching. Our framework establishes new performance benchmarks while providing evidence-based architecture selection guidelines for clinical deployment in diagnostic support and quality assurance applications.
Authors: Negar Foroutan, Clara Meister, Debjit Paul, Joel Niklaus, Sina Ahmadi, Antoine Bosselut, Rico Sennrich
Abstract: Tokenization is the first -- and often least scrutinized -- step of most NLP pipelines. Standard algorithms for learning tokenizers rely on frequency-based objectives, which favor languages dominant in the training data and consequently leave lower-resource languages with tokenizations that are disproportionately longer, morphologically implausible, or even riddled with
Authors: Michael R. Wartmann, B. Erik Ydstie
Abstract: Most recent advances in machine learning and analytics for process control pose the question of how to naturally integrate new data-driven methods with classical process models and control. We propose a process modeling framework enabling integration of data-driven algorithms through consistent topological properties and conservation of extensive quantities. Interconnections among process network units are represented through connectivity matrices and network graphs. We derive the system's natural objective function equivalent to the non-equilibrium entropy production in a steady state system as a driving force for the process dynamics. We illustrate how distributed control and optimization can be implemented into process network structures and how control laws and algorithms alter the system's natural equilibrium towards engineered objectives. The basic requirement is that the flow conditions can be expressed in terms of conic sector (passivity) conditions. Our formalism allows integration of fundamental conservation properties from topology with learned dynamic relations from data through sparse deep neural networks. We demonstrate in a practical example of a simple inventory control system how to integrate the basic topology of a process with a neural network ordinary differential equation model. The system specific constitutive equations are left undescribed and learned by the neural ordinary differential equation algorithm using the adjoint method in combination with an adaptive ODE solver from synthetic time-series data. The resulting neural network forms a state space model for use in e.g. a model predictive control algorithm.
Authors: Yuxuan Tao, Adel Javanmard
Abstract: We introduce a novel privatization framework for high-dimensional controlled variable selection. Our framework enables rigorous False Discovery Rate (FDR) control under differential privacy constraints. While the Model-X knockoff procedure provides FDR guarantees by constructing provably exchangeable ``negative control" features, existing privacy mechanisms like Laplace or Gaussian noise injection disrupt its core exchangeability conditions. Our key innovation lies in privatizing the data knockoff matrix through the Gaussian Johnson-Lindenstrauss Transformation (JLT), a dimension reduction technique that simultaneously preserves covariate relationships through approximate isometry for $(\epsilon,\delta)$-differential privacy. We theoretically characterize both FDR and the power of the proposed private variable selection procedure, in an asymptotic regime. Our theoretical analysis characterizes the role of different factors, such as the JLT's dimension reduction ratio, signal-to-noise ratio, differential privacy parameters, sample size and feature dimension, in shaping the privacy-power trade-off. Our analysis is based on a novel `debiasing technique' for high-dimensional private knockoff procedure. We further establish sufficient conditions under which the power of the proposed procedure converges to one. This work bridges two critical paradigms -- knockoff-based FDR control and private data release -- enabling reliable variable selection in sensitive domains. Our analysis demonstrates that structural privacy preservation through random projections outperforms the classical noise addition mechanism, maintaining statistical power even under strict privacy budgets.
Authors: Mayra Sofia Ruiz Rodriguez, SayedHassan Khatoonabadi, Emad Shihab
Abstract: Logging is essential in software development, helping developers monitor system behavior and aiding in debugging applications. Given the ability of large language models (LLMs) to generate natural language and code, researchers are exploring their potential to generate log statements. However, prior work focuses on evaluating logs introduced in code functions, leaving file-level log generation underexplored -- especially in machine learning (ML) applications, where comprehensive logging can enhance reliability. In this study, we evaluate the capacity of GPT-4o mini as a case study to generate log statements for ML projects at file level. We gathered a set of 171 ML repositories containing 4,073 Python files with at least one log statement. We identified and removed the original logs from the files, prompted the LLM to generate logs for them, and evaluated both the position of the logs and log level, variables, and text quality of the generated logs compared to human-written logs. In addition, we manually analyzed a representative sample of generated logs to identify common patterns and challenges. We find that the LLM introduces logs in the same place as humans in 63.91% of cases, but at the cost of a high overlogging rate of 82.66%. Furthermore, our manual analysis reveals challenges for file-level logging, which shows overlogging at the beginning or end of a function, difficulty logging within large code blocks, and misalignment with project-specific logging conventions. While the LLM shows promise for generating logs for complete files, these limitations remain to be addressed for practical implementation.
Authors: Seungyong Lee, Jeong-gi Kwak
Abstract: Virtual try-on aims to synthesize a realistic image of a person wearing a target garment, but accurately modeling garment-body correspondence remains a persistent challenge, especially under pose and appearance variation. In this paper, we propose Voost - a unified and scalable framework that jointly learns virtual try-on and try-off with a single diffusion transformer. By modeling both tasks jointly, Voost enables each garment-person pair to supervise both directions and supports flexible conditioning over generation direction and garment category, enhancing garment-body relational reasoning without task-specific networks, auxiliary losses, or additional labels. In addition, we introduce two inference-time techniques: attention temperature scaling for robustness to resolution or mask variation, and self-corrective sampling that leverages bidirectional consistency between tasks. Extensive experiments demonstrate that Voost achieves state-of-the-art results on both try-on and try-off benchmarks, consistently outperforming strong baselines in alignment accuracy, visual fidelity, and generalization.
Authors: Nicolas Flores, Daniel Salas Mula, Wenle Xu, Sahu Bibhu, Daniel Lewis, Alexandra Eve Salinas, Samantha Mitra, Raj Mahat, Surya R. Kalidindi, Justin Wilkerson, James Paramore, Ankit Srivastiva, George Pharr, Douglas Allaire, Ibrahim Karaman, Brady Butler, Vahid Attari, Raymundo Arroyave
Abstract: Structural High Entropy Alloys (HEAs) are crucial in advancing technology across various sectors, including aerospace, automotive, and defense industries. However, the scarcity of integrated chemistry, process, structure, and property data presents significant challenges for predictive property modeling. Given the vast design space of these alloys, uncovering the underlying patterns is essential yet difficult, requiring advanced methods capable of learning from limited and heterogeneous datasets. This work presents several sensitivity analyses, highlighting key elemental contributions to mechanical behavior, including insights into the compositional factors associated with brittle and fractured responses observed during nanoindentation testing in the BIRDSHOT center NiCoFeCrVMnCuAl system dataset. Several encoder decoder based chemistry property models, carefully tuned through Bayesian multi objective hyperparameter optimization, are evaluated for mapping alloy composition to six mechanical properties. The models achieve competitive or superior performance to conventional regressors across all properties, particularly for yield strength and the UTS/YS ratio, demonstrating their effectiveness in capturing complex composition property relationships.
Authors: Mahdi Nazari Ashani, Ali Asghar Alesheikh, Saba Kazemi, Kimya Kheirkhah, Yasin Mohammadi, Fatemeh Rezaie, Amir Mahdi Manafi, Hedieh Zarkesh
Abstract: Autonomous web-based geographical information systems (AWebGIS) aim to perform geospatial operations from natural language input, providing intuitive, intelligent, and hands-free interaction. However, most current solutions rely on cloud-based large language models (LLMs), which require continuous internet access and raise users' privacy and scalability issues due to centralized server processing. This study compares three approaches to enabling AWebGIS: (1) a fully-automated online method using cloud-based LLMs (e.g., Cohere); (2) a semi-automated offline method using classical machine learning classifiers such as support vector machine and random forest; and (3) a fully autonomous offline (client-side) method based on a fine-tuned small language model (SLM), specifically T5-small model, executed in the client's web browser. The third approach, which leverages SLMs, achieved the highest accuracy among all methods, with an exact matching accuracy of 0.93, Levenshtein similarity of 0.99, and recall-oriented understudy for gisting evaluation ROUGE-1 and ROUGE-L scores of 0.98. Crucially, this client-side computation strategy reduces the load on backend servers by offloading processing to the user's device, eliminating the need for server-based inference. These results highlight the feasibility of browser-executable models for AWebGIS solutions.
Authors: Yael Segal-Feldman, Ann R. Bradlow, Matthew Goldrick, Joseph Keshet
Abstract: Open-vocabulary keyword spotting (KWS) refers to the task of detecting words or terms within speech recordings, regardless of whether they were included in the training data. This paper introduces an open-vocabulary keyword spotting model with state-of-the-art detection accuracy for small-footprint devices. The model is composed of a speech encoder, a target keyword encoder, and a detection network. The speech encoder is either a tiny Whisper or a tiny Conformer. The target keyword encoder is implemented as a hyper-network that takes the desired keyword as a character string and generates a unique set of weights for a convolutional layer, which can be considered as a keyword-specific matched filter. The detection network uses the matched-filter weights to perform a keyword-specific convolution, which guides the cross-attention mechanism of a Perceiver module in determining whether the target term appears in the recording. The results indicate that our system achieves state-of-the-art detection performance and generalizes effectively to out-of-domain conditions, including second-language (L2) speech. Notably, our smallest model, with just 4.2 million parameters, matches or outperforms models that are several times larger, demonstrating both efficiency and robustness.
Authors: Ilyas Fatkhullin, Florian H\"ubler, Guanghui Lan
Abstract: Stochastic Gradient Descent (SGD) is a cornerstone of large-scale optimization, yet its theoretical behavior under heavy-tailed noise -- common in modern machine learning and reinforcement learning -- remains poorly understood. In this work, we rigorously investigate whether vanilla SGD, devoid of any adaptive modifications, can provably succeed under such adverse stochastic conditions. Assuming only that stochastic gradients have bounded $p$-th moments for some $p \in (1, 2]$, we establish sharp convergence guarantees for (projected) SGD across convex, strongly convex, and non-convex problem classes. In particular, we show that SGD achieves minimax optimal sample complexity under minimal assumptions in the convex and strongly convex regimes: $\mathcal{O}(\varepsilon^{-\frac{p}{p-1}})$ and $\mathcal{O}(\varepsilon^{-\frac{p}{2(p-1)}})$, respectively. For non-convex objectives under H\"older smoothness, we prove convergence to a stationary point with rate $\mathcal{O}(\varepsilon^{-\frac{2p}{p-1}})$, and complement this with a matching lower bound specific to SGD with arbitrary polynomial step-size schedules. Finally, we consider non-convex Mini-batch SGD under standard smoothness and bounded central moment assumptions, and show that it also achieves a comparable $\mathcal{O}(\varepsilon^{-\frac{2p}{p-1}})$ sample complexity with a potential improvement in the smoothness constant. These results challenge the prevailing view that heavy-tailed noise renders SGD ineffective, and establish vanilla SGD as a robust and theoretically principled baseline -- even in regimes where the variance is unbounded.
Authors: Wafeeq Jaleel, Md Ragib Rownak, Athar Hanif, Sidra Ghayour Bhatti, Qadeer Ahmed
Abstract: As hybrid electric vehicles (HEVs) gain traction in heavy-duty trucks, adaptive and efficient energy management is critical for reducing fuel consumption while maintaining battery charge for long operation times. We present a new reinforcement learning (RL) framework based on the Soft Actor-Critic (SAC) algorithm to optimize engine control in series HEVs. We reformulate the control task as a sequential decision-making problem and enhance SAC by incorporating Gated Recurrent Units (GRUs) and Decision Transformers (DTs) into both actor and critic networks to capture temporal dependencies and improve planning over time. To evaluate robustness and generalization, we train the models under diverse initial battery states, drive cycle durations, power demands, and input sequence lengths. Experiments show that the SAC agent with a DT-based actor and GRU-based critic was within 1.8% of Dynamic Programming (DP) in fuel savings on the Highway Fuel Economy Test (HFET) cycle, while the SAC agent with GRUs in both actor and critic networks, and FFN actor-critic agent were within 3.16% and 3.43%, respectively. On unseen drive cycles (US06 and Heavy Heavy-Duty Diesel Truck (HHDDT) cruise segment), generalized sequence-aware agents consistently outperformed feedforward network (FFN)-based agents, highlighting their adaptability and robustness in real-world settings.
Authors: Leo Zhang
Abstract: In this work, we study the problem of choosing the discretisation schedule for sampling from masked discrete diffusion models in terms of the information geometry of the induced probability path. Specifically, we show that the optimal schedule under the Fisher-Rao geometry recovers the popularly-used cosine schedule.
Authors: Suchisrit Gangopadhyay, Jung-Hee Kim, Xien Chen, Patrick Rim, Hyoungseob Park, Alex Wong
Abstract: We propose a method to extend foundational monocular depth estimators (FMDEs), trained on perspective images, to fisheye images. Despite being trained on tens of millions of images, FMDEs are susceptible to the covariate shift introduced by changes in camera calibration (intrinsic, distortion) parameters, leading to erroneous depth estimates. Our method aligns the distribution of latent embeddings encoding fisheye images to those of perspective images, enabling the reuse of FMDEs for fisheye cameras without retraining or finetuning. To this end, we introduce a set of Calibration Tokens as a light-weight adaptation mechanism that modulates the latent embeddings for alignment. By exploiting the already expressive latent space of FMDEs, we posit that modulating their embeddings avoids the negative impact of artifacts and loss introduced in conventional recalibration or map projection to a canonical reference frame in the image space. Our method is self-supervised and does not require fisheye images but leverages publicly available large-scale perspective image datasets. This is done by recalibrating perspective images to fisheye images, and enforcing consistency between their estimates during training. We evaluate our approach with several FMDEs, on both indoors and outdoors, where we consistently improve over state-of-the-art methods using a single set of tokens for both. Code available at: https://github.com/JungHeeKim29/calibration-token.
Authors: Bo Deng, Levi Heath
Abstract: In this paper, we describe a feedforward artificial neural network trained on the ImageNet 2012 contest dataset [7] with the new method of [5] to an accuracy rate of 98.3% with a 99.69 Top-1 rate, and an average of 285.9 labels that are perfectly classified over the 10 batch partitions of the dataset. The best performing model uses 322,430,160 parameters, with 4 decimal places precision. We conjecture that the reason our model does not achieve a 100% accuracy rate is due to a double-labeling problem, by which there are duplicate images in the dataset with different labels.
Authors: Yubin Zhang, Yanhua Huang, Haiming Xu, Mingliang Qi, Chang Wang, Jiarui Jin, Xiangyuan Ren, Xiaodan Wang, Ruiwen Xu
Abstract: Multimodal recommendation has emerged as a critical technique in modern recommender systems, leveraging content representations from advanced multimodal large language models (MLLMs). To ensure these representations are well-adapted, alignment with the recommender system is essential. However, evaluating the alignment of MLLMs for recommendation presents significant challenges due to three key issues: (1) static benchmarks are inaccurate because of the dynamism in real-world applications, (2) evaluations with online system, while accurate, are prohibitively expensive at scale, and (3) conventional metrics fail to provide actionable insights when learned representations underperform. To address these challenges, we propose the Leakage Impact Score (LIS), a novel metric for multimodal recommendation. Rather than directly assessing MLLMs, LIS efficiently measures the upper bound of preference data. We also share practical insights on deploying MLLMs with LIS in real-world scenarios. Online A/B tests on both Content Feed and Display Ads of Xiaohongshu's Explore Feed production demonstrate the effectiveness of our proposed method, showing significant improvements in user spent time and advertiser value.
Authors: Zhaowei Wang, Yunsong Huang, Weicheng Liu, Hui-Ming Wang
Abstract: The utilization of radio frequency (RF) signals for wireless sensing has garnered increasing attention. However, the radio environment is unpredictable and often unfavorable, the sensing accuracy of traditional RF sensing methods is often affected by adverse propagation channels from the transmitter to the receiver, such as fading and noise. In this paper, we propose employing distributed Reconfigurable Intelligent Metasurface Antennas (RIMSA) to detect the presence and location of objects where multiple RIMSA receivers (RIMSA Rxs) are deployed on different places. By programming their beamforming patterns, RIMSA Rxs can enhance the quality of received signals. The RF sensing problem is modeled as a joint optimization problem of beamforming pattern and mapping of received signals to sensing outcomes. To address this challenge, we introduce a deep reinforcement learning (DRL) algorithm aimed at calculating the optimal beamforming patterns and a neural network aimed at converting received signals into sensing outcomes. In addition, the malicious attacker may potentially launch jamming attack to disrupt sensing process. To enable effective sensing in interferenceprone environment, we devise a combined loss function that takes into account the Signal to Interference plus Noise Ratio (SINR) of the received signals. The simulation results show that the proposed distributed RIMSA system can achieve more efficient sensing performance and better overcome environmental influences than centralized implementation. Furthermore, the introduced method ensures high-accuracy sensing performance even under jamming attack.
Authors: Roy T. Forestano, Konstantin T. Matchev, Katia Matcheva, Eyup B. Unlu
Abstract: Standard Bayesian retrievals for exoplanet atmospheric parameters from transmission spectroscopy, while well understood and widely used, are generally computationally expensive. In the era of the JWST and other upcoming observatories, machine learning approaches have emerged as viable alternatives that are both efficient and robust. In this paper we present a systematic study of several existing machine learning regression techniques and compare their performance for retrieving exoplanet atmospheric parameters from transmission spectra. We benchmark the performance of the different algorithms on the accuracy, precision, and speed. The regression methods tested here include partial least squares (PLS), support vector machines (SVM), k nearest neighbors (KNN), decision trees (DT), random forests (RF), voting (VOTE), stacking (STACK), and extreme gradient boosting (XGB). We also investigate the impact of different preprocessing methods of the training data on the model performance. We quantify the model uncertainties across the entire dynamical range of planetary parameters. The best performing combination of ML model and preprocessing scheme is validated on a the case study of JWST observation of WASP-39b.
Authors: Shivani Mall, Joao F. Henriques
Abstract: Continual learning (CL) promises to allow neural networks to learn from continuous streams of inputs, instead of IID (independent and identically distributed) sampling, which requires random access to a full dataset. This would allow for much smaller storage requirements and self-sufficiency of deployed systems that cope with natural distribution shifts, similarly to biological learning. We focus on video CL employing a rehearsal-based approach, which reinforces past samples from a memory buffer. We posit that part of the reason why practical video CL is challenging is the high memory requirements of video, further exacerbated by long-videos and continual streams, which are at odds with the common rehearsal-buffer size constraints. To address this, we propose to use compressed vision, i.e. store video codes (embeddings) instead of raw inputs, and train a video classifier by IID sampling from this rolling buffer. Training a video compressor online (so not depending on any pre-trained networks) means that it is also subject to catastrophic forgetting. We propose a scheme to deal with this forgetting by refreshing video codes, which requires careful decompression with a previous version of the network and recompression with a new one. We name our method Continually Refreshed Amodal Memory (CRAM). We expand current video CL benchmarks to large-scale settings, namely EpicKitchens-100 and Kinetics-700, storing thousands of relatively long videos in under 2 GB, and demonstrate empirically that our video CL method outperforms prior art with a significantly reduced memory footprint.
Authors: Sadia Kamal, Tim Oates, Joy Wan
Abstract: Skin carcinoma is the most prevalent form of cancer globally, accounting for over $8 billion in annual healthcare expenditures. Early diagnosis, accurate and timely treatment are critical to improving patient survival rates. In clinical settings, physicians document patient visits using detailed SOAP (Subjective, Objective, Assessment, and Plan) notes. However, manually generating these notes is labor-intensive and contributes to clinician burnout. In this work, we propose skin-SOAP, a weakly supervised multimodal framework to generate clinically structured SOAP notes from limited inputs, including lesion images and sparse clinical text. Our approach reduces reliance on manual annotations, enabling scalable, clinically grounded documentation while alleviating clinician burden and reducing the need for large annotated data. Our method achieves performance comparable to GPT-4o, Claude, and DeepSeek Janus Pro across key clinical relevance metrics. To evaluate this clinical relevance, we introduce two novel metrics MedConceptEval and Clinical Coherence Score (CCS) which assess semantic alignment with expert medical concepts and input features, respectively.
