Authors: Yuguang Liu, Yiyun Miao, Luyao Xia
Abstract: Multi-task learning (MTL) has emerged as a successful strategy in industrial-scale recommender systems, offering significant advantages such as capturing diverse users' interests and accurately detecting different behaviors like ``click" or ``dwell time". However, negative transfer and the seesaw phenomenon pose challenges to MTL models due to the complex and often contradictory task correlations in real-world recommendations. To address the problem while making better use of personalized information, we propose a personalized Direct Routing Gradient framework (DRGrad), which consists of three key components: router, updater and personalized gate network. DRGrad judges the stakes between tasks in the training process, which can leverage all valid gradients for the respective task to reduce conflicts. We evaluate the efficiency of DRGrad on complex MTL using a real-world recommendation dataset with 15 billion samples. The results show that DRGrad's superior performance over competing state-of-the-art MTL models, especially in terms of AUC (Area Under the Curve) metrics, indicating that it effectively manages task conflicts in multi-task learning environments without increasing model complexity, while also addressing the deficiencies in noise processing. Moreover, experiments on the public Census-income dataset and Synthetic dataset, have demonstrated the capability of DRGrad in judging and routing the stakes between tasks with varying degrees of correlation and personalization.
Authors: Shaharyar Alam Ansari, Mohammad Luqman, Aasim Zafar, Savir Ali
Abstract: Rapid urbanization has intensified traffic congestion, environmental strain, and inefficiencies in transportation systems, creating an urgent need for intelligent and adaptive traffic management solutions. Conventional systems relying on static signals and manual monitoring are inadequate for the dynamic nature of modern traffic. This research aims to develop a unified framework that integrates CCTV surveillance videos with multi-source data descriptors to enhance real-time urban traffic prediction. The proposed methodology incorporates spatio-temporal feature fusion, Frequent Episode Mining for sequential traffic pattern discovery, and a hybrid LSTM-Transformer model for robust traffic state forecasting. The framework was evaluated on the CityFlowV2 dataset comprising 313,931 annotated bounding boxes across 46 cameras. It achieved a high prediction accuracy of 98.46 percent, with a macro precision of 0.9800, macro recall of 0.9839, and macro F1-score of 0.9819. FEM analysis revealed significant sequential patterns such as moderate-congested transitions with confidence levels exceeding 55 percent. The 46 sustained congestion alerts are system-generated, which shows practical value for proactive congestion management. This emphasizes the need for the incorporation of video stream analytics with data from multiple sources for the design of real-time, responsive, adaptable multi-level intelligent transportation systems, which makes urban mobility smarter and safer.
Authors: Riccardo Fosco Gramaccioni, Christian Marinoni, Fabrizio Frezza, Aurelio Uncini, Danilo Comminiello
Abstract: Accurate simulation of wave propagation in complex acoustic materials is crucial for applications in sound design, noise control, and material engineering. Traditional numerical solvers, such as finite element methods, are computationally expensive, especially when dealing with large-scale or real-time scenarios. In this work, we introduce a dataset of 31,000 acoustic materials, named HA30K, designed and simulated solving the Helmholtz equations. For each material, we provide the geometric configuration and the corresponding pressure field solution, enabling data-driven approaches to learn Helmholtz equation solutions. As a baseline, we explore a deep learning approach based on Stable Diffusion with ControlNet, a state-of-the-art model for image generation. Unlike classical solvers, our approach leverages GPU parallelization to process multiple simulations simultaneously, drastically reducing computation time. By representing solutions as images, we bypass the need for complex simulation software and explicit equation-solving. Additionally, the number of diffusion steps can be adjusted at inference time, balancing speed and quality. We aim to demonstrate that deep learning-based methods are particularly useful in early-stage research, where rapid exploration is more critical than absolute accuracy.
Authors: Filippo Rinaldi, Aniello Panariello, Giacomo Salici, Fengyuan Liu, Marco Ciccone, Angelo Porrello, Simone Calderara
Abstract: When a new release of a foundation model is published, practitioners typically need to repeat full fine-tuning, even if the same task has already been solved in the previous version. A promising alternative is to reuse the parameter changes (i.e., task vectors) that capture how a model adapts to a specific task. However, they often fail to transfer across different pre-trained models due to their misaligned parameter space. In this work, we show that the key to successful transfer lies in the sign structure of the gradients of the new model. Based on this insight, we propose GradFix, a novel method that approximates the ideal gradient sign structure and leverages it to transfer knowledge using only a handful of labeled samples. Notably, this requires no additional fine-tuning: the adaptation is achieved by computing a few gradients at the target model and masking the source task vector accordingly. This yields an update that is locally aligned with the target loss landscape, effectively rebasing the task vector onto the new pre-training. We provide a theoretical guarantee that our method ensures first-order descent. Empirically, we demonstrate significant performance gains on vision and language benchmarks, consistently outperforming naive task vector addition and few-shot fine-tuning.
Authors: Edgar E. Robles, Dikshant Sagar, Alejandro Yankelevich, Jianming Bian, Pierre Baldi, NOvA Collaboration
Abstract: NOvA is a long-baseline neutrino oscillation experiment that detects neutrino particles from the NuMI beam at Fermilab. Before data from this experiment can be used in analyses, raw hits in the detector must be matched to their source particles, and the type of each particle must be identified. This task has commonly been done using a mix of traditional clustering approaches and convolutional neural networks (CNNs). Due to the construction of the detector, the data is presented as two sparse 2D images: an XZ and a YZ view of the detector, rather than a 3D representation. We propose a point set neural network that operates on the sparse matrices with an operation that mixes information from both views. Our model uses less than 10% of the memory required using previous methods while achieving a 96.8% AUC score, a higher score than obtained when both views are processed independently (85.4%).
Authors: Luca Scimeca, Thomas Jiralerspong, Berton Earnshaw, Jason Hartford, Yoshua Bengio
Abstract: Diffusion Probabilistic Models (DPMs) have achieved strong generative performance, yet their inductive biases remain largely implicit. In this work, we aim to build inductive biases into the training and sampling of diffusion models to better accommodate the target distribution of the data to model. We introduce an anisotropic noise operator that shapes these biases by replacing the isotropic forward covariance with a structured, frequency-diagonal covariance. This operator unifies band-pass masks and power-law weightings, allowing us to emphasize or suppress designated frequency bands, while keeping the forward process Gaussian. We refer to this as spectrally anisotropic Gaussian diffusion (SAGD). In this work, we derive the score relation for anisotropic covariances and show that, under full support, the learned score converges to the true data score as $t\!\to\!0$, while anisotropy reshapes the probability-flow path from noise to data. Empirically, we show the induced anisotropy outperforms standard diffusion across several vision datasets, and enables selective omission: learning while ignoring known corruptions confined to specific bands. Together, these results demonstrate that carefully designed anisotropic forward noise provides a simple, yet principled, handle to tailor inductive bias in DPMs.
Authors: Ali Jaberi (Clean Energy Innovation Research Center, National Research Council Canada, Mississauga, Ontario, Canada), Amin Sadeghi (Canmet MATERIALS, Natural Resources Canada, Hamilton, ON, Canada), Runze Zhang (Department of Material Science and Engineering, University of Toronto, Toronto, Ontario, Canada), Zhaoyang Zhao (Department of Material Science and Engineering, University of Toronto, Toronto, Ontario, Canada), Qiuyu Shi (Department of Material Science and Engineering, University of Toronto, Toronto, Ontario, Canada), Robert Black (Clean Energy Innovation Research Center, National Research Council Canada, Mississauga, Ontario, Canada), Zoya Sadighi (Clean Energy Innovation Research Center, National Research Council Canada, Mississauga, Ontario, Canada), Jason Hattrick-Simpers (Department of Material Science and Engineering, University of Toronto, Toronto, Ontario, Canada)
Abstract: Electrochemical impedance spectroscopy (EIS) data is typically modeled using an equivalent circuit model (ECM), with parameters obtained by minimizing a loss function via nonlinear least squares fitting. This paper introduces two new loss functions, log-B and log-BW, derived from the Bode representation of EIS. Using a large dataset of generated EIS data, the performance of proposed loss functions was evaluated alongside existing ones in terms of R2 scores, chi-squared, computational efficiency, and the mean absolute percentage error (MAPE) between the predicted component values and the original values. Statistical comparisons revealed that the choice of loss function impacts convergence, computational efficiency, quality of fit, and MAPE. Our analysis showed that X2 loss function (squared sum of residuals with proportional weighting) achieved the highest performance across multiple quality of fit metrics, making it the preferred choice when the quality of fit is the primary goal. On the other hand, log-B offered a slightly lower quality of fit while being approximately 1.4 times faster and producing lower MAPE for most circuit components, making log-B as a strong alternative. This is a critical factor for large-scale least squares fitting in data-driven applications, such as training machine learning models on extensive datasets or iterations.
Authors: Changchang Sun, Vickie Chen, Yan Yan
Abstract: Recently, deep supervised cross-modal hashing methods have achieve compelling success by learning semantic information in a self-supervised way. However, they still suffer from the key limitation that the multi-label semantic extraction process fail to explicitly interact with raw multimodal data, making the learned representation-level semantic information not compatible with the heterogeneous multimodal data and hindering the performance of bridging modality gap. To address this limitation, in this paper, we propose a novel semantic cohesive knowledge distillation scheme for deep cross-modal hashing, dubbed as SODA. Specifically, the multi-label information is introduced as a new textual modality and reformulated as a set of ground-truth label prompt, depicting the semantics presented in the image like the text modality. Then, a cross-modal teacher network is devised to effectively distill cross-modal semantic characteristics between image and label modalities and thus learn a well-mapped Hamming space for image modality. In a sense, such Hamming space can be regarded as a kind of prior knowledge to guide the learning of cross-modal student network and comprehensively preserve the semantic similarities between image and text modality. Extensive experiments on two benchmark datasets demonstrate the superiority of our model over the state-of-the-art methods.
Authors: Yihua Cheng, Yuhan Liu, Jiayi Yao, Yuwei An, Xiaokun Chen, Shaoting Feng, Yuyang Huang, Samuel Shen, Kuntai Du, Junchen Jiang
Abstract: Today's LLM inference systems treat individual engines and queries independently for simplicity, but this causes significant resource inefficiencies. While there are proposals to avoid redundant computation by reusing KV caches across queries and to increase GPU utilization by disaggregating a single query to different engines, their promises cannot be realized without efficiently offloading and communicating KV cache across LLM inference engines and queries. We present LMCache, the first and so far the most efficient open-source KV caching solution, which extracts and stores KV caches generated by modern LLM engines (vLLM and SGLang) and shares the KV caches across engines and queries. LMCache exposes KV caches in the LLM engine interface, effectively transforming LLM engines from individual token processors to a collection of engines with KV cache as the storage and communication medium. In particular, it supports both cache offloading (prefix reuse across queries) and prefill-decode disaggregation (cross-engine cache transfer). LMCache's high performance and wide adoption stem from the following contributions: highly optimized KV cache data movement with performance optimizations including batched data movement operations, compute and I/O pipelining; a modular KV cache connector component, decoupling LMCache from the rapid evolution of inference engines; a first-class control API, such as pinning, lookup, cleanup, movement, and compression, for flexible cache orchestration across GPU, CPU, storage, and network layers. Evaluation shows that combining LMCache with vLLM achieves up to 15x improvement in throughput across diverse workloads. With a growing community, LMCache has seen dramatic growth in adoption by enterprise inference systems, which provides valuable lessons for future KV caching solutions. The source code of LMCache is at: https://github.com/LMCache/LMCache.
Authors: Aditya Chakravarty
Abstract: Climate change is intensifying wildfire risks globally, making reliable forecasting critical for adaptation strategies. While machine learning shows promise for wildfire prediction from Earth observation data, current approaches lack uncertainty quantification essential for risk-aware decision making. We present the first systematic analysis of spatial uncertainty in wildfire spread forecasting using multimodal Earth observation inputs. We demonstrate that predictive uncertainty exhibits coherent spatial structure concentrated near fire perimeters. Our novel distance metric reveals high-uncertainty regions form consistent 20-60 meter buffer zones around predicted firelines - directly applicable for emergency planning. Feature attribution identifies vegetation health and fire activity as primary uncertainty drivers. This work enables more robust wildfire management systems supporting communities adapting to increasing fire risk under climate change.
Authors: Maryam Abdollahi Shamami, Babak Teimourpour, Farshad Sharifi
Abstract: Drug-drug interactions (DDIs) are a leading cause of preventable adverse events, often complicating treatment and increasing healthcare costs. At the same time, knowing which drugs do not interact is equally important, as such knowledge supports safer prescriptions and better patient outcomes. In this study, we propose an interpretable and efficient framework that blends modern machine learning with domain knowledge to improve DDI prediction. Our approach combines two complementary molecular embeddings - Mol2Vec, which captures fragment-level structural patterns, and SMILES-BERT, which learns contextual chemical features - together with a leakage-free, rule-based clinical score (RBScore) that injects pharmacological knowledge without relying on interaction labels. A lightweight neural classifier is then optimized using a novel three-stage metaheuristic strategy (RSmpl-ACO-PSO), which balances global exploration and local refinement for stable performance. Experiments on real-world datasets demonstrate that the model achieves high predictive accuracy (ROC-AUC 0.911, PR-AUC 0.867 on DrugBank) and generalizes well to a clinically relevant Type 2 Diabetes Mellitus cohort. Beyond raw performance, studies show how embedding fusion, RBScore, and the optimizer each contribute to precision and robustness. Together, these results highlight a practical pathway for building reliable, interpretable, and computationally efficient models that can support safer drug therapies and clinical decision-making.
Authors: Jacopo Lenti, Lorenzo Costantini, Ariadna Fosch, Anna Monticelli, David Scala, Marco Pangallo
Abstract: It is increasingly important to generate synthetic populations with explicit coordinates rather than coarse geographic areas, yet no established methods exist to achieve this. One reason is that latitude and longitude differ from other continuous variables, exhibiting large empty spaces and highly uneven densities. To address this, we propose a population synthesis algorithm that first maps spatial coordinates into a more regular latent space using Normalizing Flows (NF), and then combines them with other features in a Variational Autoencoder (VAE) to generate synthetic populations. This approach also learns the joint distribution between spatial and non-spatial features, exploiting spatial autocorrelations. We demonstrate the method by generating synthetic homes with the same statistical properties of real homes in 121 datasets, corresponding to diverse geographies. We further propose an evaluation framework that measures both spatial accuracy and practical utility, while ensuring privacy preservation. Our results show that the NF+VAE architecture outperforms popular benchmarks, including copula-based methods and uniform allocation within geographic areas. The ability to generate geolocated synthetic populations at fine spatial resolution opens the door to applications requiring detailed geography, from household responses to floods, to epidemic spread, evacuation planning, and transport modeling.
Authors: Xinlun Cheng, Bingzhe Chen, Joseph Choi, Yen T. Nguyen, Pradeep Seshadri, Mayank Verma, H. S. Udaykumar, Stephen Baek
Abstract: Modeling shock-to-detonation phenomena in energetic materials (EMs) requires capturing complex physical processes such as strong shocks, rapid changes in microstructural morphology, and nonlinear dynamics of chemical reaction fronts. These processes participate in energy localization at hotspots, which initiate chemical energy release leading to detonation. This study addresses the formation of hotspots in crystalline EMs subjected to weak-to-moderate shock loading, which, despite its critical relevance to the safe storage and handling of EMs, remains underexplored compared to the well-studied strong shock conditions. To overcome the computational challenges associated with direct numerical simulations, we advance the Physics-Aware Recurrent Convolutional Neural Network (PARCv2), which has been shown to be capable of predicting strong shock responses in EMs. We improved the architecture of PARCv2 to rapidly predict shear localizations and plastic heating, which play important roles in the weak-to-moderate shock regime. PARCv2 is benchmarked against two widely used physics-informed models, namely, Fourier neural operator and neural ordinary differential equation; we demonstrate its superior performance in capturing the spatiotemporal dynamics of shear band formation. While all models exhibit certain failure modes, our findings underscore the importance of domain-specific considerations in developing robust AI-accelerated simulation tools for reactive materials.
Authors: Shayan Mohajer Hamidi, En-Hui Yang, Ben Liang
Abstract: Inverse problems, where the goal is to recover an unknown signal from noisy or incomplete measurements, are central to applications in medical imaging, remote sensing, and computational biology. Diffusion models have recently emerged as powerful priors for solving such problems. However, existing methods either rely on projection-based techniques that enforce measurement consistency through heuristic updates, or they approximate the likelihood $p(\boldsymbol{y} \mid \boldsymbol{x})$, often resulting in artifacts and instability under complex or high-noise conditions. To address these limitations, we propose a novel framework called \emph{coupled data and measurement space diffusion posterior sampling} (C-DPS), which eliminates the need for constraint tuning or likelihood approximation. C-DPS introduces a forward stochastic process in the measurement space $\{\boldsymbol{y}_t\}$, evolving in parallel with the data-space diffusion $\{\boldsymbol{x}_t\}$, which enables the derivation of a closed-form posterior $p(\boldsymbol{x}_{t-1} \mid \boldsymbol{x}_t, \boldsymbol{y}_{t-1})$. This coupling allows for accurate and recursive sampling based on a well-defined posterior distribution. Empirical results demonstrate that C-DPS consistently outperforms existing baselines, both qualitatively and quantitatively, across multiple inverse problem benchmarks.
Authors: Chris Engh, P. M. Aronow
Abstract: We propose a simple yet effective use of LLM-powered AI tools to improve causal estimation. In double machine learning, the accuracy of causal estimates of the effect of a treatment on an outcome in the presence of a high-dimensional confounder depends on the performance of estimators of conditional expectation functions. We show that predictions made by generative models trained on historical data can be used to improve the performance of these estimators relative to approaches that solely rely on adjusting for embeddings extracted from these models. We argue that the historical knowledge and reasoning capacities associated with these generative models can help overcome curse-of-dimensionality problems in causal inference problems. We consider a case study using a small dataset of online jewelry auctions, and demonstrate that inclusion of LLM-generated guesses as predictors can improve efficiency in estimation.
Authors: Yongshuai Liu, Lianfang Wang, Kuilin Qin, Qinghua Zhang, Faqiang Wang, Li Cui, Jun Liu, Yuping Duan, Tieyong Zeng
Abstract: Deep learning has become a pivotal technology in fields such as computer vision, scientific computing, and dynamical systems, significantly advancing these disciplines. However, neural Networks persistently face challenges related to theoretical understanding, interpretability, and generalization. To address these issues, researchers are increasingly adopting a differential equations perspective to propose a unified theoretical framework and systematic design methodologies for neural networks. In this paper, we provide an extensive review of deep neural network architectures and dynamic modeling methods inspired by differential equations. We specifically examine deep neural network models and deterministic dynamical network constructs based on ordinary differential equations (ODEs), as well as regularization techniques and stochastic dynamical network models informed by stochastic differential equations (SDEs). We present numerical comparisons of these models to illustrate their characteristics and performance. Finally, we explore promising research directions in integrating differential equations with deep learning to offer new insights for developing intelligent computational methods that boast enhanced interpretability and generalization capabilities.
Authors: Stanis{\l}aw Pawlak
Abstract: This study delves into the plasticity of neural networks, offering empirical support for the notion that critical learning periods and warm-starting performance loss can be avoided through simple adjustments to learning hyperparameters. The critical learning phenomenon emerges when training is initiated with deficit data. Subsequently, after numerous deficit epochs, the network's plasticity wanes, impeding its capacity to achieve parity in accuracy with models trained from scratch, even when extensive clean data training follows deficit epochs. Building upon seminal research introducing critical learning periods, we replicate key findings and broaden the experimental scope of the main experiment from the original work. In addition, we consider a warm-starting approach and show that it can be seen as a form of deficit pretraining. In particular, we demonstrate that these problems can be averted by employing a cyclic learning rate schedule. Our findings not only impact neural network training practices but also establish a vital link between critical learning periods and ongoing research on warm-starting neural network training.
Authors: Tejash Varsani
Abstract: Federated learning is distributed model training across several clients without disclosing raw data. Despite advancements in data privacy, risks still remain. Differential Privacy (DP) is a technique to protect sensitive data by adding noise to model updates, usually controlled by a fixed privacy budget. However, this approach can introduce excessive noise, particularly when the model converges, which compromises performance. To address this problem, adaptive privacy budgets have been investigated as a potential solution. This work implements DP methods using Laplace and Gaussian mechanisms with an adaptive privacy budget, extending the SelecEval simulator. We introduce an adaptive clipping approach in the Gaussian mechanism, ensuring that gradients of the model are dynamically updated rather than using a fixed sensitivity. We conduct extensive experiments with various privacy budgets, IID and non-IID datasets, and different numbers of selected clients per round. While our experiments were limited to 200 training rounds, the results suggest that adaptive privacy budgets and adaptive clipping can help maintain model accuracy while preserving privacy.
Authors: Jiakang Chen
Abstract: Partial differential equations (PDEs) underpin models across science and engineering, yet analytical solutions are atypical and classical mesh-based solvers can be costly in high dimensions. This dissertation presents a unified comparison of three mesh-free neural PDE solvers, physics-informed neural networks (PINNs), the deep Ritz method (DRM), and weak adversarial networks (WANs), on Poisson problems (up to 5D) and the time-independent Schr\"odinger equation in 1D/2D (infinite well and harmonic oscillator), and extends the study to a laser-driven case of Schr\"odinger's equation via the Kramers-Henneberger (KH) transformation. Under a common protocol, all methods achieve low $L_2$ errors ($10^{-6}$-$10^{-9}$) when paired with forced boundary conditions (FBCs), forced nodes (FNs), and orthogonality regularization (OG). Across tasks, PINNs are the most reliable for accuracy and recovery of excited spectra; DRM offers the best accuracy-runtime trade-off on stationary problems; WAN is more sensitive but competitive when weak-form constraints and FN/OG are used effectively. Sensitivity analyses show that FBC removes boundary-loss tuning, network width matters more than depth for single-network solvers, and most gains occur within 5000-10,000 epochs. The same toolkit solves the KH case, indicating transfer beyond canonical benchmarks. We provide practical guidelines for method selection and outline the following extensions: time-dependent formulations for DRM and WAN, adaptive residual-driven sampling, parallel multi-state training, and neural domain decomposition. These results support physics-guided neural solvers as credible, scalable tools for solving complex PDEs.
Authors: Xiaodan Li, Mengjie Wu, Yao Zhu, Yunna Lv, YueFeng Chen, Cen Chen, Jianmei Guo, Hui Xue
Abstract: Large models (LMs) are powerful content generators, yet their open-ended nature can also introduce potential risks, such as generating harmful or biased content. Existing guardrails mostly perform post-hoc detection that may expose unsafe content before it is caught, and the latency constraints further push them toward lightweight models, limiting detection accuracy. In this work, we propose Kelp, a novel plug-in framework that enables streaming risk detection within the LM generation pipeline. Kelp leverages intermediate LM hidden states through a Streaming Latent Dynamics Head (SLD), which models the temporal evolution of risk across the generated sequence for more accurate real-time risk detection. To ensure reliable streaming moderation in real applications, we introduce an Anchored Temporal Consistency (ATC) loss to enforce monotonic harm predictions by embedding a benign-then-harmful temporal prior. Besides, for a rigorous evaluation of streaming guardrails, we also present StreamGuardBench-a model-grounded benchmark featuring on-the-fly responses from each protected model, reflecting real-world streaming scenarios in both text and vision-language tasks. Across diverse models and datasets, Kelp consistently outperforms state-of-the-art post-hoc guardrails and prior plug-in probes (15.61% higher average F1), while using only 20M parameters and adding less than 0.5 ms of per-token latency.
Authors: Lorenzo Nikiforos, Charalampos Antoniadis, Luciano Prono, Fabio Pareschi, Riccardo Rovatti, Gianluca Setti
Abstract: The increasing scale of deep neural networks has led to a growing need for compression techniques such as pruning, quantization, and low-rank decomposition. While these methods are very effective in reducing memory, computation and energy consumption, they often introduce severe accuracy degradation when applied directly. We introduce Vanishing Contributions (VCON), a general approach for smoothly transitioning neural models into compressed form. Rather than replacing the original network directly with its compressed version, VCON executes the two in parallel during fine-tuning. The contribution of the original (uncompressed) model is progressively reduced, while that of the compressed model is gradually increased. This smooth transition allows the network to adapt over time, improving stability and mitigating accuracy degradation. We evaluate VCON across computer vision and natural language processing benchmarks, in combination with multiple compression strategies. Across all scenarios, VCON leads to consistent improvements: typical gains exceed 3%, while some configuration exhibits accuracy boosts of 20%. VCON thus provides a generalizable method that can be applied to the existing compression techniques, with evidence of consistent gains across multiple benchmarks.
Authors: Matthew Schlegel, Matthew E. Taylor, Mostafa Farrokhabadi
Abstract: Time domain simulation, i.e., modeling the system's evolution over time, is a crucial tool for studying and enhancing power system stability and dynamic performance. However, these simulations become computationally intractable for renewable-penetrated grids, due to the small simulation time step required to capture renewable energy resources' ultra-fast dynamic phenomena in the range of 1-50 microseconds. This creates a critical need for solutions that are both fast and scalable, posing a major barrier for the stable integration of renewable energy resources and thus climate change mitigation. This paper explores operator learning, a family of machine learning methods that learn mappings between functions, as a surrogate model for these costly simulations. The paper investigates, for the first time, the fundamental concept of simulation time step-invariance, which enables models trained on coarse time steps to generalize to fine-resolution dynamics. Three operator learning methods are benchmarked on a simple test system that, while not incorporating practical complexities of renewable-penetrated grids, serves as a first proof-of-concept to demonstrate the viability of time step-invariance. Models are evaluated on (i) zero-shot super-resolution, where training is performed on a coarse simulation time step and inference is performed at super-resolution, and (ii) generalization between stable and unstable dynamic regimes. This work addresses a key challenge in the integration of renewable energy for the mitigation of climate change by benchmarking operator learning methods to model physical systems.
Authors: Sudip Khadka, L. S. Paudel
Abstract: Static feature exclusion strategies often fail to prevent bias when hidden dependencies influence the model predictions. To address this issue, we explore a reinforcement learning (RL) framework that integrates bias mitigation and automated feature selection within a single learning process. Unlike traditional heuristic-driven filter or wrapper approaches, our RL agent adaptively selects features using a reward signal that explicitly integrates predictive performance with fairness considerations. This dynamic formulation allows the model to balance generalization, accuracy, and equity throughout the training process, rather than rely exclusively on pre-processing adjustments or post hoc correction mechanisms. In this paper, we describe the construction of a multi-component reward function, the specification of the agents action space over feature subsets, and the integration of this system with ensemble learning. We aim to provide a flexible and generalizable way to select features in environments where predictors are correlated and biases can inadvertently re-emerge.
Authors: Zhao Tong, Chunlin Gong, Yimeng Gu, Haichao Shi, Qiang Liu, Shu Wu, Xiao-Yu Zhang
Abstract: The spread of fake news online distorts public judgment and erodes trust in social media platforms. Although recent fake news detection (FND) models perform well in standard settings, they remain vulnerable to adversarial comments-authored by real users or by large language models (LLMs)-that subtly shift model decisions. In view of this, we first present a comprehensive evaluation of comment attacks to existing fake news detectors and then introduce a group-adaptive adversarial training strategy to improve the robustness of FND models. To be specific, our approach comprises three steps: (1) dividing adversarial comments into three psychologically grounded categories: perceptual, cognitive, and societal; (2) generating diverse, category-specific attacks via LLMs to enhance adversarial training; and (3) applying a Dirichlet-based adaptive sampling mechanism (InfoDirichlet Adjusting Mechanism) that dynamically adjusts the learning focus across different comment categories during training. Experiments on benchmark datasets show that our method maintains strong detection accuracy while substantially increasing robustness to a wide range of adversarial comment perturbations.
Authors: Zhenlong Liu, Hao Zeng, Weiran Huang, Hongxin Wei
Abstract: Identifying training data within large-scale models is critical for copyright litigation, privacy auditing, and ensuring fair evaluation. The conventional approaches treat it as a simple binary classification task without statistical guarantees. A recent approach is designed to control the false discovery rate (FDR), but its guarantees rely on strong, easily violated assumptions. In this paper, we introduce Provable Training Data Identification (PTDI), a rigorous method that identifies a set of training data with strict false discovery rate (FDR) control. Specifically, our method computes p-values for each data point using a set of known unseen data, and then constructs a conservative estimator for the data usage proportion of the test set, which allows us to scale these p-values. Our approach then selects the final set of training data by identifying all points whose scaled p-values fall below a data-dependent threshold. This entire procedure enables the discovery of training data with provable, strict FDR control and significantly boosted power. Extensive experiments across a wide range of models (LLMs and VLMs), and datasets demonstrate that PTDI strictly controls the FDR and achieves higher power.
Authors: A. Jung
Abstract: We consider the problem of federated clustering, where interconnected devices have access to private local datasets and need to jointly cluster the overall dataset without sharing their local dataset. Our focus is on hard clustering based on the k-means principle. We formulate federated k-means clustering as an instance of GTVMin. This formulation naturally lends to a federated k-means algorithm where each device updates local cluster centroids by solving a modified local k-means problem. The modification involves adding a penalty term to measure the discrepancy between the cluster centroid of neighbouring devices. Our federated k-means algorithm is privacy-friendly as it only requires sharing aggregated information among interconnected devices.
Authors: Chenxu Wang, Hao Li, Yiqun Zhang, Linyao Chen, Jianhao Chen, Ping Jian, Peng Ye, Qiaosheng Zhang, Shuyue Hu
Abstract: Large language models (LLMs) often exhibit complementary strengths. Model routing harnesses these strengths by dynamically directing each query to the most suitable model, given a candidate model pool. However, routing performance relies on accurate model representations, and adding new models typically requires retraining, limiting scalability. To address these challenges, we propose a novel routing method using in-context vectors to represent model capabilities. The method proceeds in two stages. First, queries are embedded and projected into vectors, with a projector and LLM-based router trained to reconstruct the original queries, aligning vector representations with the router's semantic space. Second, each candidate model is profiled on a query set, and the router learns -- based on in-context vectors of query and model performance -- to predict whether each model can correctly answer new queries. Extensive experiments demonstrate that our method achieves state-of-the-art routing performance in both in-distribution and out-of-distribution tasks. Moreover, our method allows for seamless integration of new models without retraining the router. The code is available at https://github.com/lalalamdbf/ICL-Router.
Authors: Gregory D. Baker
Abstract: In this paper, we introduce Narrative Learning, a methodology where models are defined entirely in natural language and iteratively refine their classification criteria using explanatory prompts rather than traditional numerical optimisation. We report on experiments to evaluate the accuracy and potential of this approach using 3 synthetic and 3 natural datasets and compare them against 7 baseline explainable machine learning models. We demonstrate that on 5 out of 6 of these datasets, Narrative Learning became more accurate than the baseline explainable models in 2025 or earlier because of improvements in language models. We also report on trends in the lexicostatistics of these models' outputs as a proxy for the comprehensibility of the explanations.
Authors: P. van Oerle, R. H. Bemthuis, F. A. Bukhsh
Abstract: Large Language Models (LLMs) are increasingly used to generate textual explanations of process models discovered from event logs. Producing explanations from large behavioral abstractions (e.g., directly-follows graphs or Petri nets) can be computationally expensive. This paper reports an exploratory evaluation of explanation quality under progressive behavioral-input reduction, where models are discovered from progressively smaller prefixes of a fixed log. Our pipeline (i) discovers models at multiple input sizes, (ii) prompts an LLM to generate explanations, and (iii) uses a second LLM to assess completeness, bottleneck identification, and suggested improvements. On synthetic logs, explanation quality is largely preserved under moderate reduction, indicating a practical cost-quality trade-off. The study is exploratory, as the scores are LLM-based (comparative signals rather than ground truth) and the data are synthetic. The results suggest a path toward more computationally efficient, LLM-assisted process analysis in resource-constrained settings.
Authors: Jindong Tian, Yifei Ding, Ronghui Xu, Hao Miao, Chenjuan Guo, Bin Yang
Abstract: Weather forecasting is a fundamental task in spatiotemporal data analysis, with broad applications across a wide range of domains. Existing data-driven forecasting methods typically model atmospheric dynamics over a fixed short time interval (e.g., 6 hours) and rely on naive autoregression-based rollout for long-term forecasting (e.g., 138 hours). However, this paradigm suffers from two key limitations: (1) it often inadequately models the spatial and multi-scale temporal dependencies inherent in global weather systems, and (2) the rollout strategy struggles to balance error accumulation with the capture of fine-grained atmospheric variations. In this study, we propose ARROW, an Adaptive-Rollout Multi-scale temporal Routing method for Global Weather Forecasting. To contend with the first limitation, we construct a multi-interval forecasting model that forecasts weather across different time intervals. Within the model, the Shared-Private Mixture-of-Experts captures both shared patterns and specific characteristics of atmospheric dynamics across different time scales, while Ring Positional Encoding accurately encodes the circular latitude structure of the Earth when representing spatial information. For the second limitation, we develop an adaptive rollout scheduler based on reinforcement learning, which selects the most suitable time interval to forecast according to the current weather state. Experimental results demonstrate that ARROW achieves state-of-the-art performance in global weather forecasting, establishing a promising paradigm in this field.
Authors: Qianyou Sun, Jiexin Zheng, Bohan Jin, Lihua Chen, Yijie Peng
Abstract: Identifying inter-firm relationships such as supply and competitive ties is critical for financial analysis and corporate governance, yet remains challenging due to the scale, sparsity, and contextual dependence of corporate data. Graph-based methods capture structure but miss semantic depth, while large language models (LLMs) excel at text but remain limited in their ability to represent relational dependencies. To address this, we propose InterCorpRel-LLM, a cross-modal framework that integrates GNNs with LLMs, supported by a proprietary dataset derived from FactSet supply chain records and three tailored training tasks: company graph matching, industry classification, and supply relation prediction. This design enables effective joint modeling of structure and semantics. Experiments show that InterCorpRel-LLM substantially outperforms strong baselines, including GPT-5, on a supply relation identification task, achieving an F-score of 0.8543 vs. 0.2287 with only a 7B-parameter backbone and lightweight training. The model also generalizes to zero-shot competitor identification, underscoring its ability to capture nuanced inter-firm dynamics. Our framework thus provides analysts and strategists with a robust tool for mapping and reasoning about complex corporate networks, enhancing decision-making and risk management in dynamic markets.
Authors: Ayoub Bouguettaya, Elizabeth M. Stuart
Abstract: The lexical hypothesis posits that personality traits are encoded in language and is foundational to models like the Big Five. We created a bottom-up personality model from a classic adjective list using machine learning and compared its descriptive utility against the Big Five by analyzing one million Reddit comments. The Big Five, particularly Agreeableness, Conscientiousness, and Neuroticism, provided a far more powerful and interpretable description of these online communities. In contrast, our machine-learning clusters provided no meaningful distinctions, failed to recover the Extraversion trait, and lacked the psychometric coherence of the Big Five. These results affirm the robustness of the Big Five and suggest personality's semantic structure is context-dependent. Our findings show that while machine learning can help check the ecological validity of established psychological theories, it may not be able to replace them.
Authors: Atharv Goel, Sharat Agarwal, Saket Anand, Chetan Arora
Abstract: Active Learning (AL) promises to reduce annotation cost by prioritizing informative samples, yet its reliability is undermined when labels are noisy or when the data distribution shifts. In practice, annotators make mistakes, rare categories are ambiguous, and conventional AL heuristics (uncertainty, diversity) often amplify such errors by repeatedly selecting mislabeled or redundant samples. We propose Reliable Active Learning via Neural Collapse Geometry (NCAL-R), a framework that leverages the emergent geometric regularities of deep networks to counteract unreliable supervision. Our method introduces two complementary signals: (i) a Class-Mean Alignment Perturbation score, which quantifies how candidate samples structurally stabilize or distort inter-class geometry, and (ii) a Feature Fluctuation score, which captures temporal instability of representations across training checkpoints. By combining these signals, NCAL-R prioritizes samples that both preserve class separation and highlight ambiguous regions, mitigating the effect of noisy or redundant labels. Experiments on ImageNet-100 and CIFAR100 show that NCAL-R consistently outperforms standard AL baselines, achieving higher accuracy with fewer labels, improved robustness under synthetic label noise, and stronger generalization to out-of-distribution data. These results suggest that incorporating geometric reliability criteria into acquisition decisions can make Active Learning less brittle to annotation errors and distribution shifts, a key step toward trustworthy deployment in real-world labeling pipelines. Our code is available at https://github.com/Vision-IIITD/NCAL.
Authors: Sai Krishna Reddy Mudhiganti, Juanyan Wang, Ruo Yang, Manali Sharma
Abstract: Patent drafting presents significant challenges due to its reliance on the extensive experience and specialized expertise of patent attorneys, who must possess both legal acumen and technical understanding of an invention to craft patent applications in a formal legal writing style. This paper presents a demonstration of Patentformer, an AI-powered automated patent drafting platform designed to support patent attorneys by rapidly producing high-quality patent applications adhering to legal writing standards.
Authors: Ruo Yang, Sai Krishna Reddy Mudhiganti, Manali Sharma
Abstract: Patent drafting is complex due to its need for detailed technical descriptions, legal compliance, and visual elements. Although Large Vision Language Models (LVLMs) show promise across various tasks, their application in automating patent writing remains underexplored. In this paper, we present PatentVision, a multimodal framework that integrates textual and visual inputs such as patent claims and drawings to generate complete patent specifications. Built on advanced LVLMs, PatentVision enhances accuracy by combining fine tuned vision language models with domain specific training tailored to patents. Experiments reveal it surpasses text only methods, producing outputs with greater fidelity and alignment with human written standards. Its incorporation of visual data allows it to better represent intricate design features and functional connections, leading to richer and more precise results. This study underscores the value of multimodal techniques in patent automation, providing a scalable tool to reduce manual workloads and improve consistency. PatentVision not only advances patent drafting but also lays the groundwork for broader use of LVLMs in specialized areas, potentially transforming intellectual property management and innovation processes.