Authors: Arabat, Ali, Sayagh, Mohammed, Hassine, Jameleddine
Abstract: As software systems grow in complexity, accurately identifying and managing dependencies among changes becomes increasingly critical. For instance, a change that leverages a function must depend on the change that introduces it. Establishing such dependencies allows CI/CD pipelines to build and orchestrate changes effectively, preventing build failures and incomplete feature deployments. In modern software systems, dependencies often span multiple components across teams, creating challenges for development and deployment. They serve various purposes, from enabling new features to managing configurations, and can even involve traditionally independent changes like documentation updates. To address these challenges, we conducted a preliminary study on dependency management in OpenStack, a large-scale software system. Our study revealed that a substantial portion of software changes in OpenStack over the past 10 years are interdependent. Surprisingly, 51.08% of these dependencies are identified during the code review phase-after a median delay of 5.06 hours-rather than at the time of change creation. Developers often spend a median of 57.12 hours identifying dependencies, searching among a median of 463 other changes. To help developers proactively identify dependencies, we propose a semi-automated approach that leverages two ML models. The first model predicts the likelihood of dependencies among changes, while the second identifies the exact pairs of dependent changes. Our proposed models demonstrate strong performance, achieving average AUC scores of 79.33% and 91.89%, and Brier scores of 0.11 and 0.014, respectively. Indeed, the second model has a good top-k recall across all types of pairs, while the top-k precision has room for improvement.
Authors: Chi-Sheng Chen, Samuel Yen-Chi Chen
Abstract: Time series forecasting is vital in domains where data sensitivity is paramount, such as finance and energy systems. While Differential Privacy (DP) provides theoretical guarantees to protect individual data contributions, its integration especially via DP-SGD often impairs model performance due to injected noise. In this paper, we propose Q-DPTS, a hybrid quantum-classical framework for Quantum Differentially Private Time Series Forecasting. Q-DPTS combines Variational Quantum Circuits (VQCs) with per-sample gradient clipping and Gaussian noise injection, ensuring rigorous $(\epsilon, \delta)$-differential privacy. The expressiveness of quantum models enables improved robustness against the utility loss induced by DP mechanisms. We evaluate Q-DPTS on the ETT (Electricity Transformer Temperature) dataset, a standard benchmark for long-term time series forecasting. Our approach is compared against both classical and quantum baselines, including LSTM, QASA, QRWKV, and QLSTM. Results demonstrate that Q-DPTS consistently achieves lower prediction error under the same privacy budget, indicating a favorable privacy-utility trade-off. This work presents one of the first explorations into quantum-enhanced differentially private forecasting, offering promising directions for secure and accurate time series modeling in privacy-critical scenarios.
Authors: Frank Nielsen
Abstract: The geometric Jensen--Shannon divergence (G-JSD) gained popularity in machine learning and information sciences thanks to its closed-form expression between Gaussian distributions. In this work, we introduce an alternative definition of the geometric Jensen--Shannon divergence tailored to positive densities which does not normalize geometric mixtures. This novel divergence is termed the extended G-JSD as it extends to more general positive measures. We give explicitly the gap between the extended G-JSD and G-JSD when considering probability densities, and report both lower and upper bounds in terms of other statistical divergences. We derive corresponding closed-form expressions when considering the case of multivariate Gaussian distributions often met in applications. Finally, we show that these two types of geometric JSDs, the G-JSD and the extended G-JSD, can be interpreted as regularizations of the ordinary JSD by additive terms.
Authors: Ruiyu Li, Changyuan Qiu, Hangrui Cao, Qihan Ren, Yuqing Qiu
Abstract: Image colorization, the task of adding colors to grayscale images, has been the focus of significant research efforts in computer vision in recent years for its various application areas such as color restoration and automatic animation colorization [15, 1]. The colorization problem is challenging as it is highly ill-posed with two out of three image dimensions lost, resulting in large degrees of freedom. However, semantics of the scene as well as the surface texture could provide important cues for colors: the sky is typically blue, the clouds are typically white and the grass is typically green, and there are huge amounts of training data available for learning such priors since any colored image could serve as a training data point [20]. Colorization is initially formulated as a regression task[5], which ignores the multi-modal nature of color prediction. In this project, we explore automatic image colorization via classification and adversarial learning. We will build our models on prior works, apply modifications for our specific scenario and make comparisons.
Authors: M. Lautaro Hickmann (Institute for AI Safety and Security, German Aerospace Center), Pedro Alves (Institute for AI Safety and Security, German Aerospace Center), David Quero (Institute of Aeroelasticity, German Aerospace Center), Friedhelm Schwenker (Institute of Neural Information Processing, University of Ulm, Ulm, Germany), Hans-Martin Rieser (Institute for AI Safety and Security, German Aerospace Center)
Abstract: We investigate the application of hybrid quantum tensor networks to aeroelastic problems, harnessing the power of Quantum Machine Learning (QML). By combining tensor networks with variational quantum circuits, we demonstrate the potential of QML to tackle complex time series classification and regression tasks. Our results showcase the ability of hybrid quantum tensor networks to achieve high accuracy in binary classification. Furthermore, we observe promising performance in regressing discrete variables. While hyperparameter selection remains a challenge, requiring careful optimisation to unlock the full potential of these models, this work contributes significantly to the development of QML for solving intricate problems in aeroelasticity. We present an end-to-end trainable hybrid algorithm. We first encode time series into tensor networks to then utilise trainable tensor networks for dimensionality reduction, and convert the resulting tensor to a quantum circuit in the encoding step. Then, a tensor network inspired trainable variational quantum circuit is applied to solve either a classification or a multivariate or univariate regression task in the aeroelasticity domain.
Authors: Lishui Fan, Yu Zhang, Mouxiang Chen, Zhongxin Liu
Abstract: Reinforcement learning (RL) has significantly advanced code generation for large language models (LLMs). However, current paradigms rely on outcome-based rewards from test cases, neglecting the quality of the intermediate reasoning process. While supervising the reasoning process directly is a promising direction, it is highly susceptible to reward hacking, where the policy model learns to exploit the reasoning reward signal without improving final outcomes. To address this, we introduce a unified framework that can effectively incorporate the quality of the reasoning process during RL. First, to enable reasoning evaluation, we develop LCB-RB, a benchmark comprising preference pairs of superior and inferior reasoning processes. Second, to accurately score reasoning quality, we introduce an Optimized-Degraded based (OD-based) method for reward model training. This method generates high-quality preference pairs by systematically optimizing and degrading initial reasoning paths along curated dimensions of reasoning quality, such as factual accuracy, logical rigor, and coherence. A 7B parameter reward model with this method achieves state-of-the-art (SOTA) performance on LCB-RB and generalizes well to other benchmarks. Finally, we introduce Posterior-GRPO (P-GRPO), a novel RL method that conditions process-based rewards on task success. By selectively applying rewards to the reasoning processes of only successful outcomes, P-GRPO effectively mitigates reward hacking and aligns the model's internal reasoning with final code correctness. A 7B parameter model with P-GRPO achieves superior performance across diverse code generation tasks, outperforming outcome-only baselines by 4.5%, achieving comparable performance to GPT-4-Turbo. We further demonstrate the generalizability of our approach by extending it to mathematical tasks. Our models, dataset, and code are publicly available.
Authors: Zhiqing Xiao, Haobo Wang, Xu Lu, Wentao Ye, Gang Chen, Junbo Zhao
Abstract: Domain Adaptation (DA) aims to transfer knowledge from a labeled source domain to an unlabeled or sparsely labeled target domain under domain shifts. Most prior works focus on capturing the inter-domain transferability but largely overlook rich intra-domain structures, which empirically results in even worse discriminability. To tackle this tradeoff, we propose a generalized graph SPectral Alignment framework, SPA++. Its core is briefly condensed as follows: (1)-by casting the DA problem to graph primitives, it composes a coarse graph alignment mechanism with a novel spectral regularizer toward aligning the domain graphs in eigenspaces; (2)-we further develop a fine-grained neighbor-aware propagation mechanism for enhanced discriminability in the target domain; (3)-by incorporating data augmentation and consistency regularization, SPA++ can adapt to complex scenarios including most DA settings and even challenging distribution scenarios. Furthermore, we also provide theoretical analysis to support our method, including the generalization bound of graph-based DA and the role of spectral alignment and smoothing consistency. Extensive experiments on benchmark datasets demonstrate that SPA++ consistently outperforms existing cutting-edge methods, achieving superior robustness and adaptability across various challenging adaptation scenarios.
Authors: Ziliang Shen, Caixing Wang, Shaoli Wang, Yibo Yan
Abstract: With the development of big data and machine learning, privacy concerns have become increasingly critical, especially when handling heterogeneous datasets containing sensitive personal information. Differential privacy provides a rigorous framework for safeguarding individual privacy while enabling meaningful statistical analysis. In this paper, we propose a differentially private quantile regression method for high-dimensional data in a distributed setting. Quantile regression is a powerful and robust tool for modeling the relationships between the covariates and responses in the presence of outliers or heavy-tailed distributions. To address the computational challenges due to the non-smoothness of the quantile loss function, we introduce a Newton-type transformation that reformulates the quantile regression task into an ordinary least squares problem. Building on this, we develop a differentially private estimation algorithm with iterative updates, ensuring both near-optimal statistical accuracy and formal privacy guarantees. For inference, we further propose a differentially private debiased estimator, which enables valid confidence interval construction and hypothesis testing. Additionally, we propose a communication-efficient and differentially private bootstrap for simultaneous hypothesis testing in high-dimensional quantile regression, suitable for distributed settings with both small and abundant local data. Extensive simulations demonstrate the robustness and effectiveness of our methods in practical scenarios.
Authors: Xiao Wang, Liye Jin, Xufeng Lou, Shiao Wang, Lan Chen, Bo Jiang, Zhipeng Zhang
Abstract: Vision-language tracking has received increasing attention in recent years, as textual information can effectively address the inflexibility and inaccuracy associated with specifying the target object to be tracked. Existing works either directly fuse the fixed language with vision features or simply modify using attention, however, their performance is still limited. Recently, some researchers have explored using text generation to adapt to the variations in the target during tracking, however, these works fail to provide insights into the model's reasoning process and do not fully leverage the advantages of large models, which further limits their overall performance. To address the aforementioned issues, this paper proposes a novel reasoning-based vision-language tracking framework, named ReasoningTrack, based on a pre-trained vision-language model Qwen2.5-VL. Both SFT (Supervised Fine-Tuning) and reinforcement learning GRPO are used for the optimization of reasoning and language generation. We embed the updated language descriptions and feed them into a unified tracking backbone network together with vision features. Then, we adopt a tracking head to predict the specific location of the target object. In addition, we propose a large-scale long-term vision-language tracking benchmark dataset, termed TNLLT, which contains 200 video sequences. 20 baseline visual trackers are re-trained and evaluated on this dataset, which builds a solid foundation for the vision-language visual tracking task. Extensive experiments on multiple vision-language tracking benchmark datasets fully validated the effectiveness of our proposed reasoning-based natural language generation strategy. The source code of this paper will be released on https://github.com/Event-AHU/Open_VLTrack
Authors: Yiheng Liu, Junhao Ning, Sichen Xia, Xiaohui Gao, Ning Qiang, Bao Ge, Junwei Han, Xintao Hu
Abstract: Structured pruning is one of the representative techniques for compressing large language models (LLMs) to reduce GPU memory consumption and accelerate inference speed. It offers significant practical value in improving the efficiency of LLMs in real-world applications. Current structured pruning methods typically rely on assessment of the importance of the structure units and pruning the units with less importance. Most of them overlooks the interaction and collaboration among artificial neurons that are crucial for the functionalities of LLMs, leading to a disruption in the macro functional architecture of LLMs and consequently a pruning performance degradation. Inspired by the inherent similarities between artificial neural networks and functional neural networks in the human brain, we alleviate this challenge and propose to prune LLMs by identifying and preserving functional networks within LLMs in this study. To achieve this, we treat an LLM as a digital brain and decompose the LLM into functional networks, analogous to identifying functional brain networks in neuroimaging data. Afterwards, an LLM is pruned by preserving the key neurons within these functional networks. Experimental results demonstrate that the proposed method can successfully identify and locate functional networks and key neurons in LLMs, enabling efficient model pruning. Our code is available at https://github.com/WhatAboutMyStar/LLM_ACTIVATION.
Authors: Basna Mohammed Salih Hasan, Ramadhan J. Mstafa
Abstract: Gender classification is attractive in a range of applications, including surveillance and monitoring, corporate profiling, and human-computer interaction. Individuals' identities may be gleaned from information about their gender, which is a kind of soft biometric.Over the years, several methods for determining a person's gender have been devised. Some of the most well-known ones are based on physical characteristics like face, fingerprint, palmprint, DNA, ears, gait, and iris. On the other hand, facial features account for the vast majority of gender classification methods. Also, the iris is a significant biometric trait because the iris, according to research, remains basically constant during an individual's life. Besides that, the iris is externally visible and is non-invasive to the user, which is important for practical applications. Furthermore, there are already high-quality methods for segmenting and encoding iris images, and the current methods facilitate selecting and extracting attribute vectors from iris textures. This study discusses several approaches to determining gender. The previous works of literature are briefly reviewed. Additionally, there are a variety of methodologies for different steps of gender classification. This study provides researchers with knowledge and analysis of the existing gender classification approaches. Also, it will assist researchers who are interested in this specific area, as well as highlight the gaps and challenges in the field, and finally provide suggestions and future paths for improvement.
Authors: Pradeep Kumar Shukla, Tanujit Chakraborty, Mustafa Sari, Joel Sarout, Partha Pratim Mandal
Abstract: This study provides an in-depth analysis of time series forecasting methods to predict the time-dependent deformation trend (also known as creep) of salt rock under varying confining pressure conditions. Creep deformation assessment is essential for designing and operating underground storage facilities for nuclear waste, hydrogen energy, or radioactive materials. Salt rocks, known for their mechanical properties like low porosity, low permeability, high ductility, and exceptional creep and self-healing capacities, were examined using multi-stage triaxial (MSTL) creep data. After resampling, axial strain datasets were recorded at 5--10 second intervals under confining pressure levels ranging from 5 to 35 MPa over 5.8--21 days. Initial analyses, including Seasonal-Trend Decomposition (STL) and Granger causality tests, revealed minimal seasonality and causality between axial strain and temperature data. Further statistical tests, such as the Augmented Dickey-Fuller (ADF) test, confirmed the stationarity of the data with p-values less than 0.05, and wavelet coherence plot (WCP) analysis indicated repeating trends. A suite of deep neural network (DNN) models (Neural Basis Expansion Analysis for Time Series (N-BEATS), Temporal Convolutional Networks (TCN), Recurrent Neural Networks (RNN), and Transformers (TF)) was utilized and compared against statistical baseline models. Predictive performance was evaluated using Root Mean Square Error (RMSE), Mean Absolute Error (MAE), Mean Absolute Percentage Error (MAPE), and Symmetric Mean Absolute Percentage Error (SMAPE). Results demonstrated that N-BEATS and TCN models outperformed others across various stress levels, respectively. DNN models, particularly N-BEATS and TCN, showed a 15--20\% improvement in accuracy over traditional analytical models, effectively capturing complex temporal dependencies and patterns.
Authors: Jiazheng Zhang, Cheng Liu, Huawei Li
Abstract: Despite the promising potential of large language model (LLM) based register-transfer-level (RTL) code generation, the overall success rate remains unsatisfactory. Errors arise from various factors, with limited understanding of specific failure causes hindering improvement. To address this, we conduct a comprehensive error analysis and manual categorization. Our findings reveal that most errors stem not from LLM reasoning limitations, but from insufficient RTL programming knowledge, poor understanding of circuit concepts, ambiguous design descriptions, or misinterpretation of complex multimodal inputs. Leveraging in-context learning, we propose targeted error correction techniques. Specifically, we construct a domain-specific knowledge base and employ retrieval-augmented generation (RAG) to supply necessary RTL knowledge. To mitigate ambiguity errors, we introduce design description rules and implement a rule-checking mechanism. For multimodal misinterpretation, we integrate external tools to convert inputs into LLM-compatible meta-formats. For remaining errors, we adopt an iterative debugging loop (simulation-error localization-correction). Integrating these techniques into an LLM-based framework significantly improves performance. We incorporate these error correction techniques into a foundational LLM-based RTL code generation framework, resulting in significantly improved performance. Experimental results show that our enhanced framework achieves 91.0\% accuracy on the VerilogEval benchmark, surpassing the baseline code generation approach by 32.7\%, demonstrating the effectiveness of our methods.
Authors: Sahar Salimpour, Lei Fu, Farhad Keramat, Leonardo Militano, Giovanni Toffetti, Harry Edelman, Jorge Pe\~na Queralta
Abstract: Foundation models, including large language models (LLMs) and vision-language models (VLMs), have recently enabled novel approaches to robot autonomy and human-robot interfaces. In parallel, vision-language-action models (VLAs) or large behavior models (BLMs) are increasing the dexterity and capabilities of robotic systems. This survey paper focuses on those words advancing towards agentic applications and architectures. This includes initial efforts exploring GPT-style interfaces to tooling, as well as more complex system where AI agents are coordinators, planners, perception actors, or generalist interfaces. Such agentic architectures allow robots to reason over natural language instructions, invoke APIs, plan task sequences, or assist in operations and diagnostics. In addition to peer-reviewed research, due to the fast-evolving nature of the field, we highlight and include community-driven projects, ROS packages, and industrial frameworks that show emerging trends. We propose a taxonomy for classifying model integration approaches and present a comparative analysis of the role that agents play in different solutions in today's literature.
Authors: Jiameng Huang, Baijiong Lin, Guhao Feng, Jierun Chen, Di He, Lu Hou
Abstract: Recent Large Reasoning Language Models (LRLMs) employ long chain-of-thought reasoning with complex reflection behaviors, typically signaled by specific trigger words (e.g., "Wait" and "Alternatively") to enhance performance. However, these reflection behaviors can lead to the overthinking problem where the generation of redundant reasoning steps that unnecessarily increase token usage, raise inference costs, and reduce practical utility. In this paper, we propose Certainty-Guided Reflection Suppression (CGRS), a novel method that mitigates overthinking in LRLMs while maintaining reasoning accuracy. CGRS operates by dynamically suppressing the model's generation of reflection triggers when it exhibits high confidence in its current response, thereby preventing redundant reflection cycles without compromising output quality. Our approach is model-agnostic, requires no retraining or architectural modifications, and can be integrated seamlessly with existing autoregressive generation pipelines. Extensive experiments across four reasoning benchmarks (i.e., AIME24, AMC23, MATH500, and GPQA-D) demonstrate CGRS's effectiveness: it reduces token usage by an average of 18.5% to 41.9% while preserving accuracy. It also achieves the optimal balance between length reduction and performance compared to state-of-the-art baselines. These results hold consistently across model architectures (e.g., DeepSeek-R1-Distill series, QwQ-32B, and Qwen3 family) and scales (4B to 32B parameters), highlighting CGRS's practical value for efficient reasoning.
Authors: Mariia Sorokina
Abstract: We propose the first fractal frequency mapping, which in a simple form enables to replicate complex neuronal effects. Unlike the conventional filters, which suppress or amplify the input spectral components according to the filter weights, the transformation excites novel components by a fractal recomposition of the input spectra resulting in a formation of spikes at resonant frequencies that are optimal for sampling. This enables high sensitivity detection, robustness to noise and noise-induced signal amplification. The proposed model illustrates that a neuronal functionality can be viewed as a linear summation of spectrum over nonlinearly transformed frequency domain.
Authors: Bruno L. Pereira, Alan Said, Rodrygo L. T. Santos
Abstract: Offline evaluation plays a central role in benchmarking recommender systems when online testing is impractical or risky. However, it is susceptible to two key sources of bias: exposure bias, where users only interact with items they are shown, and sampling bias, introduced when evaluation is performed on a subset of logged items rather than the full catalog. While prior work has proposed methods to mitigate sampling bias, these are typically assessed on fixed logged datasets rather than for their ability to support reliable model comparisons under varying exposure conditions or relative to true user preferences. In this paper, we investigate how different combinations of logging and sampling choices affect the reliability of offline evaluation. Using a fully observed dataset as ground truth, we systematically simulate diverse exposure biases and assess the reliability of common sampling strategies along four dimensions: sampling resolution (recommender model separability), fidelity (agreement with full evaluation), robustness (stability under exposure bias), and predictive power (alignment with ground truth). Our findings highlight when and how sampling distorts evaluation outcomes and offer practical guidance for selecting strategies that yield faithful and robust offline comparisons.
Authors: Wonjun Kang, Byeongkeun Ahn, Minjae Lee, Kevin Galim, Seunghyuk Oh, Hyung Il Koo, Nam Ik Cho
Abstract: Text-to-image (T2I) generation has been actively studied using Diffusion Models and Autoregressive Models. Recently, Masked Generative Transformers have gained attention as an alternative to Autoregressive Models to overcome the inherent limitations of causal attention and autoregressive decoding through bidirectional attention and parallel decoding, enabling efficient and high-quality image generation. However, compositional T2I generation remains challenging, as even state-of-the-art Diffusion Models often fail to accurately bind attributes and achieve proper text-image alignment. While Diffusion Models have been extensively studied for this issue, Masked Generative Transformers exhibit similar limitations but have not been explored in this context. To address this, we propose Unmasking with Contrastive Attention Guidance (UNCAGE), a novel training-free method that improves compositional fidelity by leveraging attention maps to prioritize the unmasking of tokens that clearly represent individual objects. UNCAGE consistently improves performance in both quantitative and qualitative evaluations across multiple benchmarks and metrics, with negligible inference overhead. Our code is available at https://github.com/furiosa-ai/uncage.
Authors: Hubert Baniecki, Maximilian Muschalik, Fabian Fumagalli, Barbara Hammer, Eyke H\"ullermeier, Przemyslaw Biecek
Abstract: Language-image pre-training (LIP) enables the development of vision-language models capable of zero-shot classification, localization, multimodal retrieval, and semantic understanding. Various explanation methods have been proposed to visualize the importance of input image-text pairs on the model's similarity outputs. However, popular saliency maps are limited by capturing only first-order attributions, overlooking the complex cross-modal interactions intrinsic to such encoders. We introduce faithful interaction explanations of LIP models (FIxLIP) as a unified approach to decomposing the similarity in vision-language encoders. FIxLIP is rooted in game theory, where we analyze how using the weighted Banzhaf interaction index offers greater flexibility and improves computational efficiency over the Shapley interaction quantification framework. From a practical perspective, we propose how to naturally extend explanation evaluation metrics, like the pointing game and area between the insertion/deletion curves, to second-order interaction explanations. Experiments on MS COCO and ImageNet-1k benchmarks validate that second-order methods like FIxLIP outperform first-order attribution methods. Beyond delivering high-quality explanations, we demonstrate the utility of FIxLIP in comparing different models like CLIP vs. SigLIP-2 and ViT-B/32 vs. ViT-L/16.
Authors: Joyentanuj Das, Suranjan De, He Sun
Abstract: Graph clustering is an important algorithmic technique for analysing massive graphs, and has been widely applied in many research fields of data science. While the objective of most graph clustering algorithms is to find a vertex set of low conductance, a sequence of recent studies highlights the importance of the inter-connection between vertex sets when analysing real-world datasets. Following this line of research, in this work we study bipartite-like clusters and present efficient and online sparsification algorithms that find such clusters in both undirected graphs and directed ones. We conduct experimental studies on both synthetic and real-world datasets, and show that our algorithms significantly speedup the running time of existing clustering algorithms while preserving their effectiveness.
Authors: Costas Smaragdakis
Abstract: Accurate numerical integration over non-uniform point clouds is a challenge for modern mesh-free machine learning solvers for partial differential equations (PDEs) using variational principles. While standard Monte Carlo (MC) methods are not capable of handling a non-uniform point cloud, modern neural network architectures can deal with permutation-invariant inputs, creating quadrature rules for any point cloud. In this work, we introduce QuadrANN, a Graph Neural Network (GNN) architecture designed to learn optimal quadrature weights directly from the underlying geometry of point clouds. The design of the model exploits a deep message-passing scheme where the initial layer encodes rich local geometric features from absolute and relative positions as well as an explicit local density measure. In contrast, the following layers incorporate a global context vector. These architectural choices allow the QuadrANN to generate a data-driven quadrature rule that is permutation-invariant and adaptive to both local point density and the overall domain shape. We test our methodology on a series of challenging test cases, including integration on convex and non-convex domains and estimating the solution of the Heat and Fokker-Planck equations. Across all the tests, QuadrANN reduces the variance of the integral estimation compared to standard Quasi-Monte Carlo methods by warping the point clouds to be more dense in critical areas where the integrands present certain singularities. This enhanced stability in critical areas of the domain at hand is critical for the optimization of energy functionals, leading to improved deep learning-based variational solvers.
Authors: Samuel R\"aber, Till Aczel, Andreas Plesner, Roger Wattenhofer
Abstract: Previous work has suggested that preprocessing images through lossy compression can defend against adversarial perturbations, but comprehensive attack evaluations have been lacking. In this paper, we construct strong white-box and adaptive attacks against various compression models and identify a critical challenge for attackers: high realism in reconstructed images significantly increases attack difficulty. Through rigorous evaluation across multiple attack scenarios, we demonstrate that compression models capable of producing realistic, high-fidelity reconstructions are substantially more resistant to our attacks. In contrast, low-realism compression models can be broken. Our analysis reveals that this is not due to gradient masking. Rather, realistic reconstructions maintaining distributional alignment with natural images seem to offer inherent robustness. This work highlights a significant obstacle for future adversarial attacks and suggests that developing more effective techniques to overcome realism represents an essential challenge for comprehensive security evaluation.
Authors: Antonio M. Sudoso
Abstract: Biclustering, also known as co-clustering or two-way clustering, simultaneously partitions the rows and columns of a data matrix to reveal submatrices with coherent patterns. Incorporating background knowledge into clustering to enhance solution quality and interpretability has attracted growing interest in mathematical optimization and machine learning research. Extending this paradigm to biclustering enables prior information to guide the joint grouping of rows and columns. We study constrained biclustering with pairwise constraints, namely must-link and cannot-link constraints, which specify whether objects should belong to the same or different biclusters. As a model problem, we address the constrained version of the k-densest disjoint biclique problem, which aims to identify k disjoint complete bipartite subgraphs (called bicliques) in a weighted complete bipartite graph, maximizing the total density while satisfying pairwise constraints. We propose both exact and heuristic algorithms. The exact approach is a tailored branch-and-cut algorithm based on a low-dimensional semidefinite programming (SDP) relaxation, strengthened with valid inequalities and solved in a cutting-plane fashion. Exploiting integer programming tools, a rounding scheme converts SDP solutions into feasible biclusterings at each node. For large-scale instances, we introduce an efficient heuristic based on the low-rank factorization of the SDP. The resulting nonlinear optimization problem is tackled with an augmented Lagrangian method, where the subproblem is solved by decomposition through a block-coordinate projected gradient algorithm. Extensive experiments on synthetic and real-world datasets show that the exact method significantly outperforms general-purpose solvers, while the heuristic achieves high-quality solutions efficiently on large instances.
Authors: Meryem Yilmaz Soylu, Adrian Gallard, Jeonghyun Lee, Gayane Grigoryan, Rushil Desai, Stephen Harmon
Abstract: Letters of recommendation (LORs) provide valuable insights into candidates' capabilities and experiences beyond standardized test scores. However, reviewing these text-heavy materials is time-consuming and labor-intensive. To address this challenge and support the admission committee in providing feedback for students' professional growth, our study introduces LORI: LOR Insights, a novel AI-based detection tool for assessing leadership skills in LORs submitted by online master's program applicants. By employing natural language processing and leveraging large language models using RoBERTa and LLAMA, we seek to identify leadership attributes such as teamwork, communication, and innovation. Our latest RoBERTa model achieves a weighted F1 score of 91.6%, a precision of 92.4%, and a recall of 91.6%, showing a strong level of consistency in our test data. With the growing importance of leadership skills in the STEM sector, integrating LORI into the graduate admissions process is crucial for accurately assessing applicants' leadership capabilities. This approach not only streamlines the admissions process but also automates and ensures a more comprehensive evaluation of candidates' capabilities.
Authors: Albert Yu, Chengshu Li, Luca Macesanu, Arnav Balaji, Ruchira Ray, Raymond Mooney, Roberto Mart\'in-Mart\'in
Abstract: Effective robotic systems for long-horizon human-robot collaboration must adapt to a wide range of human partners, whose physical behavior, willingness to assist, and understanding of the robot's capabilities may change over time. This demands a tightly coupled communication loop that grants both agents the flexibility to propose, accept, or decline requests as they coordinate toward completing the task effectively. We apply a Mixed-Initiative dialog paradigm to Collaborative human-roBot teaming and propose MICoBot, a system that handles the common scenario where both agents, using natural language, take initiative in formulating, accepting, or rejecting proposals on who can best complete different steps of a task. To handle diverse, task-directed dialog, and find successful collaborative strategies that minimize human effort, MICoBot makes decisions at three levels: (1) a meta-planner considers human dialog to formulate and code a high-level collaboration strategy, (2) a planner optimally allocates the remaining steps to either agent based on the robot's capabilities (measured by a simulation-pretrained affordance model) and the human's estimated availability to help, and (3) an action executor decides the low-level actions to perform or words to say to the human. Our extensive evaluations in simulation and real-world -- on a physical robot with 18 unique human participants over 27 hours -- demonstrate the ability of our method to effectively collaborate with diverse human users, yielding significantly improved task success and user experience than a pure LLM baseline and other agent allocation models. See additional videos and materials at https://robin-lab.cs.utexas.edu/MicoBot/.
Authors: Han-Xiao Tao, Xin Wang, Re-Bing Wu
Abstract: Pulse-based Quantum Machine Learning (QML) has emerged as a novel paradigm in quantum artificial intelligence due to its exceptional hardware efficiency. For practical applications, pulse-based models must be both expressive and trainable. Previous studies suggest that pulse-based models under dynamic symmetry can be effectively trained, thanks to a favorable loss landscape that has no barren plateaus. However, the resulting uncontrollability may compromise expressivity when the model is inadequately designed. This paper investigates the requirements for pulse-based QML models to be expressive while preserving trainability. We present a necessary condition pertaining to the system's initial state, the measurement observable, and the underlying dynamical symmetry Lie algebra, supported by numerical simulations. Our findings establish a framework for designing practical pulse-based QML models that balance expressivity and trainability.
Authors: Bingfan Liu, Peijun Sang
Abstract: In functional data analysis, binary classification with one functional covariate has been extensively studied. We aim to fill in the gap of considering multivariate functional covariates in classification. In particular, we propose an $L_1$-regularized functional support vector machine for binary classification. An accompanying algorithm is developed to fit the classifier. By imposing an $L_1$ penalty, the algorithm enables us to identify relevant functional covariates of the binary response. Numerical results from simulations and one real-world application demonstrate that the proposed classifier enjoys good performance in both prediction and feature selection.
Authors: Ilya Levin, Alexey Naumov, Sergey Samsonov
Abstract: In this paper, we study the bias and high-order error bounds of the Linear Stochastic Approximation (LSA) algorithm with Polyak-Ruppert (PR) averaging under Markovian noise. We focus on the version of the algorithm with constant step size $\alpha$ and propose a novel decomposition of the bias via a linearization technique. We analyze the structure of the bias and show that the leading-order term is linear in $\alpha$ and cannot be eliminated by PR averaging. To address this, we apply the Richardson-Romberg (RR) extrapolation procedure, which effectively cancels the leading bias term. We derive high-order moment bounds for the RR iterates and show that the leading error term aligns with the asymptotically optimal covariance matrix of the vanilla averaged LSA iterates.
Authors: Brandon Jaipersaud, David Krueger, Ekdeep Singh Lubana
Abstract: Large Language Models (LLMs) have started to demonstrate the ability to persuade humans, yet our understanding of how this dynamic transpires is limited. Recent work has used linear probes, lightweight tools for analyzing model representations, to study various LLM skills such as the ability to model user sentiment and political perspective. Motivated by this, we apply probes to study persuasion dynamics in natural, multi-turn conversations. We leverage insights from cognitive science to train probes on distinct aspects of persuasion: persuasion success, persuadee personality, and persuasion strategy. Despite their simplicity, we show that they capture various aspects of persuasion at both the sample and dataset levels. For instance, probes can identify the point in a conversation where the persuadee was persuaded or where persuasive success generally occurs across the entire dataset. We also show that in addition to being faster than expensive prompting-based approaches, probes can do just as well and even outperform prompting in some settings, such as when uncovering persuasion strategy. This suggests probes as a plausible avenue for studying other complex behaviours such as deception and manipulation, especially in multi-turn settings and large-scale dataset analysis where prompting-based methods would be computationally inefficient.
Authors: Jianpeng Yao, Xiaopan Zhang, Yu Xia, Zejin Wang, Amit K. Roy-Chowdhury, Jiachen Li
Abstract: Mobile robots navigating in crowds trained using reinforcement learning are known to suffer performance degradation when faced with out-of-distribution scenarios. We propose that by properly accounting for the uncertainties of pedestrians, a robot can learn safe navigation policies that are robust to distribution shifts. Our method augments agent observations with prediction uncertainty estimates generated by adaptive conformal inference, and it uses these estimates to guide the agent's behavior through constrained reinforcement learning. The system helps regulate the agent's actions and enables it to adapt to distribution shifts. In the in-distribution setting, our approach achieves a 96.93% success rate, which is over 8.80% higher than the previous state-of-the-art baselines with over 3.72 times fewer collisions and 2.43 times fewer intrusions into ground-truth human future trajectories. In three out-of-distribution scenarios, our method shows much stronger robustness when facing distribution shifts in velocity variations, policy changes, and transitions from individual to group dynamics. We deploy our method on a real robot, and experiments show that the robot makes safe and robust decisions when interacting with both sparse and dense crowds. Our code and videos are available on https://gen-safe-nav.github.io/.
Authors: Prashant Gupta, Aashi Jindal, Jayadeva, Debarka Sengupta
Abstract: We present a new way of constructing an ensemble classifier, named the Guided Random Forest (GRAF) in the sequel. GRAF extends the idea of building oblique decision trees with localized partitioning to obtain a global partitioning. We show that global partitioning bridges the gap between decision trees and boosting algorithms. We empirically demonstrate that global partitioning reduces the generalization error bound. Results on 115 benchmark datasets show that GRAF yields comparable or better results on a majority of datasets. We also present a new way of approximating the datasets in the framework of random forests.
Authors: Ashok Cutkosky, Harsh Mehta, Francesco Orabona
Abstract: We present new algorithms for optimizing non-smooth, non-convex stochastic objectives based on a novel analysis technique. This improves the current best-known complexity for finding a $(\delta,\epsilon)$-stationary point from $O(\epsilon^{-4}\delta^{-1})$ stochastic gradient queries to $O(\epsilon^{-3}\delta^{-1})$, which we also show to be optimal. Our primary technique is a reduction from non-smooth non-convex optimization to online learning, after which our results follow from standard regret bounds in online learning. For deterministic and second-order smooth objectives, applying more advanced optimistic online learning techniques enables a new complexity of $O(\epsilon^{-1.5}\delta^{-0.5})$. Our techniques also recover all optimal or best-known results for finding $\epsilon$ stationary points of smooth or second-order smooth objectives in both stochastic and deterministic settings.
Authors: Nora Belrose, Igor Ostrovsky, Lev McKinney, Zach Furman, Logan Smith, Danny Halawi, Stella Biderman, Jacob Steinhardt
Abstract: We analyze transformers from the perspective of iterative inference, seeking to understand how model predictions are refined layer by layer. To do so, we train an affine probe for each block in a frozen pretrained model, making it possible to decode every hidden state into a distribution over the vocabulary. Our method, the tuned lens, is a refinement of the earlier "logit lens" technique, which yielded useful insights but is often brittle. We test our method on various autoregressive language models with up to 20B parameters, showing it to be more predictive, reliable and unbiased than the logit lens. With causal experiments, we show the tuned lens uses similar features to the model itself. We also find the trajectory of latent predictions can be used to detect malicious inputs with high accuracy. All code needed to reproduce our results can be found at https://github.com/AlignmentResearch/tuned-lens.
Authors: Kai Yin, Junwei Ma, Ali Mostafavi
Abstract: Urban flood risk emerges from complex and nonlinear interactions among multiple features related to flood hazard, flood exposure, and social and physical vulnerabilities, along with the complex spatial flood dependence relationships. Existing approaches for characterizing urban flood risk, however, are primarily based on flood plain maps, focusing on a limited number of features, primarily hazard and exposure features, without consideration of feature interactions or the dependence relationships among spatial areas. To address this gap, this study presents an integrated urban flood-risk rating model based on a novel unsupervised graph deep learning model (called FloodRisk-Net). FloodRisk-Net is capable of capturing spatial dependence among areas and complex and nonlinear interactions among flood hazards and urban features for specifying emergent flood risk. Using data from multiple metropolitan statistical areas (MSAs) in the United States, the model characterizes their flood risk into six distinct city-specific levels. The model is interpretable and enables feature analysis of areas within each flood-risk level, allowing for the identification of the three archetypes shaping the highest flood risk within each MSA. Flood risk is found to be spatially distributed in a hierarchical structure within each MSA, where the core city disproportionately bears the highest flood risk. Multiple cities are found to have high overall flood-risk levels and low spatial inequality, indicating limited options for balancing urban development and flood-risk reduction. Relevant flood-risk reduction strategies are discussed considering ways that the highest flood risk and uneven spatial distribution of flood risk are formed.
Authors: Yang Li, Daniel Agyei Asante, Changsheng Zhao, Ernie Chang, Yangyang Shi, Vikas Chandra
Abstract: Large language models (LLMs) significantly enhance the performance of various applications, but they are computationally intensive and energy-demanding. This makes it challenging to deploy them on devices with limited resources, such as personal computers and mobile/wearable devices, and results in substantial inference costs in resource-rich environments like cloud servers. To extend the use of LLMs, we introduce a low-rank decomposition approach to effectively compress these models, tailored to the requirements of specific applications. We observe that LLMs pretrained on general datasets contain many redundant components not needed for particular applications. Our method focuses on identifying and removing these redundant parts, retaining only the necessary elements for the target applications. Specifically, we represent the weight matrices of LLMs as a linear combination of base components. We then prune the irrelevant bases and enhance the model with new bases beneficial for specific applications. Deep compression results on the Llama 2-7b and -13B models, conducted on target applications including mathematical reasoning and code generation, show that our method significantly reduces model size while maintaining comparable accuracy to state-of-the-art low-rank compression techniques.
Authors: Andrea Pollastro, Francesco Isgr\`o, Roberto Prevete
Abstract: Over the past few decades, electroencephalography (EEG) monitoring has become a pivotal tool for diagnosing neurological disorders, particularly for detecting seizures. Epilepsy, one of the most prevalent neurological diseases worldwide, affects approximately the 1 \% of the population. These patients face significant risks, underscoring the need for reliable, continuous seizure monitoring in daily life. Most of the techniques discussed in the literature rely on supervised Machine Learning (ML) methods. However, the challenge of accurately labeling variations in epileptic EEG waveforms complicates the use of these approaches. Additionally, the rarity of ictal events introduces an high imbalancing within the data, which could lead to poor prediction performance in supervised learning approaches. Instead, a semi-supervised approach allows to train the model only on data not containing seizures, thus avoiding the issues related to the data imbalancing. This work proposes a semi-supervised approach for detecting epileptic seizures from EEG data, utilizing a novel Deep Learning-based method called SincVAE. This proposal incorporates the learning of an ad-hoc array of bandpass filter as a first layer of a Variational Autoencoder (VAE), potentially eliminating the preprocessing stage where informative band frequencies are identified and isolated. Results indicate that SincVAE improves seizure detection in EEG data and is capable of identifying early seizures during the preictal stage as well as monitoring patients throughout the postictal stage.
Authors: Wenhao Liang, Chang Dong, Liangwei Zheng, Wei Zhang, Weitong Chen
Abstract: Uncertainty is a fundamental aspect of real-world scenarios, where perfect information is rarely available. Humans naturally develop complex internal models to navigate incomplete data and effectively respond to unforeseen or partially observed events. In machine learning, Focal Loss is commonly used to reduce misclassification rates by emphasizing hard-to-classify samples. However, it does not guarantee well-calibrated predicted probabilities and may result in models that are overconfident or underconfident. High calibration error indicates a misalignment between predicted probabilities and actual outcomes, affecting model reliability. This research introduces a novel loss function called Focal Calibration Loss (FCL), designed to improve probability calibration while retaining the advantages of Focal Loss in handling difficult samples. By minimizing the Euclidean norm through a strictly proper loss, FCL penalizes the instance-wise calibration error and constrains bounds. We provide theoretical validation for proposed method and apply it to calibrate CheXNet for potential deployment in web-based health-care systems. Extensive evaluations on various models and datasets demonstrate that our method achieves SOTA performance in both calibration and accuracy metrics.