Authors: Wanting Mao, Maxwell A Xu, Harish Haresamudram, Mithun Saha, Santosh Kumar, James Matthew Rehg
Abstract: Modeling multi-modal time-series data is critical for capturing system-level dynamics, particularly in biosignals where modalities such as ECG, PPG, EDA, and accelerometry provide complementary perspectives on interconnected physiological processes. While recent self-supervised learning (SSL) advances have improved unimodal representation learning, existing multi-modal approaches often rely on CLIP-style contrastive objectives that overfit to easily aligned features and misclassify valid cross-modal relationships as negatives, resulting in fragmented and non-generalizable embeddings. To overcome these limitations, we propose ProtoMM, a novel SSL framework that introduces a shared prototype dictionary to anchor heterogeneous modalities in a common embedding space. By clustering representations around shared prototypes rather than explicit negative sampling, our method captures complementary information across modalities and provides a coherent "common language" for physiological signals. In this work, we focus on developing a Pulse Motion foundation model with ProtoMM and demonstrate that our approach outperforms contrastive-only and prior multimodal SSL methods, achieving state-of-the-art performance while offering improved interpretability of learned features.
Authors: Yifan Lu, Ziyun Zou, Belal Alsinglawi, Islam Al-Qudah, Izzat Alsmadi, Feilong Tang, Pengfei Jiao, Shoaib Jameel
Abstract: Graph Transformers have recently achieved remarkable progress in graph representation learning by capturing long-range dependencies through self-attention. However, their quadratic computational complexity and inability to effectively model heterogeneous semantics severely limit their scalability and generalization on real-world heterogeneous graphs. To address these issues, we propose HeSRN, a novel Heterogeneous Slot-aware Retentive Network for efficient and expressive heterogeneous graph representation learning. HeSRN introduces a slot-aware structure encoder that explicitly disentangles node-type semantics by projecting heterogeneous features into independent slots and aligning their distributions through slot normalization and retention-based fusion, effectively mitigating the semantic entanglement caused by forced feature-space unification in previous Transformer-based models. Furthermore, we replace the self-attention mechanism with a retention-based encoder, which models structural and contextual dependencies in linear time complexity while maintaining strong expressive power. A heterogeneous retentive encoder is further employed to jointly capture both local structural signals and global heterogeneous semantics through multi-scale retention layers. Extensive experiments on four real-world heterogeneous graph datasets demonstrate that HeSRN consistently outperforms state-of-the-art heterogeneous graph neural networks and Graph Transformer baselines on node classification tasks, achieving superior accuracy with significantly lower computational complexity.
Authors: Khang Ngo, Siamak Ravanbakhsh
Abstract: We present an empirical study in the geometric task of learning interatomic potentials, which shows equivariance matters even more at larger scales; we show a clear power-law scaling behaviour with respect to data, parameters and compute with ``architecture-dependent exponents''. In particular, we observe that equivariant architectures, which leverage task symmetry, scale better than non-equivariant models. Moreover, among equivariant architectures, higher-order representations translate to better scaling exponents. Our analysis also suggests that for compute-optimal training, the data and model sizes should scale in tandem regardless of the architecture. At a high level, these results suggest that, contrary to common belief, we should not leave it to the model to discover fundamental inductive biases such as symmetry, especially as we scale, because they change the inherent difficulty of the task and its scaling laws.
Authors: Alex Hiles, Bashar I. Ahmad
Abstract: Fingerprinting Radio Frequency (RF) emitters typically involves finding unique emitter characteristics that are featured in their transmitted signals. These fingerprints are nuanced but sufficiently detailed, motivating the pursuit of methods that can successfully extract them. The most granular downstream task is known as Specific Emitter Identification (SEI), which requires a well informed RF fingerprinting (RFF) approach for it to be successful. RFF and SEI have a long history, with numerous application areas in defence and civilian contexts such as signal intelligence, electronic surveillance, physical-layer authentication of wireless communication devices, to name a few. RFF methods also support many other downstream tasks such as Emitter Data Association (EDA) and RF Emitter Clustering (RFEC) and are applicable to a range of transmission types. In recent years, data-driven approaches have become popular in the RFF domain due to their ability to automatically learn intricate fingerprints from raw data. These methods generally deliver superior performance when compared to traditional techniques. The more traditional approaches are often labour-intensive, inflexible and only applicable to a particular emitter type or transmission scheme. Therefore, we consider data-driven Machine Learning (ML)-enabled RFF. In particular, we propose a generic framework for ML-enabled RFF which is inclusive of several popular downstream tasks such as SEI, EDA and RFEC. Each task is formulated as a RF fingerprint-dependent task. A variety of use cases using real RF datasets are presented here to demonstrate the framework for a range of tasks and application areas, such as spaceborne surveillance, signal intelligence and countering drones.
Authors: Yufa Zhou, Yixiao Wang, Surbhi Goel, Anru R. Zhang
Abstract: Time series forecasting (TSF) remains a challenging and largely unsolved problem in machine learning, despite significant recent efforts leveraging Large Language Models (LLMs), which predominantly rely on Transformer architectures. Empirical evidence consistently shows that even powerful Transformers often fail to outperform much simpler models, e.g., linear models, on TSF tasks; however, a rigorous theoretical understanding of this phenomenon remains limited. In this paper, we provide a theoretical analysis of Transformers' limitations for TSF through the lens of In-Context Learning (ICL) theory. Specifically, under AR($p$) data, we establish that: (1) Linear Self-Attention (LSA) models $\textit{cannot}$ achieve lower expected MSE than classical linear models for in-context forecasting; (2) as the context length approaches to infinity, LSA asymptotically recovers the optimal linear predictor; and (3) under Chain-of-Thought (CoT) style inference, predictions collapse to the mean exponentially. We empirically validate these findings through carefully designed experiments. Our theory not only sheds light on several previously underexplored phenomena but also offers practical insights for designing more effective forecasting architectures. We hope our work encourages the broader research community to revisit the fundamental theoretical limitations of TSF and to critically evaluate the direct application of increasingly sophisticated architectures without deeper scrutiny.
Authors: ChengAo Shen, Ziming Zhao, Hanghang Tong, Dongjin Song, Dongsheng Luo, Qingsong Wen, Jingchao Ni
Abstract: Time series AI is crucial for analyzing dynamic web content, driving a surge of pre-trained large models known for their strong knowledge encoding and transfer capabilities across diverse tasks. However, given their energy-intensive training, inference, and hardware demands, using large models as a one-fits-all solution raises serious concerns about carbon footprint and sustainability. For a specific task, a compact yet specialized, high-performing model may be more practical and affordable, especially for resource-constrained users such as small businesses. This motivates the question: Can we build cost-effective lightweight models with large-model-like performance on core tasks such as forecasting? This paper addresses this question by introducing SVTime, a novel Small model inspired by large Vision model (LVM) forecasters for long-term Time series forecasting (LTSF). Recently, LVMs have been shown as powerful tools for LTSF. We identify a set of key inductive biases of LVM forecasters -- analogous to the "physics" governing their behaviors in LTSF -- and design small models that encode these biases through meticulously crafted linear layers and constraint functions. Across 21 baselines spanning lightweight, complex, and pre-trained large models on 8 benchmark datasets, SVTime outperforms state-of-the-art (SOTA) lightweight models and rivals large models with 10^3 fewer parameters than LVMs, while enabling efficient training and inference in low-resource settings.
Authors: Yue Huang, Hang Hua, Yujun Zhou, Pengcheng Jing, Manish Nagireddy, Inkit Padhi, Greta Dolcetti, Zhangchen Xu, Subhajit Chaudhury, Ambrish Rawat, Liubov Nedoshivina, Pin-Yu Chen, Prasanna Sattigeri, Xiangliang Zhang
Abstract: While LLM agents can plan multi-step tasks, intervening at the planning stage-before any action is executed-is often the safest way to prevent harm, since certain risks can lead to severe consequences once carried out. However, existing guardrails mostly operate post-execution, which is difficult to scale and leaves little room for controllable supervision at the plan level. To address this challenge, we highlight three critical gaps in current research: data gap, model gap, and evaluation gap. To close the data gap, we introduce AuraGen, a controllable engine that (i) synthesizes benign trajectories, (ii) injects category-labeled risks with calibrated difficulty, and (iii) filters outputs via an automated reward model, producing large and reliable corpora for pre-execution safety. To close the guardian model gap, we propose a foundational guardrail Safiron, combining a cross-planner adapter with a compact guardian model. The adapter unifies different input formats, while Safiron flags risky cases, assigns risk types, and generates rationales; trained in two stages with a broadly explored data recipe, Safiron achieves robust transfer across settings. To close the evaluation gap, we release Pre-Exec Bench, a realistic benchmark covering diverse tools and branching trajectories, which measures detection, fine-grained categorization, explanation, and cross-planner generalization in human-verified scenarios. Extensive experiments demonstrate consistent gains of the proposed guardrail over strong baselines on Pre-Exec Bench, and ablations further distill actionable practices, providing a practical template for safer agentic systems.
Authors: Dang Nguyen, Sunil Gupta, Kien Do, Thin Nguyen, Taylor Braund, Alexis Whitton, Svetha Venkatesh
Abstract: Oversampling is one of the most widely used approaches for addressing imbalanced classification. The core idea is to generate additional minority samples to rebalance the dataset. Most existing methods, such as SMOTE, require converting categorical variables into numerical vectors, which often leads to information loss. Recently, large language model (LLM)-based methods have been introduced to overcome this limitation. However, current LLM-based approaches typically generate minority samples with limited diversity, reducing robustness and generalizability in downstream classification tasks. To address this gap, we propose a novel LLM-based oversampling method designed to enhance diversity. First, we introduce a sampling strategy that conditions synthetic sample generation on both minority labels and features. Second, we develop a new permutation strategy for fine-tuning pre-trained LLMs. Third, we fine-tune the LLM not only on minority samples but also on interpolated samples to further enrich variability. Extensive experiments on 10 tabular datasets demonstrate that our method significantly outperforms eight SOTA baselines. The generated synthetic samples are both realistic and diverse. Moreover, we provide theoretical analysis through an entropy-based perspective, proving that our method encourages diversity in the generated samples.
Authors: Richard John, Yunrui Qiu, Lukas Herron, Pratyush Tiwary
Abstract: Generative modeling becomes increasingly data-intensive in high-dimensional spaces. In molecular science, where data collection is expensive and important events are rare, compression to lower-dimensional manifolds is especially important for various downstream tasks, including generation. We combine a time-lagged information bottleneck designed to characterize molecular important representations and a diffusion model in one joint training objective. The resulting protocol, which we term Diffusive State Predictive Information Bottleneck (D-SPIB), enables the balancing of representation learning and generation aims in one flexible architecture. Additionally, the model is capable of combining temperature information from different molecular simulation trajectories to learn a coherent and useful internal representation of thermodynamics. We benchmark D-SPIB on multiple molecular tasks and showcase its potential for exploring physical conditions outside the training set.
Authors: Vahidreza Jahanmard, Ali Ramezani-Kebrya, Robinson Hordoir
Abstract: Neural operators are becoming the default tools to learn solutions to governing partial differential equations (PDEs) in weather and ocean forecasting applications. Despite early promising achievements, significant challenges remain, including long-term prediction stability and adherence to physical laws, particularly for high-frequency processes. In this paper, we take a step toward addressing these challenges in high-resolution ocean prediction by incorporating temporal Fourier modes, demonstrating how this modification enhances physical fidelity. This study compares the standard Fourier Neural Operator (FNO) with its variant, FNOtD, which has been modified to internalize the dispersion relation while learning the solution operator for ocean PDEs. The results demonstrate that entangling space and time in the training of integral kernels enables the model to capture multiscale wave propagation and effectively learn ocean dynamics. FNOtD substantially improves long-term prediction stability and consistency with underlying physical dynamics in challenging high-frequency settings compared to the standard FNO. It also provides competitive predictive skill relative to a state-of-the-art numerical ocean model, while requiring significantly lower computational cost.
Authors: Lianghuan Huang, Yingshan Chang
Abstract: Mechanistic interpretability seeks to uncover how internal components of neural networks give rise to predictions. A persistent challenge, however, is disentangling two often conflated notions: decodability--the recoverability of information from hidden states--and causality--the extent to which those states functionally influence outputs. In this work, we investigate their relationship in vision transformers (ViTs) fine-tuned for object counting. Using activation patching, we test the causal role of spatial and CLS tokens by transplanting activations across clean-corrupted image pairs. In parallel, we train linear probes to assess the decodability of count information at different depths. Our results reveal systematic mismatches: middle-layer object tokens exert strong causal influence despite being weakly decodable, whereas final-layer object tokens support accurate decoding yet are functionally inert. Similarly, the CLS token becomes decodable in mid-layers but only acquires causal power in the final layers. These findings highlight that decodability and causality reflect complementary dimensions of representation--what information is present versus what is used--and that their divergence can expose hidden computational circuits.
Authors: Xiaoyu Wang, Alexandra Valavanis, Azhir Mahmood, Andreas Mang, Martin Benning, Audrey Repetti
Abstract: The training of deep neural networks predominantly relies on a combination of gradient-based optimisation and back-propagation for the computation of the gradient. While incredibly successful, this approach faces challenges such as vanishing or exploding gradients, difficulties with non-smooth activations, and an inherently sequential structure that limits parallelisation. Lifted training methods offer an alternative by reformulating the nested optimisation problem into a higher-dimensional, constrained optimisation problem where the constraints are no longer enforced directly but penalised with penalty terms. This chapter introduces a unified framework that encapsulates various lifted training strategies, including the Method of Auxiliary Coordinates, Fenchel Lifted Networks, and Lifted Bregman Training, and demonstrates how diverse architectures, such as Multi-Layer Perceptrons, Residual Neural Networks, and Proximal Neural Networks fit within this structure. By leveraging tools from convex optimisation, particularly Bregman distances, the framework facilitates distributed optimisation, accommodates non-differentiable proximal activations, and can improve the conditioning of the training landscape. We discuss the implementation of these methods using block-coordinate descent strategies, including deterministic implementations enhanced by accelerated and adaptive optimisation techniques, as well as implicit stochastic gradient methods. Furthermore, we explore the application of this framework to inverse problems, detailing methodologies for both the training of specialised networks (e.g., unrolled architectures) and the stable inversion of pre-trained networks. Numerical results on standard imaging tasks validate the effectiveness and stability of the lifted Bregman approach compared to conventional training, particularly for architectures employing proximal activations.
Authors: Jeffrey Camlin
Abstract: We present a latent-space formulation of adaptive temporal reparametrization for continuous-time dynamical systems. The method, called *temporal lifting*, introduces a smooth monotone mapping $t \mapsto \tau(t)$ that regularizes near-singular behavior of the underlying flow while preserving its conservation laws. In the lifted coordinate, trajectories such as those of the incompressible Navier-Stokes equations on the torus $\mathbb{T}^3$ become globally smooth. From the standpoint of machine-learning dynamics, temporal lifting acts as a continuous-time normalization or time-warping operator that can stabilize physics-informed neural networks and other latent-flow architectures used in AI systems. The framework links analytic regularity theory with representation-learning methods for stiff or turbulent processes.
Authors: Mohsen Joneidi
Abstract: We propose the Decomposer Networks (DecompNet), a semantic autoencoder that factorizes an input into multiple interpretable components. Unlike classical autoencoders that compress an input into a single latent representation, the Decomposer Network maintains N parallel branches, each assigned a residual input defined as the original signal minus the reconstructions of all other branches. By unrolling a Gauss--Seidel style block-coordinate descent into a differentiable network, DecompNet enforce explicit competition among components, yielding parsimonious, semantically meaningful representations. We situate our model relative to linear decomposition methods (PCA, NMF), deep unrolled optimization, and object-centric architectures (MONet, IODINE, Slot Attention), and highlight its novelty as the first semantic autoencoder to implement an all-but-one residual update rule.
Authors: Michael Crawshaw, Chirag Modi, Mingrui Liu, Robert M. Gower
Abstract: To define a steepest descent method over a neural network, we need to choose a norm for each layer, a way to aggregate these norms across layers, and whether to use normalization. We systematically explore different alternatives for aggregating norms across layers, both formalizing existing combinations of Adam and the recently proposed Muon as a type of non-Euclidean gradient descent, and deriving new variants of the Muon optimizer. Through a comprehensive experimental evaluation of the optimizers within our framework, we find that Muon is sensitive to the choice of learning rate, whereas a new variant we call MuonMax is significantly more robust. We then show how to combine any non-Euclidean gradient method with model based momentum (known as Momo). The new Momo variants of Muon are significantly more robust to hyperparameter tuning, and often achieve a better validation score. Thus for new tasks, where the optimal hyperparameters are not known, we advocate for using Momo in combination with MuonMax to save on costly hyperparameter tuning.
Authors: Nicholas LaHaye, Thilanka Munashinge, Hugo Lee, Xiaohua Pan, Gonzalo Gonzalez Abad, Hazem Mahmoud, Jennifer Wei
Abstract: This work demonstrates the possibilities for improving wildfire and air quality management in the western United States by leveraging the unprecedented hourly data from NASA's TEMPO satellite mission and advances in self-supervised deep learning. Here we demonstrate the efficacy of deep learning for mapping the near real-time hourly spread of wildfire fronts and smoke plumes using an innovative self-supervised deep learning-system: successfully distinguishing smoke plumes from clouds using GOES-18 and TEMPO data, strong agreement across the smoke and fire masks generated from different sensing modalities as well as significant improvement over operational products for the same cases.
Authors: Zhenjiang Fan, Zengyi Qin, Yuanning Zheng, Bo Xiong, Summer Han
Abstract: Causal discovery from observational data is fundamental to scientific fields like biology, where controlled experiments are often impractical. However, existing methods, including constraint-based (e.g., PC, causalMGM) and score-based approaches (e.g., NOTEARS), face significant limitations. These include an inability to resolve causal direction, restrictions to linear associations, sensitivity to violations of the faithfulness assumption, and inefficiency in searching vast hypothesis spaces. While large language models (LLMs) offer powerful reasoning capabilities, their application is hindered by a fundamental discrepancy: they are designed for text, while most causal data is tabular. To address these challenges, we introduce CALM, a novel causal analysis language model specifically designed for tabular data in complex systems. CALM leverages a Mamba-based architecture to classify causal patterns from pairwise variable relationships. It integrates a comprehensive suite of evidence, including local causal scores, conditional independence tests, and relational attributes, to capture a wide spectrum of linear, nonlinear, and conditional causal mechanisms. Trained on a diverse corpus of synthetic data (from linear, mixed, and nonlinear models) and 10 real-world biological datasets with rigorously validated causal relationships, our model ensures robustness and generalizability. Empirical evaluation demonstrates that CALM significantly outperforms existing methods in both simulation studies, achieving over 91% accuracy, and in a real-world application identifying causal factors in Hepatitis C virus progression. This work represents a significant step towards accurate and generalizable causal discovery by successfully adapting the pattern recognition capabilities of language models to the intricacies of tabular data.
Authors: Shivam Patel, Neharika Jali, Ankur Mallick, Gauri Joshi
Abstract: Large language model (LLM) query routers are critical to modern AI platforms as they seek to improve efficiency by assigning inference queries to accurate, yet low-cost models. Parametric routers typically use trained neural networks for LLM selection but suffer from retraining and maintenance overheads. Nonparametric routers are training-free, instead estimating LLM accuracy and cost via similarity between encodings of the input query and training set queries. However, like their parametric counterparts, nonparametric routers struggle to generalize to outlier queries, an issue exacerbated by limited diversity in training sets which are costly to expand and difficult to keep current with ever-evolving use cases. We propose ProxRouter, which applies an exponentially tilted aggregation mechanism to balance bias and variance in nonparametric routers, improving their robustness to outliers. Experiments show ProxRouter enhances outlier routing while preserving inlier performance with minimal overhead.
Authors: Sanjari Srivastava, Gang Li, Cheng Chang, Rishu Garg, Manpreet Kaur, Charlene Y. Lee, Yuezhang Li, Yining Mao, Ignacio Cases, Yanan Xie, Peng Qi
Abstract: Training web agents to navigate complex, real-world websites requires them to master $\textit{subtasks}$ - short-horizon interactions on multiple UI components (e.g., choosing the correct date in a date picker, or scrolling in a container to extract information). We introduce WARC-Bench (Web Archive Benchmark), a novel web navigation benchmark featuring 438 tasks designed to evaluate multimodal AI agents on subtasks. WARC-Bench enables sandboxed interactions with dynamic and realistic webpages using Web ARChive files. We show that WARC-Bench is challenging for leading computer-use models, with the highest observed success rate being 64.8%. To improve open source models on subtask, we explore two common training techniques: supervised fine-tuning (SFT) and reinforcement learning with verifiable rewards (RLVR). Experiments show that SFT models obtain a 48.8% success rate on the benchmark. Training with RLVR over SFT checkpoints, even in data-scarce settings, improves the score to 52.8% on WARC-Bench, outperforming many frontier models. Our analysis concludes that mastering these subtasks is essential for robust web planning and navigation, and is a capability not extensively evaluated by existing benchmarks.
Authors: Kangping Hu, Stephen Mussmann
Abstract: Over the past couple of decades, many active learning acquisition functions have been proposed, leaving practitioners with an unclear choice of which to use. Bayesian Decision Theory (BDT) offers a universal principle to guide decision-making. In this work, we derive BDT for (Bayesian) active learning in the myopic framework, where we imagine we only have one more point to label. This derivation leads to effective algorithms such as Expected Error Reduction (EER), Expected Predictive Information Gain (EPIG), and other algorithms that appear in the literature. Furthermore, we show that BAIT (active learning based on V-optimal experimental design) can be derived from BDT and asymptotic approximations. A key challenge of such methods is the difficult scaling to large batch sizes, leading to either computational challenges (BatchBALD) or dramatic performance drops (top-$B$ selection). Here, using a particular formulation of the decision process, we derive Partial Batch Label Sampling (ParBaLS) for the EPIG algorithm. We show experimentally for several datasets that ParBaLS EPIG gives superior performance for a fixed budget and Bayesian Logistic Regression on Neural Embeddings. Our code is available at https://github.com/ADDAPT-ML/ParBaLS.
Authors: Soheila Farokhi, Xiaojun Qi, Hamid Karimi
Abstract: Dynamic graph representation learning has become essential for analyzing evolving networks in domains such as social network analysis, recommendation systems, and traffic analysis. However, existing continuous-time methods face three key challenges: (1) some methods depend solely on node-specific memory without effectively incorporating information from neighboring nodes, resulting in embedding staleness; (2) most fail to explicitly capture correlations between node neighborhoods, limiting contextual awareness; and (3) many fail to fully capture the structural dynamics of evolving graphs, especially in absence of rich link attributes. To address these limitations, we introduce TAWRMAC-a novel framework that integrates Temporal Anonymous Walks with Restart, Memory Augmentation, and Neighbor Co-occurrence embedding. TAWRMAC enhances embedding stability through a memory-augmented GNN with fixedtime encoding and improves contextual representation by explicitly capturing neighbor correlations. Additionally, its Temporal Anonymous Walks with Restart mechanism distinguishes between nodes exhibiting repetitive interactions and those forming new connections beyond their immediate neighborhood. This approach captures structural dynamics better and supports strong inductive learning. Extensive experiments on multiple benchmark datasets demonstrate that TAWRMAC consistently outperforms state-of-the-art methods in dynamic link prediction and node classification under both transductive and inductive settings across three different negative sampling strategies. By providing stable, generalizable, and context-aware embeddings, TAWRMAC advances the state of the art in continuous-time dynamic graph learning. The code is available at https://anonymous.4open.science/r/tawrmac-A253 .
Authors: Yunlong Feng, Qiang Wu
Abstract: We investigate robust nonparametric regression in the presence of heavy-tailed noise, where the hypothesis class may contain unbounded functions and robustness is ensured via a robust loss function $\ell_\sigma$. Using Huber regression as a close-up example within Tikhonov-regularized risk minimization in reproducing kernel Hilbert spaces (RKHS), we address two central challenges: (i) the breakdown of standard concentration tools under weak moment assumptions, and (ii) the analytical difficulties introduced by unbounded hypothesis spaces. Our first message is conceptual: conventional generalization-error bounds for robust losses do not faithfully capture out-of-sample performance. We argue that learnability should instead be quantified through prediction error, namely the $L_2$-distance to the truth $f^\star$, which is $\sigma$-independent and directly reflects the target of robust estimation. To make this workable under unboundedness, we introduce a \emph{probabilistic effective hypothesis space} that confines the estimator with high probability and enables a meaningful bias--variance decomposition under weak $(1+\epsilon)$-moment conditions. Technically, we establish new comparison theorems linking the excess robust risk to the $L_2$ prediction error up to a residual of order $\mathcal{O}(\sigma^{-2\epsilon})$, clarifying the robustness--bias trade-off induced by the scale parameter $\sigma$. Building on this, we derive explicit finite-sample error bounds and convergence rates for Huber regression in RKHS that hold without uniform boundedness and under heavy-tailed noise. Our study delivers principled tuning rules, extends beyond Huber to other robust losses, and highlights prediction error, not excess generalization risk, as the fundamental lens for analyzing robust learning.
Authors: Parsa Gooya, Reinel Sospedra-Alfonso
Abstract: Seasonal forecast of Arctic sea ice concentration is key to mitigate the negative impact and assess potential opportunities posed by the rapid decline of sea ice coverage. Seasonal prediction systems based on climate models often show systematic biases and complex spatio-temporal errors that grow with the forecasts. Consequently, operational predictions are routinely bias corrected and calibrated using retrospective forecasts. For predictions of Arctic sea ice concentration, error corrections are mainly based on one-to-one post-processing methods including climatological mean or linear regression correction and, more recently, machine learning. Such deterministic adjustments are confined at best to the limited number of costly-to-run ensemble members of the raw forecast. However, decision-making requires proper quantification of uncertainty and likelihood of events, particularly of extremes. We introduce a probabilistic error correction framework based on a conditional Variational Autoencoder model to map the conditional distribution of observations given the biased model prediction. This method naturally allows for generating large ensembles of adjusted forecasts. We evaluate our model using deterministic and probabilistic metrics and show that the adjusted forecasts are better calibrated, closer to the observational distribution, and have smaller errors than climatological mean adjusted forecasts.
Authors: Yubo Li, Rema Padman
Abstract: Modeling clinical time-series data is hampered by the challenge of capturing latent, time-varying dependencies among features. State-of-the-art approaches often rely on black-box mechanisms or simple aggregation, failing to explicitly model how the influence of one clinical variable propagates through others over time. We propose $\textbf{Chain-of-Influence (CoI)}$, an interpretable deep learning framework that constructs an explicit, time-unfolded graph of feature interactions. CoI leverages a multi-level attention architecture: first, a temporal attention layer identifies critical time points in a patient's record; second, a cross-feature attention layer models the directed influence from features at these time points to subsequent features. This design enables the tracing of influence pathways, providing a granular audit trail that shows how any feature at any time contributes to the final prediction, both directly and through its influence on other variables. We evaluate CoI on mortality and disease progression tasks using the MIMIC-IV dataset and a private chronic kidney disease cohort. Our framework significantly outperforms existing methods in predictive accuracy. More importantly, through case studies, we show that CoI can uncover clinically meaningful, patient-specific patterns of disease progression that are opaque to other models, offering unprecedented transparency into the temporal and cross-feature dependencies that inform clinical decision-making.
Authors: Hung Phan, Son Le Vu, Ali Jannesari
Abstract: Despite recent progress of large language models (LLMs) on code translation among mainstream languages, translating PyTorch to JAX remains nontrivial. The two libraries, though both embedded in Python, differ in core design, execution semantics, and ecosystem maturity; JAX is newer and comparatively underrepresented in public code, and parallel PyTorch--JAX corpora are limited. Weaknesses in existing evaluation further complicate cross-framework benchmarking. We present T2J, a prompt-augmentation framework that strengthens LLM-based PyTorch to JAX translation. Our pipeline (i) assembles two PyTorch sources -- the problem-solving set from TorchLeet (Aroori & Chien, 2025) and a GitHub-derived set from CodeParrot (Wolf et al., 2022) -- and uses GPT-4o-mini to produce initial JAX drafts; (ii) engages two professional developers to iteratively repair those drafts until functional equivalence, yielding a curated fixed-bug dataset of common errors and patches; and (iii) constructs augmented prompts that inject structured guidance from these fixes to steer lightweight LLMs (e.g., GPT-4o-mini). We also introduce three metrics tailored to PyTorch to JAX: T2J CodeTrans Score, T2J FixCost Score (an LLM-based estimate of bug-fix effort), and T2J Comparison Score (LLM-as-judge). Empirically, T2J raises GPT-4o-mini performance by up to 10% on CodeBLEU, 50% on T2J FixCost Score, 1.33 points on T2J CodeTrans Score (0--4 scale), and 100% on T2J Comparison Score; moreover, the generated code runs up to 2.5x faster than the baseline.
Authors: Kelvin Kan, Xingjian Li, Benjamin J. Zhang, Tuhin Sahai, Stanley Osher, Krishna Kumar, Markos A. Katsoulakis
Abstract: Despite their widespread use, training deep Transformers can be unstable. Layer normalization, a standard component, improves training stability, but its placement has often been ad-hoc. In this paper, we conduct a principled study on the forward (hidden states) and backward (gradient) stability of Transformers under different layer normalization placements. Our theory provides key insights into the training dynamics: whether training drives Transformers toward regular solutions or pathological behaviors. For forward stability, we derive explicit bounds on the growth of hidden states in trained Transformers. For backward stability, we analyze how layer normalization affects the backpropagation of gradients, thereby explaining the training dynamics of each layer normalization placement. Our analysis also guides the scaling of residual steps in Transformer blocks, where appropriate choices can further improve stability and performance. Our numerical results corroborate our theoretical findings. Beyond these results, our framework provides a principled way to sanity-check the stability of Transformers under new architectural modifications, offering guidance for future designs.
Authors: Aditya Malusare, Vineet Punyamoorty, Vaneet Aggarwal
Abstract: Recent breakthroughs in generative modeling have demonstrated remarkable capabilities in molecular generation, yet the integration of comprehensive biomedical knowledge into these models has remained an untapped frontier. In this study, we introduce K-DREAM (Knowledge-Driven Embedding-Augmented Model), a novel framework that leverages knowledge graphs to augment diffusion-based generative models for drug discovery. By embedding structured information from large-scale knowledge graphs, K-DREAM directs molecular generation toward candidates with higher biological relevance and therapeutic suitability. This integration ensures that the generated molecules are aligned with specific therapeutic targets, moving beyond traditional heuristic-driven approaches. In targeted drug design tasks, K-DREAM generates drug candidates with improved binding affinities and predicted efficacy, surpassing current state-of-the-art generative models. It also demonstrates flexibility by producing molecules designed for multiple targets, enabling applications to complex disease mechanisms. These results highlight the utility of knowledge-enhanced generative models in rational drug design and their relevance to practical therapeutic development.
Authors: Manuel Segura, Pere Verg\'es, Richard Ky, Ramesh Arangott, Angela Kristine Garcia, Thang Dihn Trong, Makoto Hyodo, Alexandru Nicolau, Tony Givargis, Sergio Gago-Masague
Abstract: Excess alcohol consumption leads to serious health risks and severe consequences for both individuals and their communities. To advocate for healthier drinking habits, we introduce a groundbreaking mobile smartwatch application approach to just-in-time interventions for intoxication warnings. In this work, we have created a dataset gathering TAC, accelerometer, gyroscope, and heart rate data from the participants during a period of three weeks. This is the first study to combine accelerometer, gyroscope, and heart rate smartwatch data collected over an extended monitoring period to classify intoxication levels. Previous research had used limited smartphone motion data and conventional machine learning (ML) algorithms to classify heavy drinking episodes; in this work, we use smartwatch data and perform a thorough evaluation of different state-of-the-art classifiers such as the Transformer, Bidirectional Long Short-Term Memory (bi-LSTM), Gated Recurrent Unit (GRU), One-Dimensional Convolutional Neural Networks (1D-CNN), and Hyperdimensional Computing (HDC). We have compared performance metrics for the algorithms and assessed their efficiency on resource-constrained environments like mobile hardware. The HDC model achieved the best balance between accuracy and efficiency, demonstrating its practicality for smartwatch-based applications.
Authors: Nikola Surjanovic, Alexandre Bouchard-C\^ot\'e, Trevor Campbell
Abstract: The performance of gradient-based optimization methods, such as standard gradient descent (GD), greatly depends on the choice of learning rate. However, it can require a non-trivial amount of user tuning effort to select an appropriate learning rate schedule. When such methods appear as inner loops of other algorithms, expecting the user to tune the learning rates may be impractical. To address this, we introduce AutoGD: a gradient descent method that automatically determines whether to increase or decrease the learning rate at a given iteration. We establish the convergence of AutoGD, and show that we can recover the optimal rate of GD (up to a constant) for a broad class of functions without knowledge of smoothness constants. Experiments on a variety of traditional problems and variational inference optimization tasks demonstrate strong performance of the method, along with its extensions to AutoBFGS and AutoLBFGS.
Authors: Naman Agrawal
Abstract: This study explores the design and application of Complex-Valued Convolutional Neural Networks (CVCNNs) in audio signal processing, with a focus on preserving and utilizing phase information often neglected in real-valued networks. We begin by presenting the foundational theoretical concepts of CVCNNs, including complex convolutions, pooling layers, Wirtinger-based differentiation, and various complex-valued activation functions. These are complemented by critical adaptations of training techniques, including complex batch normalization and weight initialization schemes, to ensure stability in training dynamics. Empirical evaluations are conducted across three stages. First, CVCNNs are benchmarked on standard image datasets, where they demonstrate competitive performance with real-valued CNNs, even under synthetic complex perturbations. Although our focus is audio signal processing, we first evaluate CVCNNs on image datasets to establish baseline performance and validate training stability before applying them to audio tasks. In the second experiment, we focus on audio classification using Mel-Frequency Cepstral Coefficients (MFCCs). CVCNNs trained on real-valued MFCCs slightly outperform real CNNs, while preserving phase in input workflows highlights challenges in exploiting phase without architectural modifications. Finally, a third experiment introduces GNNs to model phase information via edge weighting, where the inclusion of phase yields measurable gains in both binary and multi-class genre classification. These results underscore the expressive capacity of complex-valued architectures and confirm phase as a meaningful and exploitable feature in audio processing applications. While current methods show promise, especially with activations like cardioid, future advances in phase-aware design will be essential to leverage the potential of complex representations in neural networks.
Authors: Ching Chang, Ming-Chih Lo, Chiao-Tung Chan, Wen-Chih Peng, Tien-Fu Chen
Abstract: Web platforms, mobile applications, and connected sensing systems generate multivariate time series with states at multiple levels of granularity, from coarse regimes to fine-grained events. Effective segmentation in these settings requires integrating across granularities while supporting iterative refinement through sparse prompt signals, which provide a compact mechanism for injecting domain knowledge. Yet existing prompting approaches for time series segmentation operate only within local contexts, so the effect of a prompt quickly fades and cannot guide predictions across the entire sequence. To overcome this limitation, we propose MemPromptTSS, a framework for iterative multi-granularity segmentation that introduces persistent prompt memory. A memory encoder transforms prompts and their surrounding subsequences into memory tokens stored in a bank. This persistent memory enables each new prediction to condition not only on local cues but also on all prompts accumulated across iterations, ensuring their influence persists across the entire sequence. Experiments on six datasets covering wearable sensing and industrial monitoring show that MemPromptTSS achieves 23% and 85% accuracy improvements over the best baseline in single- and multi-granularity segmentation under single iteration inference, and provides stronger refinement in iterative inference with average per-iteration gains of 2.66 percentage points compared to 1.19 for PromptTSS. These results highlight the importance of persistent memory for prompt-guided segmentation, establishing MemPromptTSS as a practical and effective framework for real-world applications.
Authors: Payel Bhattacharjee, Fengwei Tian, Meiyu Zhong, Guangyi Zhang, Osvaldo Simeone, Ravi Tandon
Abstract: Edge-cloud speculative decoding (SD) accelerates inference by having a cloud-based large language model (LLM) that verifies draft tokens generated by a resource-constrained small language model (SLM) at the edge. A central bottleneck is the limited bandwidth of the edge-cloud link, which necessitates efficient compression of draft token distributions. We first derive an information-theoretic bound that decomposes the token rejection rate into contributions from SLM-LLM distribution mismatch and from quantization distortion. Guided by this analysis, we propose the Sparse Quantize-and-Sample SD (SQS-SD) framework, which exploits distributional sparsity through structured sparsification and lattice-based quantization. Within this framework, K-SQS applies fixed top-K truncation, while C-SQS adaptively adjusts the retained token set via online conformal prediction to ensure bounded deviation from the dense distribution. Empirical results confirm that both approaches improve end-to-end latency and rejection rates in complimentary operating regimes.
Authors: Jun Yin, Runcheng Cai, Shiliang Sun
Abstract: Incomplete multi-view spectral clustering generalizes spectral clustering to multi-view data and simultaneously realizes the partition of multi-view data with missing views. For this category of method, K-means algorithm needs to be performed to generate the clustering result after the procedure of feature extraction. More importantly, the connectivity of samples reflected by the clustering result is not utilized effectively. To overcome these defects, we propose Clustering Result re-Guided Incomplete Multi-view Spectral Clustering (CRG_IMSC). CRG_IMSC obtains the clustering result directly by imposing nonnegative constraint to the extracted feature. Furthermore, it constructs the connectivity matrix according to the result of spectral clustering, and minimizes the residual of self-representation based on the connectivity matrix. A novel iterative algorithm using multiplicative update is developed to solve the optimization problem of CRG_IMSC, and its convergence is proved rigorously. On benchmark datasets, for multi-view data, CRG_IMSC performs better than state-of-the-art clustering methods, and the experimental results also demonstrate the convergence of CRG_IMSC algorithm.
Authors: Shuo Zhao, Yongqiang Li, Yu Feng, Zhongsheng Hou, Yuanjing Feng
Abstract: State aggregation aims to reduce the computational complexity of solving Markov Decision Processes (MDPs) while preserving the performance of the original system. A fundamental challenge lies in optimizing policies within the aggregated, or abstract, space such that the performance remains optimal in the ground MDP-a property referred to as {"}optimal policy equivalence {"}. This paper presents an abstraction framework based on the notion of homomorphism, in which two Markov chains are deemed homomorphic if their value functions exhibit a linear relationship. Within this theoretical framework, we establish a sufficient condition for the equivalence of optimal policy. We further examine scenarios where the sufficient condition is not met and derive an upper bound on the approximation error and a performance lower bound for the objective function under the ground MDP. We propose Homomorphic Policy Gradient (HPG), which guarantees optimal policy equivalence under sufficient conditions, and its extension, Error-Bounded HPG (EBHPG), which balances computational efficiency and the performance loss induced by aggregation. In the experiments, we validated the theoretical results and conducted comparative evaluations against seven algorithms.