Authors: Maximilian Fleissner, Maedeh Zarvandi, Debarghya Ghoshdastidar
Abstract: We study the explainable clustering problem first posed by Moshkovitz, Dasgupta, Rashtchian, and Frost (ICML 2020). The goal of explainable clustering is to fit an axis-aligned decision tree with $K$ leaves and minimal clustering cost (where every leaf is a cluster). The fundamental theoretical question in this line of work is the \textit{price of explainability}, defined as the ratio between the clustering cost of the tree and the optimal cost. Numerous papers have provided worst-case guarantees on this quantity. For $K$-medians, it has recently been shown that the worst-case price of explainability is $\Theta(\log K)$. While this settles the matter from a data-agnostic point of view, two important questions remain unanswered: Are tighter guarantees possible for well-clustered data? And can we trust decision trees to recover underlying cluster structures? In this paper, we place ourselves in a statistical setting of mixture models to answer both questions. We prove that better guarantees are indeed feasible for well-clustered data. Our algorithm takes as input a mixture model and constructs a tree in data-independent time. We then extend our analysis to kernel clustering, deriving new guarantees that significantly improve over existing worst-case bounds.
Authors: Daphn\'e Chopard, Sonia Laguna, Kieran Chin-Cheong, Annika Dietz, Anna Badura, Sven Wellmann, Julia E. Vogt
Abstract: General movements (GMs) are spontaneous, coordinated body movements in infants that offer valuable insights into the developing nervous system. Assessed through the Prechtl GM Assessment (GMA), GMs are reliable predictors for neurodevelopmental disorders. However, GMA requires specifically trained clinicians, who are limited in number. To scale up newborn screening, there is a need for an algorithm that can automatically classify GMs from infant video recordings. This data poses challenges, including variability in recording length, device type, and setting, with each video coarsely annotated for overall movement quality. In this work, we introduce a tool for extracting features from these recordings and explore various machine learning techniques for automated GM classification.
Authors: Indranil Halder
Abstract: We develop an analytically tractable single-step diffusion model based on a linear denoiser and present an explicit formula for the Kullback-Leibler divergence between the generated and sampling distribution, taken to be isotropic Gaussian, showing the effect of finite diffusion time and noise scale. Our study further reveals that the monotonic fall phase of Kullback-Leibler divergence begins when the training dataset size reaches the dimension of the data points. Finally, for large-scale practical diffusion models, we explain why a higher number of diffusion steps enhances production quality based on the theoretical arguments presented before.
Authors: Guangli Li, Canbiao Wu, Zhehao Zhou, Tuo Sun, Ping Tan, Li Zhang, Zhen Liang
Abstract: Electroencephalogram (EEG) signals serve as a powerful tool in affective Brain-Computer Interfaces (aBCIs) and play a crucial role in affective computing. In recent years, the introduction of deep learning techniques has significantly advanced the development of aBCIs. However, the current emotion recognition methods based on deep transfer learning face the challenge of the dual dependence of the model on source domain and target domain, As well as being affected by label noise, which seriously affects the performance and generalization ability of the model. To overcome this limitation, we proposes a Pairwise Learning framework with Domain and Category Prototypes for EEG emotion recognition under unseen target conditions (PL-DCP), and integrating concepts of feature disentanglement and prototype inference. Here, the feature disentanglement module extracts and decouples the emotional EEG features to form domain features and class features, and further calculates the dual prototype representation. The Domain-pprototype captures the individual variations across subjects, while the class-prototype captures the cross-individual commonality of emotion categories. In addition, the pairwise learning strategy effectively reduces the noise effect caused by wrong labels. The PL-DCP framework conducts a systematic experimental evaluation on the published datasets SEED, SEED-IV and SEED-V, and the accuracy are 82.88\%, 65.15\% and 61.29\%, respectively. The results show that compared with other State-of-the-Art(SOTA) Methods, the PL-DCP model still achieves slightly better performance than the deep transfer learning method that requires both source and target data, although the target domain is completely unseen during the training. This work provides an effective and robust potential solution for emotion recognition. The source code is available at https://github.com/WuCB-BCI/PL_DCP.
Authors: Willian T. Lunardi, Abdulrahman Banabila, Dania Herzalla, Martin Andreoni
Abstract: Distance-based anomaly detection methods rely on compact in-distribution (ID) embeddings that are well separated from anomalies. However, conventional contrastive learning strategies often struggle to achieve this balance, either promoting excessive variance among inliers or failing to preserve the diversity of outliers. We begin by analyzing the challenges of representation learning for anomaly detection and identify three essential properties for the pretext task: (1) compact clustering of inliers, (2) strong separation between inliers and anomalies, and (3) preservation of diversity among synthetic outliers. Building on this, we propose a structured contrastive objective that redefines positive and negative relationships during training, promoting these properties without requiring explicit anomaly labels. We extend this framework with a patch-based learning and evaluation strategy specifically designed to improve the detection of localized anomalies in industrial settings. Our approach demonstrates significantly faster convergence and improved performance compared to standard contrastive methods. It matches or surpasses anomaly detection methods on both semantic and industrial benchmarks, including methods that rely on discriminative training or explicit anomaly labels.
Authors: Arik Reuter, Tim G. J. Rudner, Vincent Fortuin, David R\"ugamer
Abstract: Transformers have emerged as the dominant architecture in the field of deep learning, with a broad range of applications and remarkable in-context learning (ICL) capabilities. While not yet fully understood, ICL has already proved to be an intriguing phenomenon, allowing transformers to learn in context -- without requiring further training. In this paper, we further advance the understanding of ICL by demonstrating that transformers can perform full Bayesian inference for commonly used statistical models in context. More specifically, we introduce a general framework that builds on ideas from prior fitted networks and continuous normalizing flows and enables us to infer complex posterior distributions for models such as generalized linear models and latent factor models. Extensive experiments on real-world datasets demonstrate that our ICL approach yields posterior samples that are similar in quality to state-of-the-art MCMC or variational inference methods that do not operate in context. The source code for this paper is available at https://github.com/ArikReuter/ICL_for_Full_Bayesian_Inference.
URLs: https://github.com/ArikReuter/ICL_for_Full_Bayesian_Inference.
Authors: Vladimir Frants, Sos Agaian
Abstract: This paper addresses the vulnerability of deep-learning models designed for rain, snow, and haze removal. Despite enhancing image quality in adverse weather, these models are susceptible to adversarial attacks that compromise their effectiveness. Traditional defenses such as adversarial training and model distillation often require extensive retraining, making them costly and impractical for real-world deployment. While denoising and super-resolution techniques can aid image classification models, they impose high computational demands and introduce visual artifacts that hinder image processing tasks. We propose a model-agnostic defense against first-order white-box adversarial attacks using the Quaternion-Hadamard Network (QHNet) to tackle these challenges. White-box attacks are particularly difficult to defend against since attackers have full access to the model's architecture, weights, and training procedures. Our defense introduces the Quaternion Hadamard Denoising Convolutional Block (QHDCB) and the Quaternion Denoising Residual Block (QDRB), leveraging polynomial thresholding. QHNet incorporates these blocks within an encoder-decoder architecture, enhanced by feature refinement, to effectively neutralize adversarial noise. Additionally, we introduce the Adversarial Weather Conditions Vision Dataset (AWCVD), created by applying first-order gradient attacks on state-of-the-art weather removal techniques in scenarios involving haze, rain streaks, and snow. Using PSNR and SSIM metrics, we demonstrate that QHNet significantly enhances the robustness of low-level computer vision models against adversarial attacks compared with state-of-the-art denoising and super-resolution techniques. The source code and dataset will be released alongside the final version of this paper.
Authors: Yunbo Long, Liming Xu, Alexandra Brintrup
Abstract: Synthetic tabular data are increasingly being used to replace real data, serving as an effective solution that simultaneously protects privacy and addresses data scarcity. However, in addition to preserving global statistical properties, synthetic datasets must also maintain domain-specific logical consistency**-**especially in complex systems like supply chains, where fields such as shipment dates, locations, and product categories must remain logically consistent for real-world usability. Existing generative models often overlook these inter-column relationships, leading to unreliable synthetic tabular data in real-world applications. To address these challenges, we propose LLM-TabLogic, a novel approach that leverages Large Language Model reasoning to capture and compress the complex logical relationships among tabular columns, while these conditional constraints are passed into a Score-based Diffusion model for data generation in latent space. Through extensive experiments on real-world industrial datasets, we evaluate LLM-TabLogic for column reasoning and data generation, comparing it with five baselines including SMOTE and state-of-the-art generative models. Our results show that LLM-TabLogic demonstrates strong generalization in logical inference, achieving over 90% accuracy on unseen tables. Furthermore, our method outperforms all baselines in data generation by fully preserving inter-column relationships while maintaining the best balance between data fidelity, utility, and privacy. This study presents the first method to effectively preserve inter-column relationships in synthetic tabular data generation without requiring domain knowledge, offering new insights for creating logically consistent real-world tabular data.
Authors: Youngeun Kim, Seunghwan Lee, Aecheon Jung, Bogon Ryu, Sungeun Hong
Abstract: Model merging enables efficient multi-task models by combining task-specific fine-tuned checkpoints. However, storing multiple task-specific checkpoints requires significant memory, limiting scalability and restricting model merging to larger models and diverse tasks. In this paper, we propose quantizing task vectors (i.e., the difference between pre-trained and fine-tuned checkpoints) instead of quantizing fine-tuned checkpoints. We observe that task vectors exhibit a narrow weight range, enabling low precision quantization (e.g., 4 bit) within existing task vector merging frameworks. To further mitigate quantization errors within ultra-low bit precision (e.g., 2 bit), we introduce Residual Task Vector Quantization, which decomposes the task vector into a base vector and offset component. We allocate bits based on quantization sensitivity, ensuring precision while minimizing error within a memory budget. Experiments on image classification and dense prediction show our method maintains or improves model merging performance while using only 8% of the memory required for full-precision checkpoints.
Authors: Younwoo Choi, Muhammad Adil Asif, Ziwen Han, John Willes, Rahul G. Krishnan
Abstract: Prompting Large Language Models (LLMs), or providing context on the expected model of operation, is an effective way to steer the outputs of such models to satisfy human desiderata after they have been trained. But in rapidly evolving domains, there is often need to fine-tune LLMs to improve either the kind of knowledge in their memory or their abilities to perform open ended reasoning in new domains. When human's learn new concepts, we often do so by linking the new material that we are studying to concepts we have already learned before. To that end, we ask, "can prompting help us teach LLMs how to learn". In this work, we study a novel generalization of instruction tuning, called contextual fine-tuning, to fine-tune LLMs. Our method leverages instructional prompts designed to mimic human cognitive strategies in learning and problem-solving to guide the learning process during training, aiming to improve the model's interpretation and understanding of domain-specific knowledge. We empirically demonstrate that this simple yet effective modification improves the ability of LLMs to be fine-tuned rapidly on new datasets both within the medical and financial domains.
Authors: Hannes Waclawek, Stefan Huber
Abstract: This work explores an extension of machine learning-optimized piecewise polynomial approximation by incorporating energy optimization as an additional objective. Traditional closed-form solutions enable continuity and approximation targets but lack flexibility in accommodating complex optimization goals. By leveraging modern gradient descent optimizers within TensorFlow, we introduce a framework that minimizes elastic strain energy in cam profiles, leading to smoother motion. Experimental results confirm the effectiveness of this approach, demonstrating its potential to Pareto-efficiently trade approximation quality against energy consumption.
Authors: Dan Parii, Evelyne Janssen, Guangzhi Tang, Charalampos Kouzinopoulos, Marcin Pietrasik
Abstract: Accurately predicting the lifespan of critical device components is essential for maintenance planning and production optimization, making it a topic of significant interest in both academia and industry. In this work, we investigate the use of survival analysis for predicting the lifespan of production printheads developed by Canon Production Printing. Specifically, we focus on the application of five techniques to estimate survival probabilities and failure rates: the Kaplan-Meier estimator, Cox proportional hazard model, Weibull accelerated failure time model, random survival forest, and gradient boosting. The resulting estimates are further refined using isotonic regression and subsequently aggregated to determine the expected number of failures. The predictions are then validated against real-world ground truth data across multiple time windows to assess model reliability. Our quantitative evaluation using three performance metrics demonstrates that survival analysis outperforms industry-standard baseline methods for printhead lifespan prediction.
Authors: Athanasios Athanasopoulos, Mat\'u\v{s} Mihal\'ak, Marcin Pietrasik
Abstract: One of the key safety considerations of battery manufacturing is thermal runaway, the uncontrolled increase in temperature which can lead to fires, explosions, and emissions of toxic gasses. As such, development of automated systems capable of detecting such events is of considerable importance in both academic and industrial contexts. In this work, we investigate the use of deep learning for detecting thermal runaway in the battery production line of VDL Nedcar, a Dutch automobile manufacturer. Specifically, we collect data from the production line to represent both baseline (non thermal runaway) and thermal runaway conditions. Thermal runaway was simulated through the use of external heat and smoke sources. The data consisted of both optical and thermal images which were then preprocessed and fused before serving as input to our models. In this regard, we evaluated three deep-learning models widely used in computer vision including shallow convolutional neural networks, residual neural networks, and vision transformers on two performance metrics. Furthermore, we evaluated these models using explainability methods to gain insight into their ability to capture the relevant feature information from their inputs. The obtained results indicate that the use of deep learning is a viable approach to thermal runaway detection in battery production lines.
Authors: Georgios Makrygiorgos, Joshua Hang Sai Ip, Ali Mesbah
Abstract: Bayesian optimization (BO) is a widely used method for data-driven optimization that generally relies on zeroth-order data of objective function to construct probabilistic surrogate models. These surrogates guide the exploration-exploitation process toward finding global optimum. While Gaussian processes (GPs) are commonly employed as surrogates of the unknown objective function, recent studies have highlighted the potential of Bayesian neural networks (BNNs) as scalable and flexible alternatives. Moreover, incorporating gradient observations into GPs, when available, has been shown to improve BO performance. However, the use of gradients within BNN surrogates remains unexplored. By leveraging automatic differentiation, gradient information can be seamlessly integrated into BNN training, resulting in more informative surrogates for BO. We propose a gradient-informed loss function for BNN training, effectively augmenting function observations with local gradient information. The effectiveness of this approach is demonstrated on well-known benchmarks in terms of improved BNN predictions and faster BO convergence as the number of decision variables increases.
Authors: Gaohang Chen, Lili Ju, Zhonghua Qiao
Abstract: Solving partial differential equations (PDEs) with neural networks (NNs) has shown great potential in various scientific and engineering fields. However, most existing NN solvers mainly focus on satisfying the given PDE formulas in the strong or weak sense, without explicitly considering some intrinsic physical properties, such as mass and momentum conservation, or energy dissipation. This limitation may result in nonphysical or unstable numerical solutions, particularly in long-term simulations. To address this issue, we propose ``Sidecar'', a novel framework that enhances the physical consistency of existing NN solvers for solving parabolic PDEs. Inspired by the time-dependent spectral renormalization approach, our Sidecar framework introduces a small network as a copilot, guiding the primary function-learning NN solver to respect the structure-preserving properties. Our framework is highly flexible, allowing the preservation of various physical quantities for different PDEs to be incorporated into a wide range of NN solvers. Experimental results on some benchmark problems demonstrate significant improvements brought by the proposed framework to both accuracy and structure preservation of existing NN solvers.
Authors: Helen Jin, Anton Xue, Weiqiu You, Surbhi Goel, Eric Wong
Abstract: Stability guarantees have emerged as a principled way to evaluate feature attributions, but existing certification methods rely on heavily smoothed classifiers and often produce conservative guarantees. To address these limitations, we introduce soft stability and propose a simple, model-agnostic, sample-efficient stability certification algorithm (SCA) that yields non-trivial and interpretable guarantees for any attribution method. Moreover, we show that mild smoothing achieves a more favorable trade-off between accuracy and stability, avoiding the aggressive compromises made in prior certification methods. To explain this behavior, we use Boolean function analysis to derive a novel characterization of stability under smoothing. We evaluate SCA on vision and language tasks and demonstrate the effectiveness of soft stability in measuring the robustness of explanation methods.
Authors: Lawrence Liu, Inesh Chakrabarti, Yixiao Li, Mengdi Wang, Tuo Zhao, Lin F. Yang
Abstract: Large language models (LLMs) exhibit remarkable performance across various natural language processing tasks but suffer from immense computational and memory demands, limiting their deployment in resource-constrained environments. To address this challenge, we propose NoWag (Normalized Weight and Activation Guided Compression), a unified framework for one-shot shape preserving compression algorithms. We apply NoWag to compress Llama-2 (7B, 13B, 70B) and Llama-3 (8B, 70B) models using two popular shape-preserving techniques: vector quantization (NoWag-VQ) and unstructured/semi-structured pruning (NoWag-P). Our results show that NoWag-VQ significantly outperforms state-of-the-art one-shot vector quantization methods, while NoWag-P performs competitively against leading pruning techniques. These findings highlight underlying commonalities between these compression paradigms and suggest promising directions for future research. Our code is available at https://github.com/LawrenceRLiu/NoWag
Authors: Rahuul Rangaraj, Jimeng Shi, Azam Shirali, Rajendra Paudel, Yanzhao Wu, Giri Narasimhan
Abstract: The Everglades play a crucial role in flood and drought regulation, water resource planning, and ecosystem management in the surrounding regions. However, traditional physics-based and statistical methods for predicting water levels often face significant challenges, including high computational costs and limited adaptability to diverse or unforeseen conditions. Recent advancements in large time series models have demonstrated the potential to address these limitations, with state-of-the-art deep learning and foundation models achieving remarkable success in time series forecasting across various domains. Despite this progress, their application to critical environmental systems, such as the Everglades, remains underexplored. In this study, we fill the gap by investigating twelve task-specific models and five time series foundation models across six categories for a real-world application focused on water level prediction in the Everglades. Our primary results show that the foundation model Chronos significantly outperforms all other models while the remaining foundation models exhibit relatively poor performance. We also noticed that the performance of task-specific models varies with the model architectures, and discussed the possible reasons. We hope our study and findings will inspire the community to explore the applicability of large time series models in hydrological applications. The code and data are available at https://github.com/rahuul2992000/Everglades-Benchmark.
URLs: https://github.com/rahuul2992000/Everglades-Benchmark.
Authors: Hengyuan Hu, Aniket Das, Dorsa Sadigh, Nima Anari
Abstract: Denoising Diffusion Probabilistic Models (DDPMs) have emerged as powerful tools for generative modeling. However, their sequential computation requirements lead to significant inference-time bottlenecks. In this work, we utilize the connection between DDPMs and Stochastic Localization to prove that, under an appropriate reparametrization, the increments of DDPM satisfy an exchangeability property. This general insight enables near-black-box adaptation of various performance optimization techniques from autoregressive models to the diffusion setting. To demonstrate this, we introduce \emph{Autospeculative Decoding} (ASD), an extension of the widely used speculative decoding algorithm to DDPMs that does not require any auxiliary draft models. Our theoretical analysis shows that ASD achieves a $\tilde{O} (K^{\frac{1}{3}})$ parallel runtime speedup over the $K$ step sequential DDPM. We also demonstrate that a practical implementation of autospeculative decoding accelerates DDPM inference significantly in various domains.
Authors: Toby Simonds, Kevin Lopez, Akira Yoshiyama, Dominique Garmier
Abstract: Large language models can generate solutions to complex problems, but training them with reinforcement learning typically requires verifiable rewards that are expensive to create and not possible for all domains. We demonstrate that LLMs can effectively self-improve through self-judging without reference solutions, leveraging the inherent asymmetry between generating and verifying solutions. Our experiments show that models can provide reliable reward signals without ground truth answers, enabling reinforcement learning in domains where verifiable rewards are impractical. By implementing self-judging across Countdown puzzles and integration problems, we achieve performance comparable to formal verification without ground truth solutions. Most notably, Qwen 2.5 7B DeepSeek Distilled trained with self-rewards qualifies for the prestigious MIT Integration Bee competition, performance through self-supervised improvement. When combined with synthetic question generation, we establish a complete self-improvement loop where models generate practice problems, solve them, and evaluate their own performance without any external validation. Our findings demonstrate that LLM judges can provide effective reward signals for training, unlocking reinforcement learning in countless domains previously limited by reward engineering challenges. This work represents a significant step toward autonomous AI systems that continuously improve through self-directed learning rather than human-guided training, potentially accelerating progress across domains where training data is scarce or evaluation is complex.