Authors: Mingyang Lyu, Yinqian Sun, Erliang Lin, Huangrui Li, Ruolin Chen, Feifei Zhao, Yi Zeng
Abstract: Vision-Language-Action (VLA) models such as OpenVLA, Octo, and $\pi_0$ have shown strong generalization by leveraging large-scale demonstrations, yet their performance is still fundamentally constrained by the quality and coverage of supervised data. Reinforcement learning (RL) provides a promising path for improving and fine-tuning VLAs through online interaction. However, conventional policy gradient methods are computationally infeasible in the context of flow-matching based models due to the intractability of the importance sampling process, which requires explicit computation of policy ratios. To overcome this limitation, we propose Flow Policy Optimization (FPO) algorithm, which reformulates importance sampling by leveraging per-sample changes in the conditional flow-matching objective. Furthermore, FPO achieves stable and scalable online reinforcement fine-tuning of the $\pi_0$ model by integrating structure-aware credit assignment to enhance gradient efficiency, clipped surrogate objectives to stabilize optimization, multi-step latent exploration to encourage diverse policy updates, and a Q-ensemble mechanism to provide robust value estimation. We evaluate FPO on the LIBERO benchmark and the ALOHA simulation task against supervised, preference-aligned, diffusion-based, autoregressive online RL, and $\pi_0$-FAST baselines, observing consistent improvements over the imitation prior and strong alternatives with stable learning under sparse rewards. In addition, ablation studies and analyses of the latent space dynamics further highlight the contributions of individual components within FPO, validating the effectiveness of the proposed computational modules and the stable convergence of the conditional flow-matching objective during online RL.
Authors: Frida Cantu, Salomon Ibarra, Arturo Gonzales, Jesus Barreda, Chenang Liu, Li Zhang
Abstract: Online sensing plays an important role in advancing modern manufacturing. The real-time sensor signals, which can be stored as high-resolution time series data, contain rich information about the operation status. One of its popular usages is online process monitoring, which can be achieved by effective anomaly detection from the sensor signals. However, most existing approaches either heavily rely on labeled data for training supervised models, or are designed to detect only extreme outliers, thus are ineffective at identifying subtle semantic off-track anomalies to capture where new regimes or unexpected routines start. To address this challenge, we propose an matrix profile-based unsupervised anomaly detection algorithm that captures fabrication cycle similarity and performs semantic segmentation to precisely identify the onset of defect anomalies in additive manufacturing. The effectiveness of the proposed method is demonstrated by the experiments on real-world sensor data.
Authors: Kartikeya Aneja, Nagender Aneja, Murat Kantarcioglu
Abstract: Software systems can be represented as graphs, capturing dependencies among functions and processes. An interesting aspect of software systems is that they can be represented as different types of graphs, depending on the extraction goals and priorities. For example, function calls within the software can be captured to create function call graphs, which highlight the relationships between functions and their dependencies. Alternatively, the processes spawned by the software can be modeled to generate process interaction graphs, which focus on runtime behavior and inter-process communication. While these graph representations are related, each captures a distinct perspective of the system, providing complementary insights into its structure and operation. While previous studies have leveraged graph neural networks (GNNs) to analyze software behaviors, most of this work has focused on a single type of graph representation. The joint modeling of both function call graphs and process interaction graphs remains largely underexplored, leaving opportunities for deeper, multi-perspective analysis of software systems. This paper presents a pipeline for constructing and training Function Call Graphs (FCGs) and Process Call Graphs (PCGs) and learning joint embeddings. We demonstrate that joint embeddings outperform a single-graph model. In this paper, we propose GeminiNet, a unified neural network approach that learns joint embeddings from both FCGs and PCGs. We construct a new dataset of 635 Windows executables (318 malicious and 317 benign), extracting FCGs via Ghidra and PCGs via Any.Run sandbox. GeminiNet employs dual graph convolutional branches with an adaptive gating mechanism that balances contributions from static and dynamic views.
Authors: Bach C. Le, Tung V. Dao, Binh T. Nguyen, Hong T. M. Chu
Abstract: Wasserstein distributionally robust optimization (WDRO) provides a framework for adversarial robustness, yet existing methods based on global Lipschitz continuity or strong duality often yield loose upper bounds or require prohibitive computation. In this work, we address these limitations by introducing a primal approach and adopting a notion of exact Lipschitz certificate to tighten this upper bound of WDRO. In addition, we propose a novel Wasserstein distributional attack (WDA) that directly constructs a candidate for the worst-case distribution. Compared to existing point-wise attack and its variants, our WDA offers greater flexibility in the number and location of attack points. In particular, by leveraging the piecewise-affine structure of ReLU networks on their activation cells, our approach results in an exact tractable characterization of the corresponding WDRO problem. Extensive evaluations demonstrate that our method achieves competitive robust accuracy against state-of-the-art baselines while offering tighter certificates than existing methods. Our code is available at https://github.com/OLab-Repo/WDA
Authors: Jiahui Hong, Siqing Li, Muqing Jian, Luming Yang
Abstract: Existing EEG recognition models suffer from poor cross-paradigm generalization due to dataset-specific constraints and individual variability. To overcome these limitations, we propose BITE (Bidirectional Time-Freq Pyramid Network), an end-to-end unified architecture featuring robust multistream synergy, pyramid time-frequency attention (PTFA), and bidirectional adaptive convolutions. The framework uniquely integrates: 1) Aligned time-frequency streams maintaining temporal synchronization with STFT for bidirectional modeling, 2) PTFA-based multi-scale feature enhancement amplifying critical neural patterns, 3) BiTCN with learnable fusion capturing forward/backward neural dynamics. Demonstrating enhanced robustness, BITE achieves state-of-the-art performance across four divergent paradigms (BCICIV-2A/2B, HGD, SD-SSVEP), excelling in both within-subject accuracy and cross-subject generalization. As a unified architecture, it combines robust performance across both MI and SSVEP tasks with exceptional computational efficiency. Our work validates that paradigm-aligned spectral-temporal processing is essential for reliable BCI systems. Just as its name suggests, BITE "takes a bite out of EEG." The source code is available at https://github.com/cindy-hong/BiteEEG.
Authors: Yinghui He, Abhishek Panigrahi, Yong Lin, Sanjeev Arora
Abstract: Language models often show little to no improvement (i.e., "saturation") when trained via vanilla supervised fine-tuning (SFT) on data similar to what they saw in their training set (e.g., MATH). We introduce a new fine-tuning strategy, STAT, to train such a student model by using the metacognition ability of a stronger large language model (LLM) as the teacher. The teacher uses the task dataset to create a list of skills needed for the task, and then labels each data point with its required skills (Didolkar et al., 2024). By monitoring the student's answers, the teacher creates a Missing-Skill-Profile for the student, tracking how often they failed to apply each skill in their responses. We use this idea to build a modified training set in one of two ways. In STAT-Sel, the teacher uses an existing set of training examples but adaptively reweights them according to the Missing-Skill-Profile. In STAT-Syn, the teacher synthesizes additional examples involving missing skills. Across extensive experiments on Llama and Qwen models, our methods yield improvements of up to 7.5% on MATH, whereas SFT provides only limited gains. Furthermore, STAT enhances performance on out-of-distribution benchmarks (e.g., AIME24/25, AMC23, etc.) by an average of 4.6%. Crucially, we find that STAT is complementary to RL via GRPO (Shao et al., 2024): after the model is improved using STAT to address skill gaps, GRPO continues to add further gains. We conclude that skill-targeted adaptive training should broadly improve current training pipelines. Our code is available at: https://github.com/princeton-pli/STAT.
Authors: Yang Li, Ruichen Zhang, Yinqiu Liu, Guangyuan Liu, Dusit Niyato, Abbas Jamalipour, Xianbin Wang, Dong In Kim
Abstract: The rapid advancement of Low-Altitude Economy Networks (LAENets) has enabled a variety of applications, including aerial surveillance, environmental sensing, and semantic data collection. To support these scenarios, unmanned aerial vehicles (UAVs) equipped with onboard vision-language models (VLMs) offer a promising solution for real-time multimodal inference. However, ensuring both inference accuracy and communication efficiency remains a significant challenge due to limited onboard resources and dynamic network conditions. In this paper, we first propose a UAV-enabled LAENet system model that jointly captures UAV mobility, user-UAV communication, and the onboard visual question answering (VQA) pipeline. Based on this model, we formulate a mixed-integer non-convex optimization problem to minimize task latency and power consumption under user-specific accuracy constraints. To solve the problem, we design a hierarchical optimization framework composed of two parts: (i) an Alternating Resolution and Power Optimization (ARPO) algorithm for resource allocation under accuracy constraints, and (ii) a Large Language Model-augmented Reinforcement Learning Approach (LLaRA) for adaptive UAV trajectory optimization. The large language model (LLM) serves as an expert in refining reward design of reinforcement learning in an offline fashion, introducing no additional latency in real-time decision-making. Numerical results demonstrate the efficacy of our proposed framework in improving inference performance and communication efficiency under dynamic LAENet conditions.
Authors: Ruoxing Yang
Abstract: We introduce PPOPT - Proximal Policy Optimization using Pretraining, a novel, model-free deep-reinforcement-learning algorithm that leverages pretraining to achieve high training efficiency and stability on very small training samples in physics-based environments. Reinforcement learning agents typically rely on large samples of environment interactions to learn a policy. However, frequent interactions with a (computer-simulated) environment may incur high computational costs, especially when the environment is complex. Our main innovation is a new policy neural network architecture that consists of a pretrained neural network middle section sandwiched between two fully-connected networks. Pretraining part of the network on a different environment with similar physics will help the agent learn the target environment with high efficiency because it will leverage a general understanding of the transferrable physics characteristics from the pretraining environment. We demonstrate that PPOPT outperforms baseline classic PPO on small training samples both in terms of rewards gained and general training stability. While PPOPT underperforms against classic model-based methods such as DYNA DDPG, the model-free nature of PPOPT allows it to train in significantly less time than its model-based counterparts. Finally, we present our implementation of PPOPT as open-source software, available at github.com/Davidrxyang/PPOPT.
Authors: Sahng-Min Han, Minjae Kim, Jinho Cha, Se-woon Choe, Eunchan Daniel Cha, Jungwon Choi, Kyudong Jung
Abstract: Deep learning in small and imbalanced biomedical datasets remains fundamentally constrained by unstable optimization and poor generalization. We present the first biomedical implementation of FOSSIL (Flexible Optimization via Sample-Sensitive Importance Learning), a regret-minimizing weighting framework that adaptively balances training emphasis according to sample difficulty. Using softmax-based uncertainty as a continuous measure of difficulty, we construct a four-stage curriculum (Easy-Very Hard) and integrate FOSSIL into both convolutional and transformer-based architectures for Mpox skin lesion diagnosis. Across all settings, FOSSIL substantially improves discrimination (AUC = 0.9573), calibration (ECE = 0.053), and robustness under real-world perturbations, outperforming conventional baselines without metadata, manual curation, or synthetic augmentation. The results position FOSSIL as a generalizable, data-efficient, and interpretable framework for difficulty-aware learning in medical imaging under data scarcity.
Authors: Lei Gao, Shihong Huang, Shengjie Wang, Hong Ma, Feng Zhang, Hengda Bao, Qichang Chen, Weihua Zhou
Abstract: The three-dimensional bin packing problem (3D-BPP) is widely applied in logistics and warehousing. Existing learning-based approaches often neglect practical stability-related constraints and exhibit limitations in generalizing across diverse bin dimensions. To address these limitations, we propose a novel deep reinforcement learning framework, One4Many-StablePacker (O4M-SP). The primary advantage of O4M-SP is its ability to handle various bin dimensions in a single training process while incorporating support and weight constraints common in practice. Our training method introduces two innovative mechanisms. First, it employs a weighted reward function that integrates loading rate and a new height difference metric for packing layouts, promoting improved bin utilization through flatter packing configurations. Second, it combines clipped policy gradient optimization with a tailored policy drifting method to mitigate policy entropy collapse, encouraging exploration at critical decision nodes during packing to avoid suboptimal solutions. Extensive experiments demonstrate that O4M-SP generalizes successfully across diverse bin dimensions and significantly outperforms baseline methods. Furthermore, O4M-SP exhibits strong practical applicability by effectively addressing packing scenarios with stability constraints.
Authors: Hehe Fan, Yi Yang, Mohan Kankanhalli, Fei Wu
Abstract: When modeling a given type of data, we consider it to involve two key aspects: 1) identifying relevant elements (e.g., image pixels or textual words) to a central element, as in a convolutional receptive field, or to a query element, as in self-attention, and 2) encoding these tokens effectively. Self-attention can adaptively identify these elements but relies on absolute positional embedding for structural representation learning. In contrast, convolution encodes elements in a relative manner, yet their fixed kernel size limits their ability to adaptively select the relevant elements. In this paper, we introduce Translution, an operation that unifies the adaptive identification capability of self-attention and the relative encoding advantage of convolution. However, this integration leads to a substantial increase in the number of parameters, exceeding most currently available computational resources. Therefore, we propose a lightweight variant of Translution, named {\alpha}-Translution. Experiments on computer vision and natural language processing tasks show that Translution (including {\alpha}-Translution) achieves superior accuracy compared to self-attention. The code is available at https://github.com/hehefan/Translution.
Authors: Jinyang Zhang, Yue Fang, Hongxin Ding, Weibin Liao, Muyang Ye, Xu Chu, Junfeng Zhao, Yasha Wang
Abstract: Conventional continual pretraining (CPT) for large language model (LLM) domain adaptation often suffers from catastrophic forgetting and limited domain capacity. Existing strategies adopt layer expansion, introducing additional trainable parameters to accommodate new knowledge. However, the uniform expansion and updates still entangle general and domain learning, undermining its effectiveness. Our pilot studies reveal that LLMs exhibit functional specialization, where layers and units differentially encode general-critical capabilities, suggesting that parameter expansion and optimization should be function-aware. We then propose ADEPT, Adaptive Expansion and Dynamic Decoupled Tuning for continual pretraining, a two-stage framework for domain-adaptive CPT. ADEPT first performs General-Competence Guided Selective Layer Expansion, duplicating layers least critical for the general domain to increase representational capacity while minimizing interference with general knowledge. It then applies Adaptive Unit-Wise Decoupled Tuning, disentangling parameter units within expanded layers according to their general-domain importance and assigning asymmetric learning rates to balance knowledge injection and retention. Experiments on mathematical and medical benchmarks show that ADEPT outperforms full-parameter CPT by up to 5.76% on the general domain and 5.58% on the target domain with only 15% of parameters tuned and less than 50% training time. Ablation studies, theoretical analysis, and extended investigations further demonstrate the necessity of targeted expansion and decoupled optimization, providing new principles for efficient and robust domain-adaptive CPT. Our code is open-sourced at https://github.com/PuppyKnightUniversity/ADEPT
Authors: Salomon Ibarra, Frida Cantu, Kaixiong Zhou, Li Zhang
Abstract: Deep learning models have attracted lots of research attention in time series classification (TSC) task in the past two decades. Recently, deep neural networks (DNN) have surpassed classical distance-based methods and achieved state-of-the-art performance. Despite their promising performance, deep neural networks (DNNs) have been shown to rely on spurious correlations present in the training data, which can hinder generalization. For instance, a model might incorrectly associate the presence of grass with the label ``cat" if the training set have majority of cats lying in grassy backgrounds. However, the shortcut behavior of DNNs in time series remain under-explored. Most existing shortcut work are relying on external attributes such as gender, patients group, instead of focus on the internal bias behavior in time series models. In this paper, we take the first step to investigate and establish point-based shortcut learning behavior in deep learning time series classification. We further propose a simple detection method based on other class to detect shortcut occurs without relying on test data or clean training classes. We test our proposed method in UCR time series datasets.
Authors: Zixuan Gong, Jiaye Teng, Yong Liu
Abstract: While looped transformers (termed as Looped-Attn) often outperform standard transformers (termed as Single-Attn) on complex reasoning tasks, the theoretical basis for this advantage remains underexplored. In this paper, we explain this phenomenon through the lens of loss landscape geometry, inspired by empirical observations of their distinct dynamics at both sample and Hessian levels. To formalize this, we extend the River-Valley landscape model by distinguishing between U-shaped valleys (flat) and V-shaped valleys (steep). Based on empirical observations, we conjecture that the recursive architecture of Looped-Attn induces a landscape-level inductive bias towards River-V-Valley. Theoretical derivations based on this inductive bias guarantee a better loss convergence along the river due to valley hopping, and further encourage learning about complex patterns compared to the River-U-Valley induced by Single-Attn. Building on this insight, we propose SHIFT (Staged HIerarchical Framework for Progressive Training), a staged training framework that accelerates the training process of Looped-Attn while achieving comparable performances.
Authors: Martin Carrasco, Caio Deberaldini Netto, Vahan A. Martirosyan, Aneeqa Mehrab, Ehimare Okoyomon, Caterina Graziani
Abstract: The expressive power of graph neural networks (GNNs) is typically understood through their correspondence with graph isomorphism tests such as the Weisfeiler-Leman (WL) hierarchy. While more expressive GNNs can distinguish a richer set of graphs, they are also observed to suffer from higher generalization error. This work provides a theoretical explanation for this trade-off by linking expressivity and generalization through the lens of coloring algorithms. Specifically, we show that the number of equivalence classes induced by WL colorings directly bounds the GNNs Rademacher complexity -- a key data-dependent measure of generalization. Our analysis reveals that greater expressivity leads to higher complexity and thus weaker generalization guarantees. Furthermore, we prove that the Rademacher complexity is stable under perturbations in the color counts across different samples, ensuring robustness to sampling variability across datasets. Importantly, our framework is not restricted to message-passing GNNs or 1-WL, but extends to arbitrary GNN architectures and expressivity measures that partition graphs into equivalence classes. These results unify the study of expressivity and generalization in GNNs, providing a principled understanding of why increasing expressive power often comes at the cost of generalization.
Authors: Guilin Li, Yun Zhang, Xiuyuan Chen, Chengqi Li, Bo Wang, Linghe Kong, Wenjia Wang, Weiran Huang, Matthias Hwai Yong Tan
Abstract: Large language models (LLMs) have shown that generative pretraining can distill vast world knowledge into compact token representations. While LLMs encapsulate extensive world knowledge, they remain limited in modeling the behavioral knowledge contained within user interaction histories. User behavior forms a distinct modality, where each action, defined by multi-dimensional attributes such as time, context, and transaction type, constitutes a behavioral token. Modeling these high-cardinality sequences is challenging, and discriminative models often falter under limited supervision. To bridge this gap, we extend generative pretraining to user behavior, learning transferable representations from unlabeled behavioral data analogous to how LLMs learn from text. We present PANTHER, a hybrid generative-discriminative framework that unifies user behavior pretraining and downstream adaptation, enabling large-scale sequential user representation learning and real-time inference. PANTHER introduces: (1) Structured Tokenization to compress multi-dimensional transaction attributes into an interpretable vocabulary; (2) Sequence Pattern Recognition Module (SPRM) for modeling periodic transaction motifs; (3) a Unified User-Profile Embedding that fuses static demographics with dynamic transaction histories; and (4) Real-time scalability enabled by offline caching of pretrained embeddings for millisecond-level inference. Fully deployed and operational online at WeChat Pay, PANTHER delivers a 25.6 percent boost in next-transaction prediction HitRate@1 and a 38.6 percent relative improvement in fraud detection recall over baselines. Cross-domain evaluations on public benchmarks show strong generalization, achieving up to 21 percent HitRate@1 gains over transformer baselines, establishing PANTHER as a scalable, high-performance framework for industrial sequential user behavior modeling.