Authors: Jesson Wang, Zhanhao Hu, David Wagner
Abstract: Large Language Models (LLMs) are trained with safety alignment to prevent generating malicious content. Although some attacks have highlighted vulnerabilities in these safety-aligned LLMs, they typically have limitations, such as necessitating access to the model weights or the generation process. Since proprietary models through API-calling do not grant users such permissions, these attacks find it challenging to compromise them. In this paper, we propose Jailbreaking Using LLM Introspection (JULI), which jailbreaks LLMs by manipulating the token log probabilities, using a tiny plug-in block, BiasNet. JULI relies solely on the knowledge of the target LLM's predicted token log probabilities. It can effectively jailbreak API-calling LLMs under a black-box setting and knowing only top-$5$ token log probabilities. Our approach demonstrates superior effectiveness, outperforming existing state-of-the-art (SOTA) approaches across multiple metrics.
Authors: Rui Cai, Bangzheng Li, Xiaofei Wen, Muhao Chen, Zhe Zhao
Abstract: Multimodal Large Language Models (MLLMs) have demonstrated impressive capabilities across tasks, yet they often exhibit difficulty in distinguishing task-relevant from irrelevant signals, particularly in tasks like Visual Question Answering (VQA), which can lead to susceptibility to misleading or spurious inputs. We refer to this broader limitation as the Cross-Modality Competency Problem: the model's inability to fairly evaluate all modalities. This vulnerability becomes more evident in modality-specific tasks such as image classification or pure text question answering, where models are expected to rely solely on one modality. In such tasks, spurious information from irrelevant modalities often leads to significant performance degradation. We refer to this failure as Modality Interference, which serves as a concrete and measurable instance of the cross-modality competency problem. We further design a perturbation-based causal diagnostic experiment to verify and quantify this problem. To mitigate modality interference, we propose a novel framework to fine-tune MLLMs, including perturbation-based data augmentations with both heuristic perturbations and adversarial perturbations via Projected Gradient Descent (PGD), and a consistency regularization strategy applied to model outputs with original and perturbed inputs. Experiments on multiple benchmark datasets (image-heavy, text-heavy, and VQA tasks) and multiple model families with different scales demonstrate significant improvements in robustness and cross-modality competency, indicating our method's effectiveness in boosting unimodal reasoning ability while enhancing performance on multimodal tasks.
Authors: Marius Bock, Maximilian Hopp, Kristof Van Laerhoven, Michael Moeller
Abstract: While prior work has shown that Federated Learning updates can leak sensitive information, label reconstruction attacks, which aim to recover input labels from shared gradients, have not yet been examined in the context of Human Activity Recognition (HAR). Given the sensitive nature of activity labels, this study evaluates the effectiveness of state-of-the-art gradient-based label leakage attacks on HAR benchmark datasets. Our findings show that the number of activity classes, sampling strategy, and class imbalance are critical factors influencing the extent of label leakage, with reconstruction accuracies reaching well-above 90% on two benchmark datasets, even for trained models. Moreover, we find that Local Differential Privacy techniques such as gradient noise and clipping offer only limited protection, as certain attacks still reliably infer both majority and minority class labels. We conclude by offering practical recommendations for the privacy-aware deployment of federated HAR systems and identify open challenges for future research. Code to reproduce our experiments is publicly available via github.com/mariusbock/leakage_har.
Authors: Dravyansh Sharma, Alec Sun
Abstract: Machine learning is now ubiquitous in societal decision-making, for example in evaluating job candidates or loan applications, and it is increasingly important to take into account how classified agents will react to the learning algorithms. The majority of recent literature on strategic classification has focused on reducing and countering deceptive behaviors by the classified agents, but recent work of Attias et al. identifies surprising properties of learnability when the agents genuinely improve in order to attain the desirable classification, such as smaller generalization error than standard PAC-learning. In this paper we characterize so-called learnability with improvements across multiple new axes. We introduce an asymmetric variant of minimally consistent concept classes and use it to provide an exact characterization of proper learning with improvements in the realizable setting. While prior work studies learnability only under general, arbitrary agent improvement regions, we give positive results for more natural Euclidean ball improvement sets. In particular, we characterize improper learning under a mild generative assumption on the data distribution. We further show how to learn in more challenging settings, achieving lower generalization error under well-studied bounded noise models and obtaining mistake bounds in realizable and agnostic online learning. We resolve open questions posed by Attias et al. for both proper and improper learning.
Authors: Preslav Aleksandrov, Meghdad Kurmanji, Fernando Garcia Redondo, David O'Shea, William Shen, Alex Iacob, Lorenzo Sani, Xinchi Qiu, Nicola Cancedda, Nicholas D. Lane
Abstract: We introduce the Autoregressive Block-Based Iterative Encoder (AbbIE), a novel recursive generalization of the encoder-only Transformer architecture, which achieves better perplexity than a standard Transformer and allows for the dynamic scaling of compute resources at test time. This simple, recursive approach is a complement to scaling large language model (LLM) performance through parameter and token counts. AbbIE performs its iterations in latent space, but unlike latent reasoning models, does not require a specialized dataset or training protocol. We show that AbbIE upward generalizes (ability to generalize to arbitrary iteration lengths) at test time by only using 2 iterations during train time, far outperforming alternative iterative methods. AbbIE's ability to scale its computational expenditure based on the complexity of the task gives it an up to \textbf{12\%} improvement in zero-shot in-context learning tasks versus other iterative and standard methods and up to 5\% improvement in language perplexity. The results from this study open a new avenue to Transformer performance scaling. We perform all of our evaluations on model sizes up to 350M parameters.
Authors: Victor F. Lopes de Souza, Karima Bakhti, Sofiane Ramdani, Denis Mottet, Abdelhak Imoussaten
Abstract: Unsupervised classification is a fundamental machine learning problem. Real-world data often contain imperfections, characterized by uncertainty and imprecision, which are not well handled by traditional methods. Evidential clustering, based on Dempster-Shafer theory, addresses these challenges. This paper explores the underexplored problem of explaining evidential clustering results, which is crucial for high-stakes domains such as healthcare. Our analysis shows that, in the general case, representativity is a necessary and sufficient condition for decision trees to serve as abductive explainers. Building on the concept of representativity, we generalize this idea to accommodate partial labeling through utility functions. These functions enable the representation of "tolerable" mistakes, leading to the definition of evidential mistakeness as explanation cost and the construction of explainers tailored to evidential classifiers. Finally, we propose the Iterative Evidential Mistake Minimization (IEMM) algorithm, which provides interpretable and cautious decision tree explanations for evidential clustering functions. We validate the proposed algorithm on synthetic and real-world data. Taking into account the decision-maker's preferences, we were able to provide an explanation that was satisfactory up to 93% of the time.
Authors: Prateek Chanda, Saral Sureka, Parth Pratim Chatterjee, Krishnateja Killamsetty, Nikhil Shivakumar Nayak, Ganesh Ramakrishnan
Abstract: The performance of finetuned large language models (LLMs) hinges critically on the composition of the training mixture. However, selecting an optimal blend of task datasets remains a largely manual, heuristic driven process, with practitioners often relying on uniform or size based sampling strategies. We introduce TASKPGM, a principled and scalable framework for mixture optimization that selects continuous task proportions by minimizing an energy function over a Markov Random Field (MRF). Task relationships are modeled using behavioral divergences such as Jensen Shannon Divergence and Pointwise Mutual Information computed from the predictive distributions of single task finetuned models. Our method yields a closed form solution under simplex constraints and provably balances representativeness and diversity among tasks. We provide theoretical guarantees, including weak submodularity for budgeted variants, and demonstrate consistent empirical improvements on Llama 2 and Mistral across evaluation suites such as MMLU and BIGBench. Beyond performance, TASKPGM offers interpretable insights into task influence and mixture composition, making it a powerful tool for efficient and robust LLM finetuning.
Authors: Mihir Prabhudesai, Mengning Wu, Amir Zadeh, Katerina Fragkiadaki, Deepak Pathak
Abstract: Autoregressive (AR) models have long dominated the landscape of large language models, driving progress across a wide range of tasks. Recently, diffusion-based language models have emerged as a promising alternative, though their advantages over AR models remain underexplored. In this paper, we systematically study masked diffusion models in data-constrained settings-where training involves repeated passes over limited data-and find that they significantly outperform AR models when compute is abundant but data is scarce. Diffusion models make better use of repeated data, achieving lower validation loss and superior downstream performance. We interpret this advantage as implicit data augmentation: masked diffusion exposes the model to a diverse distribution of token orderings and prediction tasks, unlike AR's fixed left-to-right factorization. We find new scaling laws for diffusion models and derive a closed-form expression for the critical compute threshold at which diffusion begins to outperform AR. These results suggest that when data, not compute, is the bottleneck, diffusion models offer a compelling alternative to the standard AR paradigm. Our code is available at: https://diffusion-scaling.github.io.
Authors: Xing Hu, Haodong Chen, Qianqian Duan, Choon Ki Ahn, Huiliang Shang, Dawei Zhang
Abstract: With the global population increasing and arable land resources becoming increasingly limited, smart and precision agriculture have emerged as essential directions for sustainable agricultural development. Artificial intelligence (AI), particularly deep learning models, has been widely adopted in applications such as crop monitoring, pest detection, and yield prediction. Among recent generative models, diffusion models have demonstrated considerable potential in agricultural image processing, data augmentation, and remote sensing analysis. Compared to traditional generative adversarial networks (GANs), diffusion models exhibit greater training stability and superior image generation quality, effectively addressing challenges such as limited annotated datasets and imbalanced sample distributions in agricultural scenarios. This paper reviews recent advancements in the application of diffusion models within agriculture, focusing on their roles in crop disease and pest detection, remote sensing image enhancement, crop growth prediction, and agricultural resource management. Diffusion models have been found useful in improving tasks like image generation, denoising, and data augmentation in agriculture, especially when environmental noise or variability is present. While their high computational requirements and limited generalizability across domains remain concerns, the approach is gradually proving effective in real-world applications such as precision crop monitoring. As research progresses, these models may help support sustainable agriculture and address emerging challenges in food systems.
Authors: Guanghui Zhu, Xin Fang, Feng Cheng, Lei Wang, Wenzhong Chen, Chunfeng Yuan, Yihua Huang
Abstract: Machine learning has been making great success in many application areas. However, for the non-expert practitioners, it is always very challenging to address a machine learning task successfully and efficiently. Finding the optimal machine learning model or the hyperparameter combination set from a large number of possible alternatives usually requires considerable expert knowledge and experience. To tackle this problem, we propose a combined Bayesian Optimization and Adaptive Successive Filtering algorithm (BOASF) under a unified multi-armed bandit framework to automate the model selection or the hyperparameter optimization. Specifically, BOASF consists of multiple evaluation rounds in each of which we select promising configurations for each arm using the Bayesian optimization. Then, ASF can early discard the poor-performed arms adaptively using a Gaussian UCB-based probabilistic model. Furthermore, a Softmax model is employed to adaptively allocate available resources for each promising arm that advances to the next round. The arm with a higher probability of advancing will be allocated more resources. Experimental results show that BOASF is effective for speeding up the model selection and hyperparameter optimization processes while achieving robust and better prediction performance than the existing state-of-the-art automatic machine learning methods. Moreover, BOASF achieves better anytime performance under various time budgets.
Authors: Haris Khan, Sadia Asif, Shumaila Asif
Abstract: In real-world machine learning deployments, models must be continually updated, composed, and when required, selectively undone. However, existing approaches to model merging and continual learning often suffer from task interference, catastrophic forgetting, or lack of reversibility. We propose Modular Delta Merging with Orthogonal Constraints (MDM-OC), a novel framework that enables scalable, interference-free, and reversible composition of fine-tuned models. Each task-specific model is encoded as a delta from a shared base and projected into an orthogonal subspace to eliminate conflict. These projected deltas are then merged via gradient-based optimization to form a unified model that retains performance across tasks. Our approach supports continual integration of new models, structured unmerging for compliance such as GDPR requirements, and model stability via elastic weight consolidation and synthetic replay. Extensive experiments on vision and natural language processing benchmarks demonstrate that MDM-OC outperforms prior baselines in accuracy, backward transfer, and unmerge fidelity, while remaining memory-efficient and computationally tractable. This framework offers a principled solution for modular and compliant AI system design.
Authors: Ling Liao, Eva Aagaard
Abstract: Machine learning interpretation (MLI) has primarily been leveraged to foster clinician trust and extract insights from electronic health records (EHRs), rather than to guide subgroup-specific, operationalizable modeling strategies. To bridge this gap, we propose AdaptHetero, a novel MLI-driven framework that transforms interpretability insights into actionable guidance for tailoring model training and evaluation across subpopulations. Evaluated on three large-scale EHR datasets -- GOSSIS-1-eICU, WiDS, and MIMIC-IV -- AdaptHetero consistently uncovers heterogeneous model behaviors in predicting ICU mortality, in-hospital death, and hidden hypoxemia. Integrating SHAP-based interpretation with unsupervised clustering, AdaptHetero identifies clinically meaningful, subgroup-specific characteristics, improving predictive performance across many subpopulations (with gains up to 174.39 percent) while proactively flagging potential risks in others. These results highlight the framework's promise for more robust, equitable, and context-aware clinical deployment.
Authors: Shiva Raja, Cansu Demirkiran, Aakash Sarkar, Milos Popovic, Ajay Joshi
Abstract: Sequence modeling is crucial for AI to understand temporal data and detect complex time-dependent patterns. While recurrent neural networks (RNNs), convolutional neural networks (CNNs), and Transformers have advanced in capturing long-range dependencies, they struggle with achieving high accuracy with very long sequences due to limited memory retention (fixed context window). State-Space Models (SSMs) leverage exponentially decaying memory enabling lengthy context window and so they process very long data sequences more efficiently than recurrent and Transformer-based models. Unlike traditional neural models like CNNs and RNNs, SSM-based models require solving differential equations through continuous integration, making training and inference both compute- and memory-intensive on conventional CPUs and GPUs. In this paper we introduce a specialized hardware accelerator, EpochCore, for accelerating SSMs. EpochCore is based on systolic arrays (SAs) and is designed to enhance the energy efficiency and throughput of inference of SSM-based models for long-range sequence tasks. Within the SA, we propose a versatile processing element (PE) called LIMA-PE to perform traditional and specialized MAC operations to support traditional DNNs and SSMs. To complement the EpochCore microarchitecture, we propose a novel dataflow, ProDF, which enables highly efficient execution of SSM-based models. By leveraging the LIMA-PE microarchitecture and ProDF, EpochCore achieves on average 2000x improvement in performance on LRA datasets compared to a GPU and 250x gains in performance and 45x improvement in energy efficiency, over traditional SA-based accelerators (TPU).
Authors: Amber Huang, Ian Scott Knight, Slava Naprienko
Abstract: LIT-PCBA is widely used to benchmark virtual screening models, but our audit reveals that it is fundamentally compromised. We find extensive data leakage and molecular redundancy across its splits, including 2D-identical ligands within and across partitions, pervasive analog overlap, and low-diversity query sets. In ALDH1 alone, for instance, 323 active training -- validation analog pairs occur at ECFP4 Tanimoto similarity $\geq 0.6$; across all targets, 2,491 2D-identical inactives appear in both training and validation, with very few corresponding actives. These overlaps allow models to succeed through scaffold memorization rather than generalization, inflating enrichment factors and AUROC scores. These flaws are not incidental -- they are so severe that a trivial memorization-based baseline with no learnable parameters can exploit them to match or exceed the reported performance of state-of-the-art deep learning and 3D-similarity models. As a result, nearly all published results on LIT-PCBA are undermined. Even models evaluated in "zero-shot" mode are affected by analog leakage into the query set, weakening claims of generalization. In its current form, the benchmark does not measure a model's ability to recover novel chemotypes and should not be taken as evidence of methodological progress. All code, data, and baseline implementations are available at: https://github.com/sievestack/LIT-PCBA-audit
Authors: Zhuo Yang, Jiaqing Xie, Shuaike Shen, Daolang Wang, Yeyun Chen, Ben Gao, Shuzhou Sun, Biqing Qi, Dongzhan Zhou, Lei Bai, Linjiang Chen, Shufei Zhang, Jun Jiang, Tianfan Fu, Yuqiang Li
Abstract: Deep learning holds immense promise for spectroscopy, yet research and evaluation in this emerging field often lack standardized formulations. To address this issue, we introduce SpectrumLab, a pioneering unified platform designed to systematize and accelerate deep learning research in spectroscopy. SpectrumLab integrates three core components: a comprehensive Python library featuring essential data processing and evaluation tools, along with leaderboards; an innovative SpectrumAnnotator module that generates high-quality benchmarks from limited seed data; and SpectrumBench, a multi-layered benchmark suite covering 14 spectroscopic tasks and over 10 spectrum types, featuring spectra curated from over 1.2 million distinct chemical substances. Thorough empirical studies on SpectrumBench with 18 cutting-edge multimodal LLMs reveal critical limitations of current approaches. We hope SpectrumLab will serve as a crucial foundation for future advancements in deep learning-driven spectroscopy.
Authors: Lei Pang, Ruinan Jin
Abstract: Group Relative Policy Optimization (GRPO), recently proposed by DeepSeek, is a critic-free reinforcement learning algorithm for fine tuning large language models. It replaces the value function in Proximal Policy Optimization (PPO) with group normalized rewards, while retaining PPO style token level importance sampling based on an old policy. We show that GRPO update rule in fact estimates the policy gradient at the old policy rather than the current one. However, since the old policy is refreshed every few steps, the discrepancy between the two remains small limiting the impact of this bias in practice. We validate this through an ablation study in which importance sampling is entirely removed, and updates are instead performed using the gradient estimated at a fixed old policy across multiple optimization steps. Remarkably, this simplification results in performance comparable to standard GRPO. Motivated by these findings, we propose a new algorithm: Trajectory level Importance Corrected GRPO (TIC GRPO). TIC GRPO replaces token level importance ratios with a single trajectory level probability ratio, yielding an unbiased estimate of the current policy gradient while preserving the critic free structure. Furthermore, we present the first theoretical convergence analysis for GRPO style methods, covering both the original GRPO and our proposed variant.
Authors: Arthur Cho
Abstract: Generative Machine Learning models have become central to modern systems, powering applications in creative writing, summarization, multi-hop reasoning, and context-aware dialogue. These models underpin large-scale AI assistants, workflow automation, and autonomous decision-making. In such domains, acceptable response is rarely absolute or static, but plural and highly context-dependent. Yet standard evaluation regimes still rely on static, benchmark-style tests, incentivizing optimization toward leaderboard scores rather than alignment with dynamic user needs or evolving realities. GrandJury introduces a formal evaluation protocol combining time-decayed aggregation, complete traceability, with the support of dynamic, transparent task rubric attribution, and multi-rater human judgment. Together, these elements enable pluralistic, accountable evaluation that captures evolving consensus and surfaces disagreement. We provide an open-source implementation (grandjury PyPI package) and a public collection of Large Language Model (LLM) inference outputs to illustrate the need and method. GrandJury provides a new paradigm for AI practitioners when evaluating machine learning outputs without absolute ground truth.
Authors: Neng Kai Nigel Neo, Lim Jing, Ngoui Yong Zhau Preston, Koh Xue Ting Serene, Bingquan Shen
Abstract: A common approach to the de novo molecular generation problem from mass spectra involves a two-stage pipeline: (1) encoding mass spectra into molecular fingerprints, followed by (2) decoding these fingerprints into molecular structures. In our work, we adopt MIST as the encoder and MolForge as the decoder, leveraging pretraining to enhance performance. Notably, pretraining MolForge proves especially effective, enabling it to serve as a robust fingerprint-to-structure decoder. Additionally, instead of passing the probability of each bit in the fingerprint, thresholding the probabilities as a step function helps focus the decoder on the presence of substructures, improving recovery of accurate molecular structures even when the fingerprints predicted by MIST only moderately resembles the ground truth in terms of Tanimoto similarity. This combination of encoder and decoder results in a tenfold improvement over previous state-of-the-art methods, generating top-1 28% / top-10 36% of molecular structures correctly from mass spectra. We position this pipeline as a strong baseline for future research in de novo molecule elucidation from mass spectra.
Authors: Lingwei Zhu, Zheng Chen, Han Wang, Yukie Nagai
Abstract: This paper introduces symmetric divergences to behavior regularization policy optimization (BRPO) to establish a novel offline RL framework. Existing methods focus on asymmetric divergences such as KL to obtain analytic regularized policies and a practical minimization objective. We show that symmetric divergences do not permit an analytic policy as regularization and can incur numerical issues as loss. We tackle these challenges by the Taylor series of $f$-divergence. Specifically, we prove that an analytic policy can be obtained with a finite series. For loss, we observe that symmetric divergences can be decomposed into an asymmetry and a conditional symmetry term, Taylor-expanding the latter alleviates numerical issues. Summing together, we propose Symmetric $f$ Actor-Critic (S$f$-AC), the first practical BRPO algorithm with symmetric divergences. Experimental results on distribution approximation and MuJoCo verify that S$f$-AC performs competitively.