Authors: Yanping Zheng, Zhewei Wei, Frank de Hoog, Xu Chen, Hongteng Xu, Yuhang Ye, Jiadeng Huang
Abstract: Graph Neural Networks (GNNs) have demonstrated remarkable effectiveness in recommendation systems. However, conventional graph-based recommenders, such as LightGCN, require maintaining embeddings of size $d$ for each node, resulting in a parameter complexity of $\mathcal{O}(n \times d)$, where $n$ represents the total number of users and items. This scaling pattern poses significant challenges for deployment on large-scale graphs encountered in real-world applications. To address this scalability limitation, we propose \textbf{Lighter-X}, an efficient and modular framework that can be seamlessly integrated with existing GNN-based recommender architectures. Our approach substantially reduces both parameter size and computational complexity while preserving the theoretical guarantees and empirical performance of the base models, thereby enabling practical deployment at scale. Specifically, we analyze the original structure and inherent redundancy in their parameters, identifying opportunities for optimization. Based on this insight, we propose an efficient compression scheme for the sparse adjacency structure and high-dimensional embedding matrices, achieving a parameter complexity of $\mathcal{O}(h \times d)$, where $h \ll n$. Furthermore, the model is optimized through a decoupled framework, reducing computational complexity during the training process and enhancing scalability. Extensive experiments demonstrate that Lighter-X achieves comparable performance to baseline models with significantly fewer parameters. In particular, on large-scale interaction graphs with millions of edges, we are able to attain even better results with only 1\% of the parameter over LightGCN.
Authors: Xing Wei, Chunchun Chen, Rui Fan, Xiaofeng Cao, Sourav Medya, Wei Ye
Abstract: Graph neural networks (GNNs) can efficiently process text-attributed graphs (TAGs) due to their message-passing mechanisms, but their training heavily relies on the human-annotated labels. Moreover, the complex and diverse local topologies of nodes of real-world TAGs make it challenging for a single mechanism to handle. Large language models (LLMs) perform well in zero-/few-shot learning on TAGs but suffer from a scalability challenge. Therefore, we propose a preference-driven knowledge distillation (PKD) framework to synergize the complementary strengths of LLMs and various GNNs for few-shot node classification. Specifically, we develop a GNN-preference-driven node selector that effectively promotes prediction distillation from LLMs to teacher GNNs. To further tackle nodes' intricate local topologies, we develop a node-preference-driven GNN selector that identifies the most suitable teacher GNN for each node, thereby facilitating tailored knowledge distillation from teacher GNNs to the student GNN. Extensive experiments validate the efficacy of our proposed framework in few-shot node classification on real-world TAGs.
Authors: Bin Yang, Qiuyu Leng, Jun Zeng, Zhenhua Wu
Abstract: Retrieval-Augmented Generation (RAG) systems suffer from severe time-to-first-token (TTFT) bottlenecks due to long input sequences. Existing KV cache reuse methods face a fundamental trade-off: prefix caching requires identical prefixes that rarely occur in RAG scenarios, while direct precomputation sacrifices quality due to missing inter-chunk attention and repeated attention sinks. Recent methods like APE and CacheBlend partially address these issues but remain inadequate for robust RAG applications. This paper presents CacheClip, a novel framework that achieves both fast TTFT and high generation quality. Our key insight is that small auxiliary LLMs exhibit similar last-layer attention distributions to primary LLMs (the target model for generation), enabling efficient identification of tokens critical for restoring inter-chunk attention, thereby significantly improving response quality on cross-chunk reasoning tasks. CacheClip integrates three techniques: (1) auxiliary-model-guided token selection for selective KV cache recomputation, where the auxiliary model is finetuned to improve selection accuracy, (2) shared prefixes to eliminate redundant attention sinks, and (3) grouping strategy to maintain local coherence during partial KV cache updates. Experiments show CacheClip retains up to 94.8% and 85.0% of full-attention performance on NIAH and LongBench, outperforming APE and CacheBlend by 25.2% and 35.1% on NIAH (with reomp% = 20%). Meanwhile, CacheClip accelerates LLM inference by up to 1.92x in prefill time, providing a practical solution to the efficiency-quality trade-off in RAG systems.
Authors: Lancheng Zou, Shuo Yin, Zehua Pei, Tsung-Yi Ho, Farzan Farnia, Bei Yu
Abstract: Channel permutation is a powerful technique for enhancing the accuracy of N:M sparse models by reordering the channels of weight matrices to prioritize the retention of important weights. However, traditional channel permutation methods rely on handcrafted quality metrics, which often fail to accurately capture the true impact of pruning on model performance. To address this limitation, we propose PermLLM, a novel post-training pruning framework that introduces learnable channel permutation (LCP) for N:M sparsity. LCP leverages Sinkhorn normalization to transform discrete permutation matrices into differentiable soft permutation matrices, enabling end-to-end optimization. Additionally, PermLLM incorporates an efficient block-wise channel permutation strategy, which significantly reduces the number of learnable parameters and computational complexity. PermLLM seamlessly integrates with existing one-shot pruning methods to adaptively optimize channel permutations, effectively mitigating pruning-induced errors. Extensive experiments on the LLaMA series, Qwen, and OPT models demonstrate that PermLLM achieves superior performance in optimizing N:M sparse models. The code is available at https://github.com/lanchengzou/PermLLM.
Authors: Yue Deng, Francisco Santos, Pang-Ning Tan, Lifeng Luo
Abstract: Deep learning based weather forecasting (DLWF) models leverage past weather observations to generate future forecasts, supporting a wide range of downstream tasks, including tropical cyclone (TC) trajectory prediction. In this paper, we investigate their vulnerability to adversarial attacks, where subtle perturbations to the upstream weather forecasts can alter the downstream TC trajectory predictions. Although research on adversarial attacks in DLWF models has grown recently, generating perturbed upstream forecasts that reliably steer downstream output toward attacker-specified trajectories remains a challenge. First, conventional TC detection systems are opaque, non-differentiable black boxes, making standard gradient-based attacks infeasible. Second, the extreme rarity of TC events leads to severe class imbalance problem, making it difficult to develop efficient attack methods that will produce the attacker's target trajectories. Furthermore, maintaining physical consistency in adversarially generated forecasts presents another significant challenge. To overcome these limitations, we propose Cyc-Attack, a novel method that perturbs the upstream forecasts of DLWF models to generate adversarial trajectories. First, we pre-train a differentiable surrogate model to approximate the TC detector's output, enabling the construction of gradient-based attacks. Cyc-Attack also employs skewness-aware loss function with kernel dilation strategy to address the imbalance problem. Finally, a distance-based gradient weighting scheme and regularization are used to constrain the perturbations and eliminate spurious trajectories to ensure the adversarial forecasts are realistic and not easily detectable.
Authors: Cheng He, Xijie Liang, Zengrong Zheng, Patrick P. C. Lee, Xu Huang, Zhaoyi Li, Hong Xie, Defu Lian, Enhong Chen
Abstract: Current approaches for time series forecasting, whether in the time or frequency domain, predominantly use deep learning models based on linear layers or transformers. They often encode time series data in a black-box manner and rely on trial-and-error optimization solely based on forecasting performance, leading to limited interpretability and theoretical understanding. Furthermore, the dynamics in data distribution over time and frequency domains pose a critical challenge to accurate forecasting. We propose FIRE, a unified frequency domain decomposition framework that provides a mathematical abstraction for diverse types of time series, so as to achieve interpretable and robust time series forecasting. FIRE introduces several key innovations: (i) independent modeling of amplitude and phase components, (ii) adaptive learning of weights of frequency basis components, (iii) a targeted loss function, and (iv) a novel training paradigm for sparse data. Extensive experiments demonstrate that FIRE consistently outperforms state-of-the-art models on long-term forecasting benchmarks, achieving superior predictive performance and significantly enhancing interpretability of time series
Authors: Xin Chen, Gillian Dobbie, Xinyu Wang, Feng Liu, Di Wang, Jingfeng Zhang
Abstract: Conditional diffusion models have the generative controllability by incorporating external conditions. However, their performance significantly degrades with noisy conditions, such as corrupted labels in the image generation or unreliable observations or states in the control policy generation. This paper introduces a robust learning framework to address extremely noisy conditions in conditional diffusion models. We empirically demonstrate that existing noise-robust methods fail when the noise level is high. To overcome this, we propose learning pseudo conditions as surrogates for clean conditions and refining pseudo ones progressively via the technique of temporal ensembling. Additionally, we develop a Reverse-time Diffusion Condition (RDC) technique, which diffuses pseudo conditions to reinforce the memorization effect and further facilitate the refinement of the pseudo conditions. Experimentally, our approach achieves state-of-the-art performance across a range of noise levels on both class-conditional image generation and visuomotor policy generation tasks.The code can be accessible via the project page https://robustdiffusionpolicy.github.io
Authors: Zhezheng Hao, Hong Wang, Haoyang Liu, Jian Luo, Jiarui Yu, Hande Dong, Qiang Lin, Can Wang, Jiawei Chen
Abstract: While Reinforcement Learning with Verifiable Rewards (RLVR) can enhance LLM reasoning, its training process poses a critical risk: entropy collapse. This phenomenon is a rapid loss of policy diversity, stemming from the exploration-exploitation imbalance and leading to a lack of generalization. Recent entropy-intervention methods aim to prevent \coloredtext{entropy collapse}, yet their underlying mechanisms remain unclear. In this paper, we conduct a quantitative analysis to reveal token-level entropy changes and how existing entropy intervention methods help avoid entropy collapse. Our findings point out a fundamental limitation of existing methods: they attempt to control entropy dynamics indirectly. By only affecting related factors, such as the advantage signal and generation probability, their effectiveness is inherently limited and could potentially fail. To address this limitation, we introduce an entropy-change-aware reweighting scheme, namely Stabilizing Token-level Entropy-changE via Reweighting (STEER), that adaptively stabilizes entropy dynamics through fine-grained token-level adjustments. Our approach mitigates over-exploitation while fostering robust exploration. Extensive experiments demonstrate that STEER significantly mitigates entropy collapse, stabilizes entropy dynamics, and achieves stronger downstream performance across various mathematical reasoning benchmarks \footnote{Our code is available at https://github.com/zz-haooo/STEER.
Authors: Linfei Li, Fengyi Zhang, Zhong Wang, Lin Zhang, Ying Shen
Abstract: Implicit Neural Representations (INRs) have gained success in various signal processing tasks due to their advantages of continuity and infinite resolution. However, the factors influencing their effectiveness and limitations remain underexplored. To better understand these factors, we leverage insights from Neural Tangent Kernel (NTK) theory to analyze how model architectures (classic MLP and emerging KAN), positional encoding, and nonlinear primitives affect the response to signals of varying frequencies. Building on this analysis, we introduce INR-Bench, the first comprehensive benchmark specifically designed for multimodal INR tasks. It includes 56 variants of Coordinate-MLP models (featuring 4 types of positional encoding and 14 activation functions) and 22 Coordinate-KAN models with distinct basis functions, evaluated across 9 implicit multimodal tasks. These tasks cover both forward and inverse problems, offering a robust platform to highlight the strengths and limitations of different neural models, thereby establishing a solid foundation for future research. The code and dataset are available at https://github.com/lif314/INR-Bench.
Authors: Hong-Kun Zhang, Xin Li, Sikun Yang, Zhihong Xia
Abstract: A novel neural network inspired by Cauchy's integral formula, is proposed for function approximation tasks that include time series forecasting, missing data imputation, etc. Hence, the novel neural network is named CauchyNet. By embedding real-valued data into the complex plane, CauchyNet efficiently captures complex temporal dependencies, surpassing traditional real-valued models in both predictive performance and computational efficiency. Grounded in Cauchy's integral formula and supported by the universal approximation theorem, CauchyNet offers strong theoretical guarantees for function approximation. The architecture incorporates complex-valued activation functions, enabling robust learning from incomplete data while maintaining a compact parameter footprint and reducing computational overhead. Through extensive experiments in diverse domains, including transportation, energy consumption, and epidemiological data, CauchyNet consistently outperforms state-of-the-art models in predictive accuracy, often achieving a 50% lower mean absolute error with fewer parameters. These findings highlight CauchyNet's potential as an effective and efficient tool for data-driven predictive modeling, particularly in resource-constrained and data-scarce environments.
Authors: Jinghao Zhang, Naishan Zheng, Ruilin Li, Dongzhou Cheng, Zheming Liang, Feng Zhao, Jiaqi Wang
Abstract: Reinforcement Learning with Verifiable Rewards (RLVR) has recently emerged as a promising framework for improving reasoning abilities in Large Language Models (LLMs). However, policy optimized with binary verification prone to overlook potential valuable exploration in reasoning trajectory. In view of heavy annotation cost of golden Process Reward Models (PRMs), recent works attempt using auxiliary signals for reward shaping of process tokens, involving entropy and likelihood collected from logit space. In this work, we offer a novel perspective on shaping RLVR with flow rewards derived from latent space, and propose RLFR, where the flow fields of model latents are constructed from either off-policy high-quality data and on-policy rejection sampling data, and the velocity deviations of policy latents within it are quantified to serve as a reward signal. RLFR first demonstrates that a well-established flow field can be a sound environment for reward signal collection, highlighting the expressive latent space is much underexplored. Moreover, RLFR is able to compress any off-policy expert data as reference for constituting reward signals, and we show that the efficient context dependence compressed within the hidden states are utilized, rather than individual token-level denotation for context comprehending. Experiments on both language and multimodal reasoning benchmarks demonstrate the reliability of flow rewards, and suggesting a promising paradigm for reward shaping with auxiliary signals.
Authors: Yida Xiong, Jiameng Chen, Kun Li, Hongzhi Zhang, Xiantao Cai, Wenbin Hu
Abstract: Molecular graph generation is essentially a classification generation problem, aimed at predicting categories of atoms and bonds. Currently, prevailing paradigms such as continuous diffusion models are trained to predict continuous numerical values, treating the training process as a regression task. However, the final generation necessitates a rounding step to convert these predictions back into discrete classification categories, which is intrinsically a classification operation. Given that the rounding operation is not incorporated during training, there exists a significant discrepancy between the model's training objective and its inference procedure. As a consequence, an excessive emphasis on point-wise precision can lead to overfitting and inefficient learning. This occurs because considerable efforts are devoted to capturing intra-bin variations that are ultimately irrelevant to the discrete nature of the task at hand. Such a flaw results in diminished molecular diversity and constrains the model's generalization capabilities. To address this fundamental limitation, we propose GraphBFN, a novel hierarchical coarse-to-fine framework based on Bayesian Flow Networks that operates on the parameters of distributions. By innovatively introducing Cumulative Distribution Function, GraphBFN is capable of calculating the probability of selecting the correct category, thereby unifying the training objective with the sampling rounding operation. We demonstrate that our method achieves superior performance and faster generation, setting new state-of-the-art results on the QM9 and ZINC250k molecular graph generation benchmarks.
Authors: Xuening Wu, Shenqin Yin, Yanlan Kang, Xinhang Zhang, Qianya Xu, Zeping Chen, Wenqiang Zhang
Abstract: Recursive self-modification is increasingly central in AutoML, neural architecture search, and adaptive optimization, yet no existing framework ensures that such changes are made safely. Godel machines offer a principled safeguard by requiring formal proofs of improvement before rewriting code; however, such proofs are unattainable in stochastic, high-dimensional settings. We introduce the Statistical Godel Machine (SGM), the first statistical safety layer for recursive edits. SGM replaces proof-based requirements with statistical confidence tests (e-values, Hoeffding bounds), admitting a modification only when superiority is certified at a chosen confidence level, while allocating a global error budget to bound cumulative risk across rounds.We also propose Confirm-Triggered Harmonic Spending (CTHS), which indexes spending by confirmation events rather than rounds, concentrating the error budget on promising edits while preserving familywise validity.Experiments across supervised learning, reinforcement learning, and black-box optimization validate this role: SGM certifies genuine gains on CIFAR-100, rejects spurious improvement on ImageNet-100, and demonstrates robustness on RL and optimization benchmarks.Together, these results position SGM as foundational infrastructure for continual, risk-aware self-modification in learning systems.Code is available at: https://github.com/gravitywavelet/sgm-anon.
Authors: Ziyu Zhou, Keyan Hu, Ling Zhang, Zhaohui Xue, Yutian Fang, Yusha Zheng
Abstract: Soil moisture (SM) plays a critical role in hydrological and meteorological processes. High-resolution SM can be obtained by combining coarse passive microwave data with fine-scale auxiliary variables. However, the inversion of SM at the temporal scale is hindered by the incompleteness of surface auxiliary factors. To address this issue, first, we introduce validated high temporal resolution ERA5-Land variables into the downscaling process of the low-resolution SMAP SM product. Subsequently, we design a progressive scale convolutional network (PSCNet), at the core of which are two innovative components: a multi-frequency temporal fusion module (MFTF) for capturing temporal dynamics, and a bespoke squeeze-and-excitation (SE) block designed to preserve fine-grained spatial details. Using this approach, we obtained seamless SM products for the Tibetan Plateau (TP) from 2016 to 2018 at 10-km spatial and 3-hour temporal resolution. The experimental results on the TP demonstrated the following: 1) In the satellite product validation, the PSCNet exhibited comparable accuracy and lower error, with a mean R value of 0.881, outperforming other methods. 2) In the in-situ site validation, PSCNet consistently ranked among the top three models for the R metric across all sites, while also showing superior performance in overall error reduction. 3) In the temporal generalization validation, the feasibility of using high-temporal resolution ERA5-Land variables for downscaling was confirmed, as all methods maintained an average relative error within 6\% for the R metric and 2\% for the ubRMSE metric. 4) In the temporal dynamics and visualization validation, PSCNet demonstrated excellent temporal sensitivity and vivid spatial details. Overall, PSCNet provides a promising solution for spatio-temporal downscaling by effectively modeling the intricate spatio-temporal relationships in SM data.
Authors: Jiaxi Zhuang, Yaorui Shi, Jue Hou, Yunong He, Mingwei Ye, Mingjun Xu, Yuming Su, Linfeng Zhang, Linfeng Zhang, Guolin Ke, Hengxing Cai
Abstract: Molecular property prediction is crucial for drug discovery and materials science, yet existing approaches suffer from limited interpretability, poor cross-task generalization, and lack of chemical reasoning capabilities. Traditional machine learning models struggle with task transferability, while specialized molecular language models provide little insight into their decision-making processes. To address these limitations, we propose \textbf{MPPReasoner}, a multimodal large language model that incorporates chemical reasoning for molecular property prediction. Our approach, built upon Qwen2.5-VL-7B-Instruct, integrates molecular images with SMILES strings to enable comprehensive molecular understanding. We develop a two-stage training strategy: supervised fine-tuning (SFT) using 16,000 high-quality reasoning trajectories generated through expert knowledge and multiple teacher models, followed by Reinforcement Learning from Principle-Guided Rewards (RLPGR). RLPGR employs verifiable, rule-based rewards that systematically evaluate chemical principle application, molecular structure analysis, and logical consistency through computational verification. Extensive experiments across 8 datasets demonstrate significant performance improvements, with MPPReasoner outperforming the best baselines by 7.91\% and 4.53\% on in-distribution and out-of-distribution tasks respectively. MPPReasoner exhibits exceptional cross-task generalization and generates chemically sound reasoning paths that provide valuable insights into molecular property analysis, substantially enhancing both interpretability and practical utility for chemists. Code is available at https://anonymous.4open.science/r/MPPReasoner-12687.
Authors: Jingwen Li, Zhiguang Cao, Yaoxin Wu, Tang Liu
Abstract: Exploring machine learning techniques for addressing vehicle routing problems has attracted considerable research attention. To achieve decent and efficient solutions, existing deep models for vehicle routing problems are typically trained and evaluated using instances of a single size. This substantially limits their ability to generalize across different problem sizes and thus hampers their practical applicability. To address the issue, we propose a continual learning based framework that sequentially trains a deep model with instances of ascending problem sizes. Specifically, on the one hand, we design an inter-task regularization scheme to retain the knowledge acquired from smaller problem sizes in the model training on a larger size. On the other hand, we introduce an intra-task regularization scheme to consolidate the model by imitating the latest desirable behaviors during training on each size. Additionally, we exploit the experience replay to revisit instances of formerly trained sizes for mitigating the catastrophic forgetting. Experimental results show that our approach achieves predominantly superior performance across various problem sizes (either seen or unseen in the training), as compared to state-of-the-art deep models including the ones specialized for generalizability enhancement. Meanwhile, the ablation studies on the key designs manifest their synergistic effect in the proposed framework.
Authors: Nikolaus Salvatore, Hao Wang, Qiong Zhang
Abstract: The performance of Large Language Models (LLMs) often degrades when crucial information is in the middle of a long context, a "lost-in-the-middle" phenomenon that mirrors the primacy and recency effects in human memory. We propose that this behavior is not simply a flaw indicative of information loss but an adaptation to different information retrieval demands during pre-training: some tasks require uniform recall across the entire input (a long-term memory demand), while others prioritize the most recent information (a short-term memory demand). Consistent with this view, we show that this U-shaped performance curve emerges when LLMs (GPT-2 and Llama variants) are trained from scratch on two simple human memory paradigms simulating long-term and short-term memory demands. Our analysis reveals that while the recency effect directly aligns with short-term memory demand in the training data, the primacy effect is induced by the uniform long-term memory demand and is additionally influenced by the model's autoregressive properties and the formation of attention sinks. Our main findings from simple human memory paradigms also generalize to a sequence completion task, which more closely resembles the next-token prediction process in LLM pre-training. Together, our findings reveal how information retrieval demands, model architecture, and structural attention dynamics during model training can jointly produce positional bias observed in LLMs.
Authors: Christopher Chiu, Silviu Pitis, Mihaela van der Schaar
Abstract: Clinical reasoning in medicine is a hypothesis-driven process where physicians refine diagnoses from limited information through targeted history, physical examination, and diagnostic investigations. In contrast, current medical benchmarks for large language models (LLMs) primarily assess knowledge recall through single-turn questions, where complete clinical information is provided upfront. To address this gap, we introduce VivaBench, a multi-turn benchmark that evaluates sequential clinical reasoning in LLM agents. Our dataset consists of 1762 physician-curated clinical vignettes structured as interactive scenarios that simulate a (oral) examination in medical training, requiring agents to actively probe for relevant findings, select appropriate investigations, and synthesize information across multiple steps to reach a diagnosis. While current LLMs demonstrate competence in diagnosing conditions from well-described clinical presentations, their performance degrades significantly when required to navigate iterative diagnostic reasoning under uncertainty in our evaluation. Our analysis identified several failure modes that mirror common cognitive errors in clinical practice, including: (1) fixation on initial hypotheses, (2) inappropriate investigation ordering, (3) premature diagnostic closure, and (4) failing to screen for critical conditions. These patterns reveal fundamental limitations in how current LLMs reason and make decisions under uncertainty. Through VivaBench, we provide a standardized benchmark for evaluating conversational medical AI systems for real-world clinical decision support. Beyond medical applications, we contribute to the larger corpus of research on agentic AI by demonstrating how sequential reasoning trajectories can diverge in complex decision-making environments.
Authors: Michael Y. Hu, Benjamin Van Durme, Jacob Andreas, Harsh Jhamtani
Abstract: Language model (LM) agents deployed in novel environments often exhibit poor sample efficiency when learning from sequential interactions. This significantly hinders the usefulness of such agents in environments where interaction is costly (for example, when they interact with humans or reset physical systems). While a number of existing LM agent architectures incorporate various mechanisms for experience storage and reflection, they make limited use of LMs' abilities to directly generate or reason about full counterfactual trajectories. We introduce ECHO (Experience Consolidation via Hindsight Optimization), a prompting framework that adapts hindsight experience replay from reinforcement learning for language model agents. ECHO generates optimized trajectories for alternative goals that could have been achieved during failed attempts, effectively creating synthetic positive examples from unsuccessful interactions. Our approach consists of two components: a hindsight rule that uses the language model itself to identify relevant subgoals and generate optimized trajectories, and an update rule that maintains compressed trajectory representations in memory. We evaluate ECHO on stateful versions of XMiniGrid, a text-based navigation and planning benchmark, and PeopleJoinQA, a collaborative information-gathering enterprise simulation. Across both domains, ECHO outperforms vanilla language agent baselines by up to 80%; in XMiniGrid, it also outperforms a number of sophisticated agent architectures including Reflexion and AWM, demonstrating faster adaptation to novel environments through more effective utilization of past experiences.
Authors: Shiyu Chen (Teresa), Ningyuan (Teresa), Huang, Soledad Villar
Abstract: Graph Neural Networks (GNNs) typically scale with the number of graph edges, making them well suited for sparse graphs but less efficient on dense graphs, such as point clouds or molecular interactions. A common remedy is to sparsify the graph via similarity thresholding or distance pruning, but this forces an arbitrary choice of a single interaction scale and discards crucial information from other scales. To overcome this limitation, we introduce a multi-view graph-tuple framework. Instead of a single graph, our graph-tuple framework partitions the graph into disjoint subgraphs, capturing primary local interactions and weaker, long-range connections. We then learn multi-view representations from the graph-tuple via a heterogeneous message-passing architecture inspired by the theory of non-commuting operators, which we formally prove is strictly more expressive and guarantees a lower oracle risk compared to single-graph message-passing models. We instantiate our framework on two scientific domains: molecular property prediction from feature-scarce Coulomb matrices and cosmological parameter inference from geometric point clouds. On both applications, our multi-view graph-tuple models demonstrate better performance than single-graph baselines, highlighting the power and versatility of our multi-view approach.
Authors: Ali Mirzazadeh, Simon Cadavid, Kaiwen Zha, Chao Li, Sultan Alzahrani, Manar Alawajy, Joshua Korzenik, Kreshnik Hoti, Charles Reynolds, David Mischoulon, John Winkelman, Maurizio Fava, Dina Katabi
Abstract: Antidepressant nonadherence is pervasive, driving relapse, hospitalization, suicide risk, and billions in avoidable costs. Clinicians need tools that detect adherence lapses promptly, yet current methods are either invasive (serum assays, neuroimaging) or proxy-based and inaccurate (pill counts, pharmacy refills). We present the first noninvasive biomarker that detects antidepressant intake from a single night of sleep. A transformer-based model analyzes sleep data from a consumer wearable or contactless wireless sensor to infer antidepressant intake, enabling remote, effortless, daily adherence assessment at home. Across six datasets comprising 62,000 nights from >20,000 participants (1,800 antidepressant users), the biomarker achieved AUROC = 0.84, generalized across drug classes, scaled with dose, and remained robust to concomitant psychotropics. Longitudinal monitoring captured real-world initiation, tapering, and lapses. This approach offers objective, scalable adherence surveillance with potential to improve depression care and outcomes.
Authors: Ziyi Wei, Huaiyang Zhong, Xiaocheng Li
Abstract: We address the problem of multi-group mean estimation, which seeks to allocate a finite sampling budget across multiple groups to obtain uniformly accurate estimates of their means. Unlike classical multi-armed bandits, whose objective is to minimize regret by identifying and exploiting the best arm, the optimal allocation in this setting requires sampling every group on the order of $\Theta(T)$ times. This fundamental distinction makes exploration-free algorithms both natural and effective. Our work makes three contributions. First, we strengthen the existing results on subgaussian variance concentration using the Hanson-Wright inequality and identify a class of strictly subgaussian distributions that yield sharper guarantees. Second, we design exploration-free non-adaptive and adaptive algorithms, and we establish tighter regret bounds than the existing results. Third, we extend the framework to contextual bandit settings, an underexplored direction, and propose algorithms that leverage side information with provable guarantees. Overall, these results position exploration-free allocation as a principled and efficient approach to multi-group mean estimation, with potential applications in experimental design, personalization, and other domains requiring accurate multi-group inference.
Authors: Kenichi Satoh
Abstract: Non-negative matrix factorization (NMF) is widely used for dimensionality reduction and interpretable analysis, but standard formulations are unsupervised and cannot directly exploit class labels. Existing supervised or semi-supervised extensions usually incorporate labels only via penalties or graph constraints, still requiring an external classifier. We propose \textit{NMF-LAB} (Non-negative Matrix Factorization for Label Matrix), which redefines classification as the inverse problem of non-negative matrix tri-factorization (tri-NMF). Unlike joint NMF methods, which reconstruct both features and labels, NMF-LAB directly factorizes the label matrix $Y$ as the observation, while covariates $A$ are treated as given explanatory variables. This yields a direct probabilistic mapping from covariates to labels, distinguishing our method from label-matrix factorization approaches that mainly model label correlations or impute missing labels. Our inversion offers two key advantages: (i) class-membership probabilities are obtained directly from the factorization without a separate classifier, and (ii) covariates, including kernel-based similarities, can be seamlessly integrated to generalize predictions to unseen samples. In addition, unlabeled data can be encoded as uniform distributions, supporting semi-supervised learning. Experiments on diverse datasets, from small-scale benchmarks to the large-scale MNIST dataset, demonstrate that NMF-LAB achieves competitive predictive accuracy, robustness to noisy or incomplete labels, and scalability to high-dimensional problems, while preserving interpretability. By unifying regression and classification within the tri-NMF framework, NMF-LAB provides a novel, probabilistic, and scalable approach to modern classification tasks.
Authors: Jiachi Zhao, Zehong Wang, Yamei Liao, Chuxu Zhang, Yanfang Ye
Abstract: Graph generation is a fundamental problem in graph learning with broad applications across Web-scale systems, knowledge graphs, and scientific domains such as drug and material discovery. Recent approaches leverage diffusion models for step-by-step generation, yet unconditional diffusion offers little control over desired properties, often leading to unstable quality and difficulty in incorporating new objectives. Inference-time guidance methods mitigate these issues by adjusting the sampling process without retraining, but they remain inherently local, heuristic, and limited in controllability. To overcome these limitations, we propose TreeDiff, a Monte Carlo Tree Search (MCTS) guided dual-space diffusion framework for controllable graph generation. TreeDiff is a plug-and-play inference-time method that expands the search space while keeping computation tractable. Specifically, TreeDiff introduces three key designs to make it practical and scalable: (1) a macro-step expansion strategy that groups multiple denoising updates into a single transition, reducing tree depth and enabling long-horizon exploration; (2) a dual-space denoising mechanism that couples efficient latent-space denoising with lightweight discrete correction in graph space, ensuring both scalability and structural fidelity; and (3) a dual-space verifier that predicts long-term rewards from partially denoised graphs, enabling early value estimation and removing the need for full rollouts. Extensive experiments on 2D and 3D molecular generation benchmarks, under both unconditional and conditional settings, demonstrate that TreeDiff achieves state-of-the-art performance. Notably, TreeDiff exhibits favorable inference-time scaling: it continues to improve with additional computation, while existing inference-time methods plateau early under limited resources.
Authors: Sara Dragutinovi\'c, Andrew M. Saxe, Aaditya K. Singh
Abstract: The remarkable ability of transformers to learn new concepts solely by reading examples within the input prompt, termed in-context learning (ICL), is a crucial aspect of intelligent behavior. Here, we focus on understanding the learning algorithm transformers use to learn from context. Existing theoretical work, often based on simplifying assumptions, has primarily focused on linear self-attention and continuous regression tasks, finding transformers can learn in-context by gradient descent. Given that transformers are typically trained on discrete and complex tasks, we bridge the gap from this existing work to the setting of classification, with non-linear (importantly, softmax) activation. We find that transformers still learn to do gradient descent in-context, though on functionals in the kernel feature space and with a context-adaptive learning rate in the case of softmax transformer. These theoretical findings suggest a greater adaptability to context for softmax attention, which we empirically verify and study through ablations. Overall, we hope this enhances theoretical understanding of in-context learning algorithms in more realistic settings, pushes forward our intuitions and enables further theory bridging to larger models.
Authors: Zhichen Zeng, Mengyue Hang, Xiaolong Liu, Xiaoyi Liu, Xiao Lin, Ruizhong Qiu, Tianxin Wei, Zhining Liu, Siyang Yuan, Chaofei Yang, Yiqun Liu, Hang Yin, Jiyan Yang, Hanghang Tong
Abstract: Deep models have driven significant advances in click-through rate (CTR) prediction. While vertical scaling via layer stacking improves model expressiveness, the layer-by-layer sequential computation poses challenges to efficient scaling. Conversely, horizontal scaling through Mixture of Experts (MoE) achieves efficient scaling by activating a small subset of experts in parallel, but flat MoE layers may struggle to capture the hierarchical structure inherent in recommendation tasks. To push the Return-On-Investment (ROI) boundary, we explore the complementary strengths of both directions and propose HiLoMoE, a hierarchical LoRA MoE framework that enables holistic scaling in a parameter-efficient manner. Specifically, HiLoMoE employs lightweight rank-1 experts for parameter-efficient horizontal scaling, and stacks multiple MoE layers with hierarchical routing to enable combinatorially diverse expert compositions. Unlike conventional stacking, HiLoMoE routes based on prior layer scores rather than outputs, allowing all layers to execute in parallel. A principled three-stage training framework ensures stable optimization and expert diversity. Experiments on four public datasets show that HiLoMoE achieving better performance-efficiency tradeoff, achieving an average AUC improvement of 0.20\% in AUC and 18.5\% reduction in FLOPs compared to the non-MoE baseline.
Authors: Zixiang Xu, Menghui Zhou, Jun Qi, Xuanhan Fan, Yun Yang, Po Yang
Abstract: Alzheimer's Disease (AD) is the most prevalent neurodegenerative disorder in aging populations, posing a significant and escalating burden on global healthcare systems. While Multi-Tusk Learning (MTL) has emerged as a powerful computational paradigm for modeling longitudinal AD data, existing frameworks do not account for the time-varying nature of feature correlations. To address this limitation, we propose a novel MTL framework, named Feature Similarity Laplacian graph Multi-Task Learning (MTL-FSL). Our framework introduces a novel Feature Similarity Laplacian (FSL) penalty that explicitly models the time-varying relationships between features. By simultaneously considering temporal smoothness among tasks and the dynamic correlations among features, our model enhances both predictive accuracy and biological interpretability. To solve the non-smooth optimization problem arising from our proposed penalty terms, we adopt the Alternating Direction Method of Multipliers (ADMM) algorithm. Experiments conducted on the Alzheimer's Disease Neuroimaging Initiative (ADNI) dataset demonstrate that our proposed MTL-FSL framework achieves state-of-the-art performance, outperforming various baseline methods. The implementation source can be found at https://github.com/huatxxx/MTL-FSL.
Authors: Masoud Makrehchi
Abstract: We analyze a reversed-supervision strategy that searches over labelings of a large unlabeled set \(B\) to minimize error on a small labeled set \(A\). The search space is \(2^n\), and the resulting complexity remains exponential even under large constant-factor speedups (e.g., quantum or massively parallel hardware). Consequently, arbitrarily fast -- but not exponentially faster -- computation does not obviate the need for informative labels or priors. In practice, the machine learning pipeline still requires an initial human contribution: specifying the objective, defining classes, and providing a seed set of representative annotations that inject inductive bias and align models with task semantics. Synthetic labels from generative AI can partially substitute provided their quality is human-grade and anchored by a human-specified objective, seed supervision, and validation. In this view, generative models function as \emph{label amplifiers}, leveraging small human-curated cores via active, semi-supervised, and self-training loops, while humans retain oversight for calibration, drift detection, and failure auditing. Thus, extreme computational speed reduces wall-clock time but not the fundamental supervision needs of learning; initial human (or human-grade) input remains necessary to ground the system in the intended task.
Authors: Keisuke Fujii, Kazushi Tsutsui, Yu Teshima, Makoto Itoh, Naoya Takeishi, Nozomi Nishiumi, Ryoya Tanaka, Shunsuke Shigaki, Yoshinobu Kawahara
Abstract: Simulators of animal movements play a valuable role in studying behavior. Advances in imitation learning for robotics have expanded possibilities for reproducing human and animal movements. A key challenge for realistic multi-animal simulation in biology is bridging the gap between unknown real-world transition models and their simulated counterparts. Because locomotion dynamics are seldom known, relying solely on mathematical models is insufficient; constructing a simulator that both reproduces real trajectories and supports reward-driven optimization remains an open problem. We introduce a data-driven simulator for multi-animal behavior based on deep reinforcement learning and counterfactual simulation. We address the ill-posed nature of the problem caused by high degrees of freedom in locomotion by estimating movement variables of an incomplete transition model as actions within an RL framework. We also employ a distance-based pseudo-reward to align and compare states between cyber and physical spaces. Validated on artificial agents, flies, newts, and silkmoth, our approach achieves higher reproducibility of species-specific behaviors and improved reward acquisition compared with standard imitation and RL methods. Moreover, it enables counterfactual behavior prediction in novel experimental settings and supports multi-individual modeling for flexible what-if trajectory generation, suggesting its potential to simulate and elucidate complex multi-animal behaviors.
Authors: Yi Ren, Xinjie Yu
Abstract: Modern Internet of Things (IoT) systems generate massive, heterogeneous multivariate time series data. Accurate Multivariate Time Series Forecasting (MTSF) of such data is critical for numerous applications. However, existing methods almost universally employ a shared embedding layer that processes all channels identically, creating a representational bottleneck that obscures valuable channel-specific information. To address this challenge, we introduce a Shared-Auxiliary Embedding (SAE) framework that decomposes the embedding into a shared base component capturing common patterns and channel-specific auxiliary components modeling unique deviations. Within this decomposition, we \rev{empirically observe} that the auxiliary components tend to exhibit low-rank and clustering characteristics, a structural pattern that is significantly less apparent when using purely independent embeddings. Consequently, we design LightSAE, a parameter-efficient embedding module that operationalizes these observed characteristics through low-rank factorization and a shared, gated component pool. Extensive experiments across 9 IoT-related datasets and 4 backbone architectures demonstrate LightSAE's effectiveness, achieving MSE improvements of up to 22.8\% with only 4.0\% parameter increase.