Authors: Ali Taheri Ghahrizjani, Alireza Taban, Qizhou Wang, Shanshan Ye, Abdolreza Mirzaei, Tongliang Liu, Bo Han
Abstract: Supervised fine-tuning (SFT) plays a critical role for pretrained large language models (LLMs), notably enhancing their capacity to acquire domain-specific knowledge while preserving or potentially augmenting their general-purpose capabilities. However, the efficacy of SFT hinges on data quality as well as data volume, otherwise it may result in limited performance gains or even degradation relative to the associated baselines. To mitigate such reliance, we suggest categorizing tokens within each corpus into two parts -- positive and negative tokens -- based on whether they are useful to improve model performance. Positive tokens can be trained in common ways, whereas negative tokens, which may lack essential semantics or be misleading, should be explicitly forgotten. Overall, the token categorization facilitate the model to learn less informative message, and the forgetting process shapes a knowledge boundary to guide the model on what information to learn more precisely. We conduct experiments on well-established benchmarks, finding that this forgetting mechanism not only improves overall model performance and also facilitate more diverse model responses.
Authors: Md Zesun Ahmed Mia, Malyaban Bal, Sen Lu, George M. Nishibuchi, Suhas Chelian, Srini Vasan, Abhronil Sengupta
Abstract: Inspired by the brain's hierarchical processing and energy efficiency, this paper presents a Spiking Neural Network (SNN) architecture for lifelong Network Intrusion Detection System (NIDS). The proposed system first employs an efficient static SNN to identify potential intrusions, which then activates an adaptive dynamic SNN responsible for classifying the specific attack type. Mimicking biological adaptation, the dynamic classifier utilizes Grow When Required (GWR)-inspired structural plasticity and a novel Adaptive Spike-Timing-Dependent Plasticity (Ad-STDP) learning rule. These bio-plausible mechanisms enable the network to learn new threats incrementally while preserving existing knowledge. Tested on the UNSW-NB15 benchmark in a continual learning setting, the architecture demonstrates robust adaptation, reduced catastrophic forgetting, and achieves $85.3$\% overall accuracy. Furthermore, simulations using the Intel Lava framework confirm high operational sparsity, highlighting the potential for low-power deployment on neuromorphic hardware.
Authors: Jongyeong Lee, Junya Honda, Masashi Sugiyama
Abstract: This paper studies the fixed-confidence best arm identification (BAI) problem in the bandit framework in the canonical single-parameter exponential models. For this problem, many policies have been proposed, but most of them require solving an optimization problem at every round and/or are forced to explore an arm at least a certain number of times except those restricted to the Gaussian model. To address these limitations, we propose a novel policy that combines Thompson sampling with a computationally efficient approach known as the best challenger rule. While Thompson sampling was originally considered for maximizing the cumulative reward, we demonstrate that it can be used to naturally explore arms in BAI without forcing it. We show that our policy is asymptotically optimal for any two-armed bandit problems and achieves near optimality for general $K$-armed bandit problems for $K\geq 3$. Nevertheless, in numerical experiments, our policy shows competitive performance compared to asymptotically optimal policies in terms of sample complexity while requiring less computation cost. In addition, we highlight the advantages of our policy by comparing it to the concept of $\beta$-optimality, a relaxed notion of asymptotic optimality commonly considered in the analysis of a class of policies including the proposed one.
Authors: Lei Zhao, Aishwarya Natarajan, Luca Buonanno, Archit Gajjar, Ron M. Roth, Sergey Serebryakov, John Moon, Jim Ignowski, Giacomo Pedretti
Abstract: Transformer models represent the cutting edge of Deep Neural Networks (DNNs) and excel in a wide range of machine learning tasks. However, processing these models demands significant computational resources and results in a substantial memory footprint. While In-memory Computing (IMC)offers promise for accelerating Vector-Matrix Multiplications(VMMs) with high computational parallelism and minimal data movement, employing it for other crucial DNN operators remains a formidable task. This challenge is exacerbated by the extensive use of complex activation functions, Softmax, and data-dependent matrix multiplications (DMMuls) within Transformer models. To address this challenge, we introduce a Reconfigurable Analog Computing Engine (RACE) by enhancing Analog Content Addressable Memories (ACAMs) to support broader operations. Based on the RACE, we propose the RACE-IT accelerator (meaning RACE for In-memory Transformers) to enable efficient analog-domain execution of all core operations of Transformer models. Given the flexibility of our proposed RACE in supporting arbitrary computations, RACE-IT is well-suited for adapting to emerging and non-traditional DNN architectures without requiring hardware modifications. We compare RACE-IT with various accelerators. Results show that RACE-IT increases performance by 453x and 15x, and reduces energy by 354x and 122x over the state-of-the-art GPUs and existing Transformer-specific IMC accelerators, respectively.
Authors: Benjamin Plaut, Nguyen X. Khanh, Tu Trinh
Abstract: We study 15 large language models (LLMs) fine-tuned for chat and find that their maximum softmax probabilities (MSPs) are consistently miscalibrated on multiple-choice Q&A. However, those MSPs might still encode useful uncertainty information. Specifically, we hypothesized that wrong answers would be associated with smaller MSPs compared to correct answers. Via rigorous statistical testing, we show that this hypothesis holds for models which perform well on the underlying Q&A task. We also find a strong direction correlation between Q&A accuracy and MSP correctness prediction, while finding no correlation between Q&A accuracy and calibration error. This suggests that within the current fine-tuning paradigm, we can expect correctness prediction but not calibration to improve as LLM capabilities progress. To demonstrate the utility of correctness prediction, we show that when models have the option to abstain, performance can be improved by selectively abstaining based on the MSP of the initial model response, using only a small amount of labeled data to choose the MSP threshold.
Authors: Yiran Wang, Yimin Zhong
Abstract: The limited angle Radon transform is notoriously difficult to invert due to its ill-posedness. In this work, we give a mathematical explanation that data-driven approaches can stably reconstruct more information compared to traditional methods like filtered backprojection. In addition, we use experiments based on the U-Net neural network to validate our theory.
Authors: Yin Li, Qi Chen, Kai Wang, Meige Li, Liping Si, Yingwei Guo, Yu Xiong, Qixing Wang, Yang Qin, Ling Xu, Patrick van der Smagt, Jun Tang, Nutan Chen
Abstract: Multi-modality magnetic resonance imaging(MRI) data facilitate the early diagnosis, tumor segmentation, and disease staging in the management of nasopharyngeal carcinoma (NPC). The lack of publicly available, comprehensive datasets limits advancements in diagnosis, treatment planning, and the development of machine learning algorithms for NPC. Addressing this critical need, we introduce the first comprehensive NPC MRI dataset, encompassing MR axial imaging of 277 primary NPC patients. This dataset includes T1-weighted, T2-weighted, and contrast-enhanced T1-weighted sequences, totaling 831 scans. In addition to the corresponding clinical data, manually annotated and labeled segmentations by experienced radiologists offer high-quality data resources from untreated primary NPC.
Authors: Furui Cheng, Vil\'em Zouhar, Robin Shing Moon Chan, Daniel F\"urst, Hendrik Strobelt, Mennatallah El-Assady
Abstract: Understanding the behavior of large language models (LLMs) is crucial for ensuring their safe and reliable use. However, existing explainable AI (XAI) methods for LLMs primarily rely on word-level explanations, which are often computationally inefficient and misaligned with human reasoning processes. Moreover, these methods often treat explanation as a one-time output, overlooking its inherently interactive and iterative nature. In this paper, we present LLM Analyzer, an interactive visualization system that addresses these limitations by enabling intuitive and efficient exploration of LLM behaviors through counterfactual analysis. Our system features a novel algorithm that generates fluent and semantically meaningful counterfactuals via targeted removal and replacement operations at user-defined levels of granularity. These counterfactuals are used to compute feature attribution scores, which are then integrated with concrete examples in a table-based visualization, supporting dynamic analysis of model behavior. A user study with LLM practitioners and interviews with experts demonstrate the system's usability and effectiveness, emphasizing the importance of involving humans in the explanation process as active participants rather than passive recipients.
Authors: Bingyu Li, Da Zhang, Zhiyuan Zhao, Junyu Gao, Xuelong Li
Abstract: Multimodal semantic segmentation shows significant potential for enhancing segmentation accuracy in complex scenes. However, current methods often incorporate specialized feature fusion modules tailored to specific modalities, thereby restricting input flexibility and increasing the number of training parameters. To address these challenges, we propose StitchFusion, a straightforward yet effective modal fusion framework that integrates large-scale pre-trained models directly as encoders and feature fusers. This approach facilitates comprehensive multi-modal and multi-scale feature fusion, accommodating any visual modal inputs. Specifically, Our framework achieves modal integration during encoding by sharing multi-modal visual information. To enhance information exchange across modalities, we introduce a multi-directional adapter module (MultiAdapter) to enable cross-modal information transfer during encoding. By leveraging MultiAdapter to propagate multi-scale information across pre-trained encoders during the encoding process, StitchFusion achieves multi-modal visual information integration during encoding. Extensive comparative experiments demonstrate that our model achieves state-of-the-art performance on four multi-modal segmentation datasets with minimal additional parameters. Furthermore, the experimental integration of MultiAdapter with existing Feature Fusion Modules (FFMs) highlights their complementary nature. Our code is available at StitchFusion_repo.
Authors: Ingo Ziegler, Abdullatif K\"oksal, Desmond Elliott, Hinrich Sch\"utze
Abstract: Building high-quality datasets for specialized tasks is a time-consuming and resource-intensive process that often requires specialized domain knowledge. We propose Corpus Retrieval and Augmentation for Fine-Tuning (CRAFT), a method for generating synthetic datasets, given a small number of user-written few-shots that demonstrate the task to be performed. Given these examples, CRAFT uses large-scale public web-crawled corpora and similarity-based document retrieval to find other relevant human-written documents. Lastly, instruction-tuned large language models (LLMs) augment the retrieved documents into custom-formatted task samples, which then can be used for fine-tuning. We demonstrate that CRAFT can efficiently generate large-scale task-specific training datasets for four diverse tasks: biology, medicine, and commonsense question-answering (QA), as well as summarization. Our experiments show that CRAFT-based models outperform or match general LLMs on QA tasks, while exceeding models trained on human-curated summarization data by 46 preference points. CRAFT outperforms other synthetic dataset generation methods such as Self- and Evol-Instruct, and remains robust even when the quality of the initial few-shots varies.
Authors: Daniel J. Tan, Qianyi Xu, Kay Choong See, Dilruk Perera, Mengling Feng
Abstract: In healthcare, multi-organ system diseases pose unique and significant challenges as they impact multiple physiological systems concurrently, demanding complex and coordinated treatment strategies. Despite recent advancements in the AI based clinical decision support systems, these solutions only focus on individual organ systems, failing to account for complex interdependencies between them. This narrow focus greatly hinders their effectiveness in recommending holistic and clinically actionable treatments in the real world setting. To address this critical gap, we propose a novel Hierarchical Multi-Agent Reinforcement Learning (HMARL) framework. Our architecture deploys specialized and dedicated agents for each organ system and facilitates inter-agent communication to enable synergistic decision-making across organ systems. Furthermore, we introduce a dual-layer state representation technique that contextualizes patient conditions at both global and organ-specific levels, improving the accuracy and relevance of treatment decisions. We evaluate our HMARL solution on the task of sepsis management, a common and critical multi-organ disease, using both qualitative and quantitative metrics. Our method learns effective, clinically aligned treatment policies that considerably improve patient survival. We believe this framework represents a significant advancement in clinical decision support systems, introducing the first RL solution explicitly designed for multi-organ treatment recommendations. Our solution moves beyond prevailing simplified, single-organ models that fall short in addressing the complexity of multi-organ diseases.
Authors: Gil Ayache, Menachem Pirchi, Aviv Navon, Aviv Shamsian, Gill Hetz, Joseph Keshet
Abstract: Integrating named entity recognition (NER) with automatic speech recognition (ASR) can significantly enhance transcription accuracy and informativeness. In this paper, we introduce WhisperNER, a novel model that allows joint speech transcription and entity recognition. WhisperNER supports open-type NER, enabling recognition of diverse and evolving entities at inference. Building on recent advancements in open NER research, we augment a large synthetic dataset with synthetic speech samples. This allows us to train WhisperNER on a large number of examples with diverse NER tags. During training, the model is prompted with NER labels and optimized to output the transcribed utterance along with the corresponding tagged entities. To evaluate WhisperNER, we generate synthetic speech for commonly used NER benchmarks and annotate existing ASR datasets with open NER tags. Our experiments demonstrate that WhisperNER outperforms natural baselines on both out-of-domain open type NER and supervised finetuning.
Authors: Murong Yue, Wenlin Yao, Haitao Mi, Dian Yu, Ziyu Yao, Dong Yu
Abstract: Enhancing the capability of large language models (LLMs) in reasoning has gained significant attention in recent years. Previous studies have demonstrated the effectiveness of various prompting strategies in aiding LLMs in reasoning (called "reasoning actions"), such as step-by-step thinking, reflecting before answering, solving with programs, and their combinations. However, these approaches often applied static, predefined reasoning actions uniformly to all questions, without considering the specific characteristics of each question or the capability of the task-solving LLM. In this paper, we propose DOTS, an approach enabling LLMs to reason dynamically via optimal reasoning trajectory search, tailored to the specific characteristics of each question and the inherent capability of the task-solving LLM. Our approach involves three key steps: i) defining atomic reasoning action modules that can be composed into various reasoning action trajectories; ii) searching for the optimal action trajectory for each training question through iterative exploration and evaluation for the specific task-solving LLM; and iii) using the collected optimal trajectories to train an LLM to plan for the reasoning trajectories of unseen questions. In particular, we propose two learning paradigms, i.e., fine-tuning an external LLM as a planner to guide the task-solving LLM, or directly fine-tuning the task-solving LLM with an internalized capability for reasoning actions planning. Our experiments across eight reasoning tasks show that our method consistently outperforms static reasoning techniques and the vanilla instruction tuning approach. Further analysis reveals that our method enables LLMs to adjust their computation based on problem complexity, allocating deeper thinking and reasoning to harder problems.
Authors: Marina Sheshukova, Denis Belomestny, Alain Durmus, Eric Moulines, Alexey Naumov, Sergey Samsonov
Abstract: We address the problem of solving strongly convex and smooth minimization problems using stochastic gradient descent (SGD) algorithm with a constant step size. Previous works suggested to combine the Polyak-Ruppert averaging procedure with the Richardson-Romberg extrapolation to reduce the asymptotic bias of SGD at the expense of a mild increase of the variance. We significantly extend previous results by providing an expansion of the mean-squared error of the resulting estimator with respect to the number of iterations $n$. We show that the root mean-squared error can be decomposed into the sum of two terms: a leading one of order $\mathcal{O}(n^{-1/2})$ with explicit dependence on a minimax-optimal asymptotic covariance matrix, and a second-order term of order $\mathcal{O}(n^{-3/4})$, where the power $3/4$ is best known. We also extend this result to the higher-order moment bounds. Our analysis relies on the properties of the SGD iterates viewed as a time-homogeneous Markov chain. In particular, we establish that this chain is geometrically ergodic with respect to a suitably defined weighted Wasserstein semimetric.
Authors: Zeyu Cao, Boyang Gu, Cheng Zhang, Pedro Gimenes, Jianqiao Lu, Jianyi Cheng, Xitong Gao, Yiren Zhao
Abstract: Post-training quantization of Large Language Models (LLMs) has proven effective in reducing the memory and computational requirements for inference. In this study, we focus on a straightforward question: When aiming for a target accuracy or perplexity with low-precision quantization, how much high-precision computation needs to be preserved, and how fine-grained this quantization would need to be as we scale LLMs to larger sizes? We first introduce two critical metrics, named the quantization ratio ($Q_r$) and quantization block size ($Q_b$). The former measures the number of parameters quantized to low-precision arithmetic normalized by the total parameter count, whereas the latter defines the number of values within a block that share a scaling factor, akin to the block size concept introduced in the FP4 format in NVIDIA's Blackwell architecture. Through extensive and carefully controlled experiments across different models and quantization methods, we propose a unified scaling law on post-training quantization (PTQ) that can predict loss degeneration for varying $Q_r$ and $Q_b$. For $Q_r$, our scaling law implies that parameter scaling and ratio scaling have a multiplicative relationship. Consequently, larger models are more amenable to a higher quantization ratio $Q_r$, thus supporting an increase in the adoption of mixed quantization for inference. Regarding $Q_b$, our findings indicate that a small block size, similar to that used in Blackwell, is not essential for large models. Employing a small $Q_b$ can instead unnecessarily complicate the design of the hardware circuit.
Authors: Alexander Jenkins, Thiernithi Variddhisai, Ahmed El-Medany, Fu Siong Ng, Danilo Mandic
Abstract: Graph Signal Processing (GSP) provides a powerful framework for analysing complex, interconnected systems by modelling data as signals on graphs. While recent advances have enabled graph topology learning from observed signals, existing methods often struggle with time-varying systems and real-time applications. To address this gap, we introduce AdaCGP, a sparsity-aware adaptive algorithm for dynamic graph topology estimation from multivariate time series. AdaCGP estimates the Graph Shift Operator (GSO) through recursive update formulae designed to address sparsity, shift-invariance, and bias. Through comprehensive simulations, we demonstrate that AdaCGP consistently outperforms multiple baselines across diverse graph topologies, achieving improvements exceeding 83% in GSO estimation compared to state-of-the-art methods while maintaining favourable computational scaling properties. Our variable splitting approach enables reliable identification of causal connections with near-zero false alarm rates and minimal missed edges. Applied to cardiac fibrillation recordings, AdaCGP tracks dynamic changes in propagation patterns more effectively than established methods like Granger causality, capturing temporal variations in graph topology that static approaches miss. The algorithm successfully identifies stability characteristics in conduction patterns that may maintain arrhythmias, demonstrating potential for clinical applications in diagnosis and treatment of complex biomedical systems.
Authors: Ehsan Kabir, Jason D. Bakos, David Andrews, Miaoqing Huang
Abstract: Transformer neural networks (TNN) excel in natural language processing (NLP), machine translation, and computer vision (CV) without relying on recurrent or convolutional layers. However, they have high computational and memory demands, particularly on resource-constrained devices like FPGAs. Moreover, transformer models vary in processing time across applications, requiring custom models with specific parameters. Designing custom accelerators for each model is complex and time-intensive. Some custom accelerators exist with no runtime adaptability, and they often rely on sparse matrices to reduce latency. However, hardware designs become more challenging due to the need for application-specific sparsity patterns. This paper introduces ADAPTOR, a runtime-adaptive accelerator for dense matrix computations in transformer encoders and decoders on FPGAs. ADAPTOR enhances the utilization of processing elements and on-chip memory, enhancing parallelism and reducing latency. It incorporates efficient matrix tiling to distribute resources across FPGA platforms and is fully quantized for computational efficiency and portability. Evaluations on Xilinx Alveo U55C data center cards and embedded platforms like VC707 and ZCU102 show that our design is 1.2$\times$ and 2.87$\times$ more power efficient than the NVIDIA K80 GPU and the i7-8700K CPU respectively. Additionally, it achieves a speedup of 1.7 to 2.25$\times$ compared to some state-of-the-art FPGA-based accelerators.
Authors: Cheng-Fu Yang, Da Yin, Wenbo Hu, Heng Ji, Nanyun Peng, Bolei Zhou, Kai-Wei Chang
Abstract: Humans recognize objects after observing only a few examples, a remarkable capability enabled by their inherent language understanding of the real-world environment. Developing verbalized and interpretable representation can significantly improve model generalization in low-data settings. In this work, we propose Verbalized Representation Learning (VRL), a novel approach for automatically extracting human-interpretable features for object recognition using few-shot data. Our method uniquely captures inter-class differences and intra-class commonalities in the form of natural language by employing a Vision-Language Model (VLM) to identify key discriminative features between different classes and shared characteristics within the same class. These verbalized features are then mapped to numeric vectors through the VLM. The resulting feature vectors can be further utilized to train and infer with downstream classifiers. Experimental results show that, at the same model scale, VRL achieves a 24% absolute improvement over prior state-of-the-art methods while using 95% less data and a smaller mode. Furthermore, compared to human-labeled attributes, the features learned by VRL exhibit a 20% absolute gain when used for downstream classification tasks. Code is available at: https://github.com/joeyy5588/VRL/tree/main.
Authors: Jungbin Cho, Junwan Kim, Jisoo Kim, Minseo Kim, Mingu Kang, Sungeun Hong, Tae-Hyun Oh, Youngjae Yu
Abstract: Human motion is inherently continuous and dynamic, posing significant challenges for generative models. While discrete generation methods are widely used, they suffer from limited expressiveness and frame-wise noise artifacts. In contrast, continuous approaches produce smoother, more natural motion but often struggle to adhere to conditioning signals due to high-dimensional complexity and limited training data. To resolve this 'discord' between discrete and continuous representations we introduce DisCoRD: Discrete Tokens to Continuous Motion via Rectified Flow Decoding, a novel method that leverages rectified flow to decode discrete motion tokens in the continuous, raw motion space. Our core idea is to frame token decoding as a conditional generation task, ensuring that DisCoRD captures fine-grained dynamics and achieves smoother, more natural motions. Compatible with any discrete-based framework, our method enhances naturalness without compromising faithfulness to the conditioning signals on diverse settings. Extensive evaluations demonstrate that DisCoRD achieves state-of-the-art performance, with FID of 0.032 on HumanML3D and 0.169 on KIT-ML. These results establish DisCoRD as a robust solution for bridging the divide between discrete efficiency and continuous realism. Project website: https://whwjdqls.github.io/discord-motion/
Authors: Haoran Ding, No\'emie Jaquier, Jan Peters, Leonel Rozo
Abstract: Diffusion-based visuomotor policies excel at learning complex robotic tasks by effectively combining visual data with high-dimensional, multi-modal action distributions. However, diffusion models often suffer from slow inference due to costly denoising processes or require complex sequential training arising from recent distilling approaches. This paper introduces Riemannian Flow Matching Policy (RFMP), a model that inherits the easy training and fast inference capabilities of flow matching (FM). Moreover, RFMP inherently incorporates geometric constraints commonly found in realistic robotic applications, as the robot state resides on a Riemannian manifold. To enhance the robustness of RFMP, we propose Stable RFMP (SRFMP), which leverages LaSalle's invariance principle to equip the dynamics of FM with stability to the support of a target Riemannian distribution. Rigorous evaluation on ten simulated and real-world tasks show that RFMP successfully learns and synthesizes complex sensorimotor policies on Euclidean and Riemannian spaces with efficient training and inference phases, outperforming Diffusion Policies and Consistency Policies.
Authors: Kalle Kujanp\"a\"a, Pekka Marttinen, Harri Valpola, Alexander Ilin
Abstract: In many practical applications, large language models (LLMs) need to acquire new knowledge not present in their pre-training data. Efficiently leveraging this knowledge usually relies on supervised fine-tuning or retrieval-augmented generation (RAG). Although RAG has emerged as the industry standard for knowledge injection, fine-tuning has not yet achieved comparable success. This paper proposes utilizing prompt distillation, a self-distillation-based method previously explored primarily for style alignment and instruction tuning, to internalize new factual knowledge from free-form documents. Unlike prior methods, our approach requires neither larger teacher models nor structured knowledge formats. Across multiple LLM sizes and model families, we show that prompt distillation outperforms standard supervised fine-tuning and can even surpass RAG. We analyze the key factors contributing to prompt distillation's effectiveness and examine how it scales.
Authors: Wenhao Dong, Yueyang Li, Weiming Zeng, Lei Chen, Hongjie Yan, Wai Ting Siok, Nizhuan Wang
Abstract: Many existing methods that use functional magnetic resonance imaging (fMRI) classify brain disorders, such as autism spectrum disorder (ASD) and attention deficit hyperactivity disorder (ADHD), often overlook the integration of spatial and temporal dependencies of the blood oxygen level-dependent (BOLD) signals, which may lead to inaccurate or imprecise classification results. To solve this problem, we propose a Spatio-Temporal Aggregation eorganization ransformer (STARFormer) that effectively captures both spatial and temporal features of BOLD signals by incorporating three key modules. The region of interest (ROI) spatial structure analysis module uses eigenvector centrality (EC) to reorganize brain regions based on effective connectivity, highlighting critical spatial relationships relevant to the brain disorder. The temporal feature reorganization module systematically segments the time series into equal-dimensional window tokens and captures multiscale features through variable window and cross-window attention. The spatio-temporal feature fusion module employs a parallel transformer architecture with dedicated temporal and spatial branches to extract integrated features. The proposed STARFormer has been rigorously evaluated on two publicly available datasets for the classification of ASD and ADHD. The experimental results confirm that the STARFormer achieves state-of-the-art performance across multiple evaluation metrics, providing a more accurate and reliable tool for the diagnosis of brain disorders and biomedical research. The codes are available at: https://github.com/NZWANG/STARFormer.
Authors: Serkan Sulun, Paula Viana, Matthew E. P. Davies
Abstract: We introduce EMSYNC, a video-based symbolic music generation model that aligns music with a video's emotional content and temporal boundaries. It follows a two-stage framework, where a pretrained video emotion classifier extracts emotional features, and a conditional music generator produces MIDI sequences guided by both emotional and temporal cues. We introduce boundary offsets, a novel temporal conditioning mechanism that enables the model to anticipate and align musical chords with scene cuts. Unlike existing models, our approach retains event-based encoding, ensuring fine-grained timing control and expressive musical nuances. We also propose a mapping scheme to bridge the video emotion classifier, which produces discrete emotion categories, with the emotion-conditioned MIDI generator, which operates on continuous-valued valence-arousal inputs. In subjective listening tests, EMSYNC outperforms state-of-the-art models across all subjective metrics, for music theory-aware participants as well as the general listeners.
Authors: Yifei Xu, Tusher Chakraborty, Emre K{\i}c{\i}man, Bibek Aryal, Eduardo Rodrigues, Srinagesh Sharma, Roberto Estevao, Maria Angels de Luis Balaguer, Jessica Wolk, Rafael Padilha, Leonardo Nunes, Shobana Balakrishnan, Songwu Lu, Ranveer Chandra
Abstract: Fine-tuning large language models (LLMs) to align with user preferences is challenging due to the high cost of quality human annotations in Reinforcement Learning from Human Feedback (RLHF) and the generalizability limitations of AI Feedback. To address these challenges, we propose RLTHF, a human-AI hybrid framework that combines LLM-based initial alignment with selective human annotations to achieve full-human annotation alignment with minimal effort. RLTHF identifies hard-to-annotate samples mislabeled by LLMs using a reward model's reward distribution and iteratively enhances alignment by integrating strategic human corrections while leveraging LLM's correctly labeled samples. Evaluations on HH-RLHF and TL;DR datasets show that RLTHF reaches full-human annotation-level alignment with only 6-7% of the human annotation effort. Furthermore, models trained on RLTHF's curated datasets for downstream tasks outperform those trained on fully human-annotated datasets, underscoring the effectiveness of RLTHF.
Authors: Gustav Schmidt, Holger Heidrich, Philipp Berens, Sarah M\"uller
Abstract: Learning from noisy ordinal labels is a key challenge in medical imaging. In this work, we ask whether ordinal disease progression labels (better, worse, or stable) can be used to learn a representation allowing to classify disease state. For neovascular age-related macular degeneration (nAMD), we cast the problem of modeling disease progression between medical visits as a classification task with ordinal ranks. To enhance generalization, we tailor our model to the problem setting by (1) independent image encoding, (2) antisymmetric logit space equivariance, and (3) ordinal scale awareness. In addition, we address label noise by learning an uncertainty estimate for loss re-weighting. Our approach learns an interpretable disease representation enabling strong few-shot performance for the related task of nAMD activity classification from single images, despite being trained only on image pairs with ordinal disease progression labels.
Authors: Hossein Entezari Zarch, Lei Gao, Chaoyi Jiang, Murali Annavaram
Abstract: Speculative Decoding (SD) is a widely used approach to accelerate the inference of large language models (LLMs) without reducing generation quality. It operates by first using a compact model to draft multiple tokens efficiently, followed by parallel verification using the target LLM. This approach leads to faster inference compared to auto-regressive decoding. While there are multiple approaches to create a draft model, one promising approach is to use early-exit methods. These methods draft candidate tokens by using a subset of layers of the primary model and applying the remaining layers for verification, allowing a single model to handle both drafting and verification. While this technique reduces memory usage and computational cost, its performance relies on the choice of the exit layer for drafting and the number of tokens drafted (speculation length) in each SD round. Prior works use hyperparameter exploration to statically select these values. However, our evaluations show that these hyperparameter values are task-specific, and even within a task they are dependent on the current sequence context. We introduce DEL (Dynamic Exit Layer), a plug-and-play method that adaptively selects the exit layer and speculation length during inference. DEL dynamically tracks the token acceptance rate if the tokens are drafted at each layer of an LLM and uses that knowledge to heuristically select the optimal exit layer and speculation length. Our experiments across a broad range of models and downstream tasks show that DEL achieves overall speedups of $2.16\times$$\sim$$2.62\times$ over vanilla auto-regressive decoding and improves upon state-of-the-art SD methods, which peak at $2.43\times$, by up to $0.19\times$. The code is available at https://github.com/hoenza/DEL.
Authors: Constantinos Tsakonas, Konstantinos Chatzilygeroudis
Abstract: Quality-Diversity algorithms have transformed optimization by prioritizing the discovery of diverse, high-performing solutions over a single optimal result. However, traditional Quality-Diversity methods, such as MAP-Elites, rely heavily on predefined behavior descriptors and complete prior knowledge of the task to define the behavior space grid, limiting their flexibility and applicability. In this work, we introduce Vector Quantized-Elites (VQ-Elites), a novel Quality-Diversity algorithm that autonomously constructs a structured behavior space grid using unsupervised learning, eliminating the need for prior task-specific knowledge. At the core of VQ-Elites is the integration of Vector Quantized Variational Autoencoders, which enables the dynamic learning of behavior descriptors and the generation of a structured, rather than unstructured, behavior space grid -- a significant advancement over existing unsupervised Quality-Diversity approaches. This design establishes VQ-Elites as a flexible, robust, and task-agnostic optimization framework. To further enhance the performance of unsupervised Quality-Diversity algorithms, we introduce behavior space bounding and cooperation mechanisms, which significantly improve convergence and performance, as well as the Effective Diversity Ratio and Coverage Diversity Score, two novel metrics that quantify the actual diversity in the unsupervised setting. We validate VQ-Elites on robotic arm pose-reaching, mobile robot space-covering, and MiniGrid exploration tasks. The results demonstrate its ability to efficiently generate diverse, high-quality solutions, emphasizing its adaptability, scalability, robustness to hyperparameters, and potential to extend Quality-Diversity optimization to complex, previously inaccessible domains.
Authors: Christoph Metzl, Kianusch Vahid Yousefnia, Richard M\"uller, Virginia Poli, Miria Celano, Tobias B\"olle
Abstract: The focus of nowcasting development is transitioning from physically motivated advection methods to purely data-driven Machine Learning (ML) approaches. Nevertheless, recent work indicates that incorporating advection into the ML value chain has improved skill for radar-based precipitation nowcasts. However, the generality of this approach and the underlying causes remain unexplored. This study investigates the generality by probing the approach on satellite-based thunderstorm nowcasts for the first time. Resorting to a scale argument, we then put forth an explanation when and why skill improvements can be expected. In essence, advection guarantees that thunderstorm patterns relevant for nowcasting are contained in the receptive field at long forecast times. To test our hypotheses, we train ResU-Nets solving segmentation tasks with lightning observations as ground truth. The input of the Baseline Neural Network (BNN) are short time series of multispectral satellite imagery and lightning observations, whereas the Advection-Informed Neural Network (AINN) additionally receives the Lagrangian persistence nowcast of all input channels at the desired forecast time. Overall, we find only a minor skill improvement of the AINN over the BNN when considering fully averaged scores. However, assessing skill conditioned on forecast time and advection speed, we demonstrate that our scale argument correctly predicts the onset of skill improvement of the AINN over the BNN after 2h forecast time. We confirm that, generally, advection becomes gradually more important with longer forecast times and higher advection speeds. Our work accentuates the importance of considering and incorporating the underlying physical scales when designing ML-based forecasting models.
Authors: Ning Li, Jingran Zhang, Justin Cui
Abstract: Large language models (LLMs) demonstrate strong capabilities in reasoning and question answering, yet their tendency to generate factually incorrect content remains a critical challenge. This study evaluates proprietary and open-source LLMs on generating relevant research papers with accurate arXiv links. Our evaluation reveals critical academic risks: LLMs frequently generate incorrect arXiv links or references to non-existent papers, fundamentally undermining their ability to properly attribute research contributions to the actual authors. We introduce arXivBench, a benchmark specifically designed to assess LLM performance across eight major subject categories on arXiv and five subfields within computer science, one of the most popular categories among them. Our findings show concerning accuracy variations across subjects, with Claude-3.5-Sonnet exhibiting a substantial advantage in generating both relevant and accurate responses. Notably, most LLMs perform significantly better in Artificial Intelligence than other subfields. This benchmark provides a standardized tool for evaluating LLM reliability in scientific contexts, promoting more dependable academic use in research environments. Our code and dataset are available at https://github.com/liningresearch/arXivBench and https://huggingface.co/datasets/arXivBenchLLM/arXivBench.
URLs: https://github.com/liningresearch/arXivBench, https://huggingface.co/datasets/arXivBenchLLM/arXivBench.
Authors: Anirudhan Badrinath, Prabhat Agarwal, Laksh Bhasin, Jaewon Yang, Jiajing Xu, Charles Rosenberg
Abstract: Generative retrieval methods utilize generative sequential modeling techniques, such as transformers, to generate candidate items for recommender systems. These methods have demonstrated promising results in academic benchmarks, surpassing traditional retrieval models like two-tower architectures. However, current generative retrieval methods lack the scalability required for industrial recommender systems, and they are insufficiently flexible to satisfy the multiple metric requirements of modern systems. This paper introduces PinRec, a novel generative retrieval model developed for applications at Pinterest. PinRec utilizes outcome-conditioned generation, enabling modelers to specify how to balance various outcome metrics, such as the number of saves and clicks, to effectively align with business goals and user exploration. Additionally, PinRec incorporates multi-token generation to enhance output diversity while optimizing generation. Our experiments demonstrate that PinRec can successfully balance performance, diversity, and efficiency, delivering a significant positive impact to users using generative models. This paper marks a significant milestone in generative retrieval, as it presents, to our knowledge, the first rigorous study on implementing generative retrieval at the scale of Pinterest.
Authors: Chenghao Qian, Wenjing Li, Yuhu Guo, Gustav Markkula
Abstract: In this work, we present WeatherEdit, a novel weather editing pipeline for generating realistic weather effects with controllable types and severity in 3D scenes. Our approach is structured into two key components: weather background editing and weather particle construction. For weather background editing, we introduce an all-in-one adapter that integrates multiple weather styles into a single pretrained diffusion model, enabling the generation of diverse weather effects in 2D image backgrounds. During inference, we design a Temporal-View (TV-) attention mechanism that follows a specific order to aggregate temporal and spatial information, ensuring consistent editing across multi-frame and multi-view images. To construct the weather particles, we first reconstruct a 3D scene using the edited images and then introduce a dynamic 4D Gaussian field to generate snowflakes, raindrops and fog in the scene. The attributes and dynamics of these particles are precisely controlled through physical-based modelling and simulation, ensuring realistic weather representation and flexible severity adjustments. Finally, we integrate the 4D Gaussian field with the 3D scene to render consistent and highly realistic weather effects. Experiments on multiple driving datasets demonstrate that WeatherEdit can generate diverse weather effects with controllable condition severity, highlighting its potential for autonomous driving simulation in adverse weather. See project page: https://jumponthemoon.github.io/w-edit
Authors: Ajsal Shereef Palattuparambil, Thommen George Karimpanal, Santu Rana
Abstract: Humans excel at analogical reasoning - applying knowledge from one task to a related one with minimal relearning. In contrast, reinforcement learning (RL) agents typically require extensive retraining even when new tasks share structural similarities with previously learned ones. In this work, we propose MAGIK, a novel framework that enables RL agents to transfer knowledge to analogous tasks without interacting with the target environment. Our approach leverages an imagination mechanism to map entities in the target task to their analogues in the source domain, allowing the agent to reuse its original policy. Experiments on custom MiniGrid and MuJoCo tasks show that MAGIK achieves effective zero-shot transfer using only a small number of human-labelled examples. We compare our approach to related baselines and highlight how it offers a novel and effective mechanism for knowledge transfer via imagination-based analogy mapping.
Authors: Payel Bhattacharjee, Fengwei Tian, Geoffrey D. Rubin, Joseph Y. Lo, Nirav Merchant, Heidi Hanson, John Gounley, Ravi Tandon
Abstract: Purpose: This study proposes a framework for fine-tuning large language models (LLMs) with differential privacy (DP) to perform multi-abnormality classification on radiology report text. By injecting calibrated noise during fine-tuning, the framework seeks to mitigate the privacy risks associated with sensitive patient data and protect against data leakage while maintaining classification performance. Materials and Methods: We used 50,232 radiology reports from the publicly available MIMIC-CXR chest radiography and CT-RATE computed tomography datasets, collected between 2011 and 2019. Fine-tuning of LLMs was conducted to classify 14 labels from MIMIC-CXR dataset, and 18 labels from CT-RATE dataset using Differentially Private Low-Rank Adaptation (DP-LoRA) in high and moderate privacy regimes (across a range of privacy budgets = {0.01, 0.1, 1.0, 10.0}). Model performance was evaluated using weighted F1 score across three model architectures: BERT-medium, BERT-small, and ALBERT-base. Statistical analyses compared model performance across different privacy levels to quantify the privacy-utility trade-off. Results: We observe a clear privacy-utility trade-off through our experiments on 2 different datasets and 3 different models. Under moderate privacy guarantees the DP fine-tuned models achieved comparable weighted F1 scores of 0.88 on MIMIC-CXR and 0.59 on CT-RATE, compared to non-private LoRA baselines of 0.90 and 0.78, respectively. Conclusion: Differentially private fine-tuning using LoRA enables effective and privacy-preserving multi-abnormality classification from radiology reports, addressing a key challenge in fine-tuning LLMs on sensitive medical data.
Authors: Haley Stone, Jing Du, Hao Xue, Matthew Scotch, David Heslop, Andreas Z\"ufle, Chandini Raina MacIntyre, Flora Salim
Abstract: Pathogen genome data offers valuable structure for spatial models, but its utility is limited by incomplete sequencing coverage. We propose a probabilistic framework for inferring genetic distances between unsequenced cases and known sequences within defined transmission chains, using time-aware evolutionary distance modeling. The method estimates pairwise divergence from collection dates and observed genetic distances, enabling biologically plausible imputation grounded in observed divergence patterns, without requiring sequence alignment or known transmission chains. Applied to highly pathogenic avian influenza A/H5 cases in wild birds in the United States, this approach supports scalable, uncertainty-aware augmentation of genomic datasets and enhances the integration of evolutionary information into spatiotemporal modeling workflows.
Authors: Zhecheng Liu (University of California, Los Angeles), Jeff D. Eldredge (University of California, Los Angeles)
Abstract: A linear flow control strategy designed for weak disturbances may not remain effective in sequences of strong disturbances due to nonlinear interactions, but it is sensible to leverage it for developing a better strategy. In the present study, we propose a transformer-based reinforcement learning (RL) framework to learn an effective control strategy for regulating aerodynamic lift in arbitrarily long gust sequences via pitch control. The random gusts produce intermittent, high-variance flows observed only through limited surface pressure sensors, making this control problem inherently challenging compared to stationary flows. The transformer addresses the challenge of partial observability from the limited surface pressures. We demonstrate that the training can be accelerated with two techniques -- pretraining with an expert policy (here, linear control) and task-level transfer learning (here, extending a policy trained on isolated gusts to multiple gusts). We show that the learned strategy outperforms the best proportional control, with the performance gap widening as the number of gusts increases. The control strategy learned in an environment with a small number of successive gusts is shown to effectively generalize to an environment with an arbitrarily long sequence of gusts. We investigate the pivot configuration and show that quarter-chord pitching control can achieve superior lift regulation with substantially less control effort compared to mid-chord pitching control. Through a decomposition of the lift, we attribute this advantage to the dominant added-mass contribution accessible via quarter-chord pitching.
Authors: Byeongchan Lee, John Won, Seunghyun Lee, Jinwoo Shin
Abstract: Anomaly detection is a complex problem due to the ambiguity in defining anomalies, the diversity of anomaly types (e.g., local and global defect), and the scarcity of training data. As such, it necessitates a comprehensive model capable of capturing both low-level and high-level features, even with limited data. To address this, we propose CLIPFUSION, a method that leverages both discriminative and generative foundation models. Specifically, the CLIP-based discriminative model excels at capturing global features, while the diffusion-based generative model effectively captures local details, creating a synergistic and complementary approach. Notably, we introduce a methodology for utilizing cross-attention maps and feature maps extracted from diffusion models specifically for anomaly detection. Experimental results on benchmark datasets (MVTec-AD, VisA) demonstrate that CLIPFUSION consistently outperforms baseline methods, achieving outstanding performance in both anomaly segmentation and classification. We believe that our method underscores the effectiveness of multi-modal and multi-model fusion in tackling the multifaceted challenges of anomaly detection, providing a scalable solution for real-world applications.
Authors: Kyanna Dagenais, Istvan David
Abstract: Model-driven engineering problems often require complex model transformations (MTs), i.e., MTs that are chained in extensive sequences. Pertinent examples of such problems include model synchronization, automated model repair, and design space exploration. Manually developing complex MTs is an error-prone and often infeasible process. Reinforcement learning (RL) is an apt way to alleviate these issues. In RL, an autonomous agent explores the state space through trial and error to identify beneficial sequences of actions, such as MTs. However, RL methods exhibit performance issues in complex problems. In these situations, human guidance can be of high utility. In this paper, we present an approach and technical framework for developing complex MT sequences through RL, guided by potentially uncertain human advice. Our framework allows user-defined MTs to be mapped onto RL primitives, and executes them as RL programs to find optimal MT sequences. Our evaluation shows that human guidance, even if uncertain, substantially improves RL performance, and results in more efficient development of complex MTs. Through a trade-off between the certainty and timeliness of human advice, our method takes a step towards RL-driven human-in-the-loop engineering methods.
Authors: Suqing Liu, Xuan Bi, Tianxi Li
Abstract: Differential privacy is a well-established framework for safeguarding sensitive information in data. While extensively applied across various domains, its application to network data -- particularly at the node level -- remains underexplored. Existing methods for node-level privacy either focus exclusively on query-based approaches, which restrict output to pre-specified network statistics, or fail to preserve key structural properties of the network. In this work, we propose GRAND (Graph Release with Assured Node Differential privacy), which is, to the best of our knowledge, the first network release mechanism that releases entire networks while ensuring node-level differential privacy and preserving structural properties. Under a broad class of latent space models, we show that the released network asymptotically follows the same distribution as the original network. The effectiveness of the approach is evaluated through extensive experiments on both synthetic and real-world datasets.
Authors: Laura Pitukov\'a, Peter Sin\v{c}\'ak, L\'aszl\'o J\'ozsef Kov\'acs, Peng Wang
Abstract: This study conducts a comprehensive comparison of four neural network architectures: Convolutional Neural Network, Capsule Network, Convolutional Kolmogorov-Arnold Network, and the newly proposed Capsule-Convolutional Kolmogorov-Arnold Network. The proposed Capsule-ConvKAN architecture combines the dynamic routing and spatial hierarchy capabilities of Capsule Network with the flexible and interpretable function approximation of Convolutional Kolmogorov-Arnold Networks. This novel hybrid model was developed to improve feature representation and classification accuracy, particularly in challenging real-world biomedical image data. The architectures were evaluated on a histopathological image dataset, where Capsule-ConvKAN achieved the highest classification performance with an accuracy of 91.21%. The results demonstrate the potential of the newly introduced Capsule-ConvKAN in capturing spatial patterns, managing complex features, and addressing the limitations of traditional convolutional models in medical image classification.
Authors: Xiaoxiang Shi, Colin Cai, Junjia Du, Zhihao Jia
Abstract: Monolithic serving with chunked prefill improves GPU utilization by batching prefill and decode together, but suffers from fine-grained phase interference. Engine-level prefill-decode (PD) disaggregation avoids interference but incurs higher hardware and coordination overhead. Prior intra-GPU disaggregation approaches multiplex prefill and decode within a single GPU, using SLO-based tuning guided by heuristics from offline profiling or reactive feedback loops. However, these methods respond reactively to performance issues rather than anticipating them, limiting adaptability under dynamic workloads. We ask: can we achieve proactive intra-GPU disaggregation that adapts effectively to dynamic workloads? The key challenge lies in managing the conflicting resource demands of prefill and decode under varying conditions. We first show that GPU resources exhibit diminishing returns -- beyond a saturation point, more allocation yields minimal latency benefit. Second, we observe that memory bandwidth contention becomes a critical bottleneck. These insights motivate a design that dynamically partitions GPU resources across prefill and decode phases, while jointly considering compute capacity, memory footprint, and bandwidth contention. Evaluated on diverse LLMs and workloads, our system Nexus achieves up to 2.2x higher throughput, 20x lower TTFT, and 2.5x lower TBT than vLLM; outperforms SGLang by up to 2x; and matches or exceeds disaggregated vLLM.
Authors: Hongyu Nie, Xu Liu, Zhaotong Tan, Sen Mei, Wenbo Su
Abstract: Autonomous navigation in mobile robots, reliant on perception and planning, faces major hurdles in large-scale, complex environments. These include heavy computational burdens for mapping, sensor occlusion failures for UAVs, and traversal challenges on irregular terrain for UGVs, all compounded by a lack of perception-aware strategies. To address these challenges, we introduce Random Mapping and Random Projection (RMRP). This method constructs a lightweight linear parametric map by first mapping data to a high-dimensional space, followed by a sparse random projection for dimensionality reduction. Our novel Residual Energy Preservation Theorem provides theoretical guarantees for this process, ensuring critical geometric properties are preserved. Based on this map, we propose the RPATR (Robust Perception-Aware Trajectory Planner) framework. For UAVs, our method unifies grid and Euclidean Signed Distance Field (ESDF) maps. The front-end uses an analytical occupancy gradient to refine initial paths for safety and smoothness, while the back-end uses a closed-form ESDF for trajectory optimization. Leveraging the trained RMRP model's generalization, the planner predicts unobserved areas for proactive navigation. For UGVs, the model characterizes terrain and provides closed-form gradients, enabling online planning to circumvent large holes. Validated in diverse scenarios, our framework demonstrates superior mapping performance in time, memory, and accuracy, and enables computationally efficient, safe navigation for high-speed UAVs and UGVs. The code will be released to foster community collaboration.
Authors: Hammad Atta, Ken Huang, Manish Bhatt, Kamal Ahmed, Muhammad Aziz Ul Haq, Yasir Mehmood
Abstract: The integration of large language models (LLMs) into enterprise systems has introduced a new class of covert security vulnerabilities, particularly within logic execution layers and persistent memory contexts. This paper introduces Logic-layer Prompt Control Injection (LPCI), a novel category of attacks that embeds encoded, delayed, and conditionally triggered payloads within memory, vector stores, or tool outputs. These payloads can bypass conventional input filters and trigger unauthorised behaviour across sessions.
Authors: Khoa Nguyen, Tanveer Khan, Hossein Abdinasibfar, Antonis Michalas
Abstract: Federated Learning (FL) enables collaborative model training without sharing raw data, making it a promising approach for privacy-sensitive domains. Despite its potential, FL faces significant challenges, particularly in terms of communication overhead and data privacy. Privacy-preserving Techniques (PPTs) such as Homomorphic Encryption (HE) have been used to mitigate these concerns. However, these techniques introduce substantial computational and communication costs, limiting their practical deployment. In this work, we explore how Hybrid Homomorphic Encryption (HHE), a cryptographic protocol that combines symmetric encryption with HE, can be effectively integrated with FL to address both communication and privacy challenges, paving the way for scalable and secure decentralized learning system.
Authors: Robert Kuchen
Abstract: Statistical learning methods for automated variable selection, such as LASSO, elastic nets, or gradient boosting, have become increasingly popular tools for building powerful prediction models. Yet, in practice, analyses are often complicated by missing data. The most widely used approach to address missingness is multiple imputation, which involves creating several completed datasets. However, there is an ongoing debate on how to perform model selection in the presence of multiple imputed datasets. Simple strategies, such as pooling models across datasets, have been shown to have suboptimal properties. Although more sophisticated methods exist, they are often difficult to implement and therefore not widely applied. In contrast, two recent approaches modify the regularization methods LASSO and elastic nets by defining a single loss function, resulting in a unified set of coefficients across imputations. Our key contribution is to extend this principle to the framework of component-wise gradient boosting by proposing MIBoost, a novel algorithm that employs a uniform variable-selection mechanism across imputed datasets. Simulation studies suggest that our approach yields prediction performance comparable to that of these recently proposed methods.
Authors: Stefanos Gkikas, Ioannis Kyprakis, Manolis Tsiknakis
Abstract: Pain is a complex condition affecting a large portion of the population. Accurate and consistent evaluation is essential for individuals experiencing pain, and it supports the development of effective and advanced management strategies. Automatic pain assessment systems provide continuous monitoring and support clinical decision-making, aiming to reduce distress and prevent functional decline. This study has been submitted to the \textit{Second Multimodal Sensing Grand Challenge for Next-Gen Pain Assessment (AI4PAIN)}. The proposed method introduces a pipeline that leverages respiration as the input signal and incorporates a highly efficient cross-attention transformer alongside a multi-windowing strategy. Extensive experiments demonstrate that respiration is a valuable physiological modality for pain assessment. Moreover, experiments revealed that compact and efficient models, when properly optimized, can achieve strong performance, often surpassing larger counterparts. The proposed multi-window approach effectively captures both short-term and long-term features, as well as global characteristics, thereby enhancing the model's representational capacity.
Authors: Basna Mohammed Salih Hasan, Ramadhan J. Mstafa
Abstract: Gender classification has emerged as a crucial aspect in various fields, including security, human-machine interaction, surveillance, and advertising. Nonetheless, the accuracy of this classification can be influenced by factors such as cosmetics and disguise. Consequently, our study is dedicated to addressing this concern by concentrating on gender classification using color images of the periocular region. The periocular region refers to the area surrounding the eye, including the eyelids, eyebrows, and the region between them. It contains valuable visual cues that can be used to extract key features for gender classification. This paper introduces a sophisticated Convolutional Neural Network (CNN) model that utilizes color image databases to evaluate the effectiveness of the periocular region for gender classification. To validate the model's performance, we conducted tests on two eye datasets, namely CVBL and (Female and Male). The recommended architecture achieved an outstanding accuracy of 99% on the previously unused CVBL dataset while attaining a commendable accuracy of 96% with a small number of learnable parameters (7,235,089) on the (Female and Male) dataset. To ascertain the effectiveness of our proposed model for gender classification using the periocular region, we evaluated its performance through an extensive range of metrics and compared it with other state-of-the-art approaches. The results unequivocally demonstrate the efficacy of our model, thereby suggesting its potential for practical application in domains such as security and surveillance.
Authors: Hwanwoo Kim, Simon Mak, Ann-Kathrin Schuetz, Alan Poon
Abstract: With advances in scientific computing, computer experiments are increasingly used for optimizing complex systems. However, for modern applications, e.g., the optimization of nuclear physics detectors, each experiment run can require hundreds of CPU hours, making the optimization of its black-box simulator over a high-dimensional space a challenging task. Given limited runs at inputs $\mathbf{x}_1, \cdots, \mathbf{x}_n$, the best solution from these evaluated inputs can be far from optimal, particularly as dimensionality increases. Existing black-box methods, however, largely employ this ''pick-the-winner'' (PW) solution, which leads to mediocre optimization performance. To address this, we propose a new Black-box Optimization via Marginal Means (BOMM) approach. The key idea is a new estimator of a global optimizer $\mathbf{x}^*$ that leverages the so-called marginal mean functions, which can be efficiently inferred with limited runs in high dimensions. Unlike PW, this estimator can select solutions beyond evaluated inputs for improved optimization performance. Assuming the objective function follows a generalized additive model with unknown link function and under mild conditions, we prove that the BOMM estimator not only is consistent for optimization, but also has an optimization rate that tempers the ''curse-of-dimensionality'' faced by existing methods, thus enabling better performance as dimensionality increases. We present a practical framework for implementing BOMM using the transformed additive Gaussian process surrogate model. Finally, we demonstrate the effectiveness of BOMM in numerical experiments and an application on neutrino detector optimization in nuclear physics.
Authors: Gustaf Ahdritz, Anat Kleiman
Abstract: The internet is rife with unattributed, deliberately misleading, or otherwise untrustworthy content. Though large language models (LLMs) are often tasked with autonomous web browsing, the extent to which they have learned the simple heuristics human researchers use to navigate this noisy environment is not currently known. In this paper, we introduce the Synthetic Media Literacy Test (SMeL Test), a minimal benchmark that tests the ability of language models to actively filter out untrustworthy information in context. We benchmark a variety of commonly used instruction-tuned LLMs, including reasoning models, and find that no model consistently succeeds; while reasoning in particular is associated with higher scores, even the best API model we test hallucinates up to 70% of the time. Remarkably, larger and more capable models do not necessarily outperform their smaller counterparts. We hope our work sheds more light on this important form of hallucination and guides the development of new methods to combat it.
Authors: Yang Li, Zhi Chen
Abstract: Generative modeling of high-frequency limit order book (LOB) dynamics is a critical yet unsolved challenge in quantitative finance, essential for robust market simulation and strategy backtesting. Existing approaches are often constrained by simplifying stochastic assumptions or, in the case of modern deep learning models like Transformers, rely on tokenization schemes that affect the high-precision, numerical nature of financial data through discretization and binning. To address these limitations, we introduce ByteGen, a novel generative model that operates directly on the raw byte streams of LOB events. Our approach treats the problem as an autoregressive next-byte prediction task, for which we design a compact and efficient 32-byte packed binary format to represent market messages without information loss. The core novelty of our work is the complete elimination of feature engineering and tokenization, enabling the model to learn market dynamics from its most fundamental representation. We achieve this by adapting the H-Net architecture, a hybrid Mamba-Transformer model that uses a dynamic chunking mechanism to discover the inherent structure of market messages without predefined rules. Our primary contributions are: 1) the first end-to-end, byte-level framework for LOB modeling; 2) an efficient packed data representation; and 3) a comprehensive evaluation on high-frequency data. Trained on over 34 million events from CME Bitcoin futures, ByteGen successfully reproduces key stylized facts of financial markets, generating realistic price distributions, heavy-tailed returns, and bursty event timing. Our findings demonstrate that learning directly from byte space is a promising and highly flexible paradigm for modeling complex financial systems, achieving competitive performance on standard market quality metrics without the biases of tokenization.
Authors: Lei Zan, Keli Zhang, Ruichu Cai, Lujia Pan
Abstract: Large Language Models (LLMs) have demonstrated strong performance across a wide range of tasks, yet they still struggle with complex mathematical reasoning, a challenge fundamentally rooted in deep structural dependencies. To address this challenge, we propose \textbf{CA}usal \textbf{MA}thematician (\textbf{CAMA}), a two-stage causal framework that equips LLMs with explicit, reusable mathematical structure. In the learning stage, CAMA first constructs the \textbf{M}athematical \textbf{C}ausal \textbf{G}raph (\textbf{MCG}), a high-level representation of solution strategies, by combining LLM priors with causal discovery algorithms applied to a corpus of question-solution pairs. The resulting MCG encodes essential knowledge points and their causal dependencies. To better align the graph with downstream reasoning tasks, CAMA further refines the MCG through iterative feedback derived from a selected subset of the question-solution pairs. In the reasoning stage, given a new question, CAMA dynamically extracts a task-relevant subgraph from the MCG, conditioned on both the question content and the LLM's intermediate reasoning trace. This subgraph, which encodes the most pertinent knowledge points and their causal dependencies, is then injected back into the LLM to guide its reasoning process. Empirical results on real-world datasets show that CAMA significantly improves LLM performance on challenging mathematical problems. Furthermore, our experiments demonstrate that structured guidance consistently outperforms unstructured alternatives, and that incorporating asymmetric causal relationships yields greater improvements than using symmetric associations alone.
Authors: Dai Li, Kevin Course, Wei Li, Hongwei Li, Jie Hua, Yiqi Chen, Zhao Zhu, Rui Jian, Xuan Cao, Bi Xue, Yu Shi, Jing Qian, Kai Ren, Matt Ma, Qunshu Zhang, Rui Li
Abstract: While scaling laws promise significant performance gains for recommender systems, efficiently deploying hyperscale models remains a major unsolved challenge. In contrast to fields where FMs are already widely adopted such as natural language processing and computer vision, progress in recommender systems is hindered by unique challenges including the need to learn from online streaming data under shifting data distributions, the need to adapt to different recommendation surfaces with a wide diversity in their downstream tasks and their input distributions, and stringent latency and computational constraints. To bridge this gap, we propose to leverage the Foundation-Expert Paradigm: a framework designed for the development and deployment of hyperscale recommendation FMs. In our approach, a central FM is trained on lifelong, cross-surface, multi-modal user data to learn generalizable knowledge. This knowledge is then efficiently transferred to various lightweight, surface-specific "expert" models via target-aware embeddings, allowing them to adapt to local data distributions and optimization goals with minimal overhead. To meet our training, inference and development needs, we built HyperCast, a production-grade infrastructure system that re-engineers training, serving, logging and iteration to power this decoupled paradigm. Our approach is now deployed at Meta serving tens of billions of user requests daily, demonstrating online metric improvements over our previous one-stage production system while improving developer velocity and maintaining infrastructure efficiency. To the best of our knowledge, this work represents the first successful deployment of a Foundation-Expert paradigm at this scale, offering a proven, compute-efficient, and developer-friendly blueprint to realize the promise of scaling laws in recommender systems.
Authors: Chia-Tung Ho, Jing Gong, Xufeng Yao, Yunsheng Bai, Abhishek B Akkur, Haoxing Ren
Abstract: Large language models (LLMs) excel at solving complex tasks by executing agentic workflows composed of detailed instructions and structured operations. Yet, building general-purpose agents by manually embedding foundation models into agentic systems such as Chain-of-Thought, Self-Reflection, and ReACT through text interfaces limits scalability and efficiency. Recently, many researchers have sought to automate the generation and optimization of these workflows through code-based representations. However, existing methods often rely on labeled datasets to train and optimize workflows, making them ineffective and inflexible for solving real-world, dynamic problems where labeled data is unavailable. To address this challenge, we introduce Polymath, a self-optimizing agent with dynamic hierarchical workflow that leverages the flexibility of task flow graphs and the expressiveness of code-represented workflows to solve a wide range of real-world, dynamic problems. The proposed optimization methodology integrates multi-grid-inspired graph optimization with a self-reflection-guided evolutionary algorithm to refine workflows without labeled data. Experimental results on six benchmark datasets across coding, math, and multi-turn QA tasks show that Polymath achieves 8.1% average improvement over state-of-the-art baselines.
Authors: Nicola Casali, Alessandro Brusaferri, Giuseppe Baselli, Stefano Fumagalli, Edoardo Micotti, Gianluigi Forloni, Riaz Hussein, Giovanna Rizzo, Alfonso Mastropietro
Abstract: Accurate estimation of intravoxel incoherent motion (IVIM) parameters from diffusion-weighted MRI remains challenging due to the ill-posed nature of the inverse problem and high sensitivity to noise, particularly in the perfusion compartment. In this work, we propose a probabilistic deep learning framework based on Deep Ensembles (DE) of Mixture Density Networks (MDNs), enabling estimation of total predictive uncertainty and decomposition into aleatoric (AU) and epistemic (EU) components. The method was benchmarked against non probabilistic neural networks, a Bayesian fitting approach and a probabilistic network with single Gaussian parametrization. Supervised training was performed on synthetic data, and evaluation was conducted on both simulated and an in vivo dataset. The reliability of the quantified uncertainties was assessed using calibration curves, output distribution sharpness, and the Continuous Ranked Probability Score (CRPS). MDNs produced more calibrated and sharper predictive distributions for the diffusion coefficient D and fraction f parameters, although slight overconfidence was observed in pseudo-diffusion coefficient D*. The Robust Coefficient of Variation (RCV) indicated smoother in vivo estimates for D* with MDNs compared to Gaussian model. Despite the training data covering the expected physiological range, elevated EU in vivo suggests a mismatch with real acquisition conditions, highlighting the importance of incorporating EU, which was allowed by DE. Overall, we present a comprehensive framework for IVIM fitting with uncertainty quantification, which enables the identification and interpretation of unreliable estimates. The proposed approach can also be adopted for fitting other physical models through appropriate architectural and simulation adjustments.