Authors: Gunho Park, Jeongin Bae, Beomseok Kwon, Byeongwook Kim, Se Jung Kwon, Dongsoo Lee
Abstract: The deployment of large language models (LLMs) is increasingly constrained by memory and latency bottlenecks, motivating the need for quantization techniques that flexibly balance accuracy and efficiency. Recent work has introduced multi-precision models, which enable inference at multiple precisions within a single model depending on runtime constraints. To support such flexibility, quantized weights are often stored as bit-planes, where hardware efficiency improves when the compute operates directly at the bit-plane level and activates only the precision required by each request. In this work, we present AnyBCQ, a hardware-friendly multi-precision extension of Binary-Coded Quantization (BCQ) that supports direct bit-plane operations. By representing weights as binary bit-planes with corresponding scale factors, AnyBCQ enables bit-plane-level computation and maps naturally to accelerator-friendly, bit-parallel arithmetic. Our progressive precision expansion mechanism incrementally refines scaling factors while reusing previously assigned binary codes, yielding monotonic improvements in accuracy as additional bits are enabled. We further co-design a specialized kernel that exploits the BCQ structure to support dynamic per-request precision selection with negligible overhead. Experiments on recent LLMs demonstrate that AnyBCQ significantly narrows the accuracy drop in the low-bit regime (e.g. 2-bit), remains competitive at higher precision, and achieves throughput gains of up to 3.0x over half precision and 1.2x over state-of-the-art multi-precision methods. By aligning algorithmic flexibility with hardware efficiency, AnyBCQ provides a practical foundation for multi-precision LLM deployment across diverse service-level objectives.
Authors: Zhijian Zhou, Liuhua Peng, Xunye Tian, Feng Liu
Abstract: The relative similarity testing aims to determine which of the distributions, P or Q, is closer to an anchor distribution U. Existing kernel-based approaches often test the relative similarity with a fixed kernel in a manually specified alternative hypothesis, e.g., Q is closer to U than P. Although kernel selection is known to be important to kernel-based testing methods, the manually specified hypothesis poses a significant challenge for kernel selection in relative similarity testing: Once the hypothesis is specified first, we can always find a kernel such that the hypothesis is rejected. This challenge makes relative similarity testing ill-defined when we want to select a good kernel after the hypothesis is specified. In this paper, we cope with this challenge via learning a proper hypothesis and a kernel simultaneously, instead of learning a kernel after manually specifying the hypothesis. We propose an anchor-based maximum discrepancy (AMD), which defines the relative similarity as the maximum discrepancy between the distances of (U, P) and (U, Q) in a space of deep kernels. Based on AMD, our testing incorporates two phases. In Phase I, we estimate the AMD over the deep kernel space and infer the potential hypothesis. In Phase II, we assess the statistical significance of the potential hypothesis, where we propose a unified testing framework to derive thresholds for tests over different possible hypotheses from Phase I. Lastly, we validate our method theoretically and demonstrate its effectiveness via extensive experiments on benchmark datasets. Codes are publicly available at: https://github.com/zhijianzhouml/AMD.
Authors: Zishen Zhang, Xiangzhe Kong, Wenbing Huang, Yang Liu
Abstract: Designing protein binders targeting specific sites, which requires to generate realistic and functional interaction patterns, is a fundamental challenge in drug discovery. Current structure-based generative models are limited in generating nterfaces with sufficient rationality and interpretability. In this paper, we propose Retrieval-Augmented Diffusion for Aligned interface (RADiAnce), a new framework that leverages known interfaces to guide the design of novel binders. By unifying retrieval and generation in a shared contrastive latent space, our model efficiently identifies relevant interfaces for a given binding site and seamlessly integrates them through a conditional latent diffusion generator, enabling cross-domain interface transfer. Extensive exeriments show that RADiAnce significantly outperforms baseline models across multiple metrics, including binding affinity and recovery of geometries and interactions. Additional experimental results validate cross-domain generalization, demonstrating that retrieving interfaces from diverse domains, such as peptides, antibodies, and protein fragments, enhances the generation performance of binders for other domains. Our work establishes a new paradigm for protein binder design that successfully bridges retrieval-based knowledge and generative AI, opening new possibilities for drug discovery.
Authors: Narayan S Iyer, Bivas Bhaumik, Ram S Iyer, Satyasaran Changdar
Abstract: Partial differential equations (PDEs) provide a mathematical foundation for simulating and understanding intricate behaviors in both physical sciences and engineering. With the growing capabilities of deep learning, data$-$driven approaches like Physics$-$Informed Neural Networks (PINNs) have been developed, offering a mesh$-$free, analytic type framework for efficiently solving PDEs across a wide range of applications. However, traditional PINNs often struggle with challenges such as limited precision, slow training dynamics, lack of labeled data availability, and inadequate handling of multi$-$physics interactions. To overcome these challenging issues of PINNs, we proposed a Gradient Enhanced Self$-$Training PINN (gST$-$PINN) method that specifically introduces a gradient based pseudo point self$-$learning algorithm for solving PDEs. We tested the proposed method on three different types of PDE problems from various fields, each representing distinct scenarios. The effectiveness of the proposed method is evident, as the PINN approach for solving the Burgers$'$ equation attains a mean square error (MSE) on the order of $10^{-3}$, while the diffusion$-$sorption equation achieves an MSE on the order of $10^{-4}$ after 12,500 iterations, with no further improvement as the iterations increase. In contrast, the MSE for both PDEs in the gST$-$PINN model continues to decrease, demonstrating better generalization and reaching an MSE on the order of $10^{-5}$ after 18,500 iterations. Furthermore, the results show that the proposed purely semi$-$supervised gST$-$PINN consistently outperforms the standard PINN method in all cases, even when solution of the PDEs are unavailable. It generalizes both PINN and Gradient$-$enhanced PINN (gPINN), and can be effectively applied in scenarios prone to low accuracy and convergence issues, particularly in the absence of labeled data.
Authors: Kanishkha Jaisankar, Sunidhi Tandel
Abstract: Motion planning in complex scenarios is a core challenge in autonomous driving. Conventional methods apply predefined rules or learn from driving data to generate trajectories, while recent approaches leverage large language models (LLMs) for decision-making. However, it remains unclear whether LLMs truly capture human driving logic. We propose Align2Act, a motion planning framework that transforms instruction-tuned LLMs into interpretable planners aligned with human behavior. We derive structured driving instructions based on human reasoning patterns (e.g., anticipate hazards, yield at intersections) and traffic rules (e.g., stop at red lights, maintain lane boundaries). Our Align2ActChain module guides step-by-step reasoning to produce both an interpretable rationale and a safe trajectory. By fine-tuning LLaMA-2-7B with LoRA on one million scenarios from the nuPlan dataset, our method achieves an open-loop score of 85.17 and closed-loop scores of 70.31 (non-reactive) and 66.96 (reactive) on Test14-random. Unlike prior work focused on synthetic or open-loop settings, we demonstrate improved planning quality and human-likeness on the real-world nuPlan closed-loop benchmark. Ablation studies confirm that structured reasoning significantly improves performance over baseline LLM planners.
Authors: Subhodip Panda, Dhruv Tarsadiya, Shashwat Sourav, Prathosh A. P, Sai Praneeth Karimireddy
Abstract: Influence estimation methods promise to explain and debug machine learning by estimating the impact of individual samples on the final model. Yet, existing methods collapse under training randomness: the same example may appear critical in one run and irrelevant in the next. Such instability undermines their use in data curation or cleanup since it is unclear if we indeed deleted/kept the correct datapoints. To overcome this, we introduce *f-influence* -- a new influence estimation framework grounded in hypothesis testing that explicitly accounts for training randomness, and establish desirable properties that make it suitable for reliable influence estimation. We also design a highly efficient algorithm **f**-**IN**fluence **E**stimation (**f-INE**) that computes f-influence **in a single training run**. Finally, we scale up f-INE to estimate influence of instruction tuning data on Llama-3.1-8B and show it can reliably detect poisoned samples that steer model opinions, demonstrating its utility for data cleanup and attributing model behavior.
Authors: Md Ibrahim Shikder Mahin, Md Shamsul Arefin, Md Tanvir Hasan
Abstract: Healthcare research and development face significant obstacles due to data scarcity and stringent privacy regulations, such as HIPAA and the GDPR, restricting access to essential real-world medical data. These limitations impede innovation, delay robust AI model creation, and hinder advancements in patient-centered care. Synthetic data generation offers a transformative solution by producing artificial datasets that emulate real data statistics while safeguarding patient privacy. We introduce a novel hybrid framework for high-fidelity healthcare data synthesis integrating five augmentation methods: noise injection, interpolation, Gaussian Mixture Model (GMM) sampling, Conditional Variational Autoencoder (CVAE) sampling, and SMOTE, combined via a reinforcement learning-based dynamic weight selection mechanism. Its key innovations include advanced calibration techniques -- moment matching, full histogram matching, soft and adaptive soft histogram matching, and iterative refinement -- that align marginal distributions and preserve joint feature dependencies. Evaluated on the Breast Cancer Wisconsin (UCI Repository) and Khulna Medical College cardiology datasets, our calibrated hybrid achieves Wasserstein distances as low as 0.001 and Kolmogorov-Smirnov statistics around 0.01, demonstrating near-zero marginal discrepancy. Pairwise trend scores surpass 90%, and Nearest Neighbor Adversarial Accuracy approaches 50%, confirming robust privacy protection. Downstream classifiers trained on synthetic data achieve up to 94% accuracy and F1 scores above 93%, comparable to models trained on real data. This scalable, privacy-preserving approach matches state-of-the-art methods, sets new benchmarks for joint-distribution fidelity in healthcare, and supports sensitive AI applications.
Authors: Hanbing Liu, Huaze Tang, Yanru Wu, Yang Li, Xiao-Ping Zhang
Abstract: Continuous Domain Adaptation (CDA) effectively bridges significant domain shifts by progressively adapting from the source domain through intermediate domains to the target domain. However, selecting intermediate domains without explicit metadata remains a substantial challenge that has not been extensively explored in existing studies. To tackle this issue, we propose a novel framework that combines reinforcement learning with feature disentanglement to conduct domain path selection in an unsupervised CDA setting. Our approach introduces an innovative unsupervised reward mechanism that leverages the distances between latent domain embeddings to facilitate the identification of optimal transfer paths. Furthermore, by disentangling features, our method facilitates the calculation of unsupervised rewards using domain-specific features and promotes domain adaptation by aligning domain-invariant features. This integrated strategy is designed to simultaneously optimize transfer paths and target task performance, enhancing the effectiveness of domain adaptation processes. Extensive empirical evaluations on datasets such as Rotated MNIST and ADNI demonstrate substantial improvements in prediction accuracy and domain selection efficiency, establishing our method's superiority over traditional CDA approaches.
Authors: Zihan Chen, Yiming Zhang, Hengguang Zhou, Zenghui Ding, Yining Sun, Cho-Jui Hsieh
Abstract: Current benchmarks are inadequate for evaluating progress in reinforcement learning (RL) for large language models (LLMs).Despite recent benchmark gains reported for RL, we find that training on these benchmarks' training sets achieves nearly the same performance as training directly on the test sets, suggesting that the benchmarks cannot reliably separate further progress.To study this phenomenon, we introduce a diagnostic suite and the Oracle Performance Gap (OPG) metric that quantifies the performance difference between training on the train split versus the test split of a benchmark. We further analyze this phenomenon with stress tests and find that, despite strong benchmark scores, existing RL methods struggle to generalize across distribution shifts, varying levels of difficulty, and counterfactual scenarios: shortcomings that current benchmarks fail to reveal.We conclude that current benchmarks are insufficient for evaluating generalization and propose three core principles for designing more faithful benchmarks: sufficient difficulty, balanced evaluation, and distributional robustness.
Authors: Abdelkrim Zitouni, Mehdi Hennequin, Juba Agoun, Ryan Horache, Nadia Kabachi, Omar Rivasplata
Abstract: We derive a novel PAC-Bayesian generalization bound for reinforcement learning that explicitly accounts for Markov dependencies in the data, through the chain's mixing time. This contributes to overcoming challenges in obtaining generalization guarantees for reinforcement learning, where the sequential nature of data breaks the independence assumptions underlying classical bounds. Our bound provides non-vacuous certificates for modern off-policy algorithms like Soft Actor-Critic. We demonstrate the bound's practical utility through PB-SAC, a novel algorithm that optimizes the bound during training to guide exploration. Experiments across continuous control tasks show that our approach provides meaningful confidence certificates while maintaining competitive performance.
Authors: Weiming Zhao, Xulong Wang, Jun Qi, Yun Yang, Po Yang
Abstract: Severity assessment of Parkinson's disease (PD) using wearable sensors offers an effective, objective basis for clinical management. However, general-purpose time series models often lack pathological specificity in feature extraction, making it difficult to capture subtle signals highly correlated with PD.Furthermore, the temporal sparsity of PD symptoms causes key diagnostic features to be easily "diluted" by traditional aggregation methods, further complicating assessment. To address these issues, we propose the Multi-scale Frequency-Aware Adversarial Multi-Instance Network (MFAM). This model enhances feature specificity through a frequency decomposition module guided by medical prior knowledge. Furthermore, by introducing an attention-based multi-instance learning (MIL) framework, the model can adaptively focus on the most diagnostically valuable sparse segments.We comprehensively validated MFAM on both the public PADS dataset for PD versus differential diagnosis (DD) binary classification and a private dataset for four-class severity assessment. Experimental results demonstrate that MFAM outperforms general-purpose time series models in handling complex clinical time series with specificity, providing a promising solution for automated assessment of PD severity.
Authors: Zirui Wan, Stefan Vlaski
Abstract: Classical consensus-based strategies for federated and decentralized learning are statistically suboptimal in the presence of heterogeneous local data or task distributions. As a result, in recent years, there has been growing interest in multitask or personalized strategies, which allow individual agents to benefit from one another in pursuing locally optimal models without enforcing consensus. Existing strategies require either precise prior knowledge of the underlying task relationships or are fully non-parametric and instead rely on meta-learning or proximal constructions. In this work, we introduce an algorithmic framework that strikes a balance between these extremes. By modeling task relationships through a Gaussian Markov Random Field with an unknown precision matrix, we develop a strategy that jointly learns both the task relationships and the local models, allowing agents to self-organize in a way consistent with their individual data distributions. Our theoretical analysis quantifies the quality of the learned relationship, and our numerical experiments demonstrate its practical effectiveness.
Authors: Byeongchan Lee
Abstract: Self-supervised representation learning has achieved impressive empirical success, yet its theoretical understanding remains limited. In this work, we provide a theoretical perspective by formulating self-supervised representation learning as an approximation to supervised representation learning objectives. Based on this formulation, we derive a loss function closely related to popular contrastive losses such as InfoNCE, offering insight into their underlying principles. Our derivation naturally introduces the concepts of prototype representation bias and a balanced contrastive loss, which help explain and improve the behavior of self-supervised learning algorithms. We further show how components of our theoretical framework correspond to established practices in contrastive learning. Finally, we empirically validate the effect of balancing positive and negative pair interactions. All theoretical proofs are provided in the appendix, and our code is included in the supplementary material.
Authors: Giulio Ruffini
Abstract: In the algorithmic (Kolmogorov) view, agents are programs that track and compress sensory streams using generative programs. We propose a framework where the relevant structural prior is simplicity (Solomonoff) understood as \emph{compositional symmetry}: natural streams are well described by (local) actions of finite-parameter Lie pseudogroups on geometrically and topologically complex low-dimensional configuration manifolds (latent spaces). Modeling the agent as a generic neural dynamical system coupled to such streams, we show that accurate world-tracking imposes (i) \emph{structural constraints} -- equivariance of the agent's constitutive equations and readouts -- and (ii) \emph{dynamical constraints}: under static inputs, symmetry induces conserved quantities (Noether-style labels) in the agent dynamics and confines trajectories to reduced invariant manifolds; under slow drift, these manifolds move but remain low-dimensional. This yields a hierarchy of reduced manifolds aligned with the compositional factorization of the pseudogroup, providing a geometric account of the ``blessing of compositionality'' in deep models. We connect these ideas to the Spencer formalism for Lie pseudogroups and formulate a symmetry-based, self-contained version of predictive coding in which higher layers receive only \emph{coarse-grained residual transformations} (prediction-error coordinates) along symmetry directions unresolved at lower layers.
Authors: Yuheng Chen, Dingkun Liu, Xinyao Yang, Xinping Xu, Baicheng Chen, Dongrui Wu
Abstract: Brain-computer interfaces (BCIs) provide potential for applications ranging from medical rehabilitation to cognitive state assessment by establishing direct communication pathways between the brain and external devices via electroencephalography (EEG). However, EEG-based BCIs are severely constrained by data scarcity and significant inter-subject variability, which hinder the generalization and applicability of EEG decoding models in practical settings. To address these challenges, we propose FusionGen, a novel EEG data generation framework based on disentangled representation learning and feature fusion. By integrating features across trials through a feature matching fusion module and combining them with a lightweight feature extraction and reconstruction pipeline, FusionGen ensures both data diversity and trainability under limited data constraints. Extensive experiments on multiple publicly available EEG datasets demonstrate that FusionGen significantly outperforms existing augmentation techniques, yielding notable improvements in classification accuracy.
Authors: MohammadHossein Bateni, Hossein Esfandiari, Samira HosseinGhorban, Alireza Mirrokni, Radin Shahdaei
Abstract: Building learning models frequently requires evaluating numerous intermediate models. Examples include models considered during feature selection, model structure search, and parameter tunings. The evaluation of an intermediate model influences subsequent model exploration decisions. Although prior knowledge can provide initial quality estimates, true performance is only revealed after evaluation. In this work, we address the challenge of optimally allocating a bounded budget to explore the space of intermediate models. We formalize this as a general budget allocation problem over unknown-value functions within a Lipschitz space.
Authors: Bahadur Yadav, Sanjay Kumar Mohanty
Abstract: Forecasting stock prices remains challenging due to the volatile and non-linear nature of financial markets. Despite the promise of deep learning, issues such as mode collapse, unstable training, and difficulty in capturing temporal and feature level correlations have limited the applications of GANs in this domain. We propose a GRU-based Encoder-Decoder GAN (EDGAN) model that strikes a balance between expressive power and simplicity. The model introduces key innovations such as a temporal decoder with residual connections for precise reconstruction, conditioning on static and dynamic covariates for contextual learning, and a windowing mechanism to capture temporal dynamics. Here, the generator uses a dense encoder-decoder framework with residual GRU blocks. Extensive experiments on diverse stock datasets demonstrate that EDGAN achieves superior forecasting accuracy and training stability, even in volatile markets. It consistently outperforms traditional GAN variants in forecasting accuracy and convergence stability under market conditions.
Authors: Hanbing Liu, Yanru Wu, Yang Li, Ercan E. Kuruoglu, Xuan Zhang
Abstract: Lithium-ion batteries are becoming increasingly omnipresent in energy supply. However, the durability of energy storage using lithium-ion batteries is threatened by their dropping capacity with the growing number of charging/discharging cycles. An accurate capacity prediction is the key to ensure system efficiency and reliability, where the exploitation of battery state information in each cycle has been largely undervalued. In this paper, we propose a semiparametric deep Gaussian process regression framework named SDG-L to give predictions based on the modeling of time series battery state data. By introducing an LSTM feature extractor, the SDG-L is specially designed to better utilize the auxiliary profiling information during charging/discharging process. In experimental studies based on NASA dataset, our proposed method obtains an average test MSE error of 1.2%. We also show that SDG-L achieves better performance compared to existing works and validate the framework using ablation studies.
Authors: Yuval Golbari, Navve Wasserman, Gal Vardi, Michal Irani
Abstract: Determining which data samples were used to train a model-known as Membership Inference Attack (MIA)-is a well-studied and important problem with implications for data privacy. Black-box methods presume access only to the model's outputs and often rely on training auxiliary reference models. While they have shown strong empirical performance, they rely on assumptions that rarely hold in real-world settings: (i) the attacker knows the training hyperparameters; (ii) all available non-training samples come from the same distribution as the training data; and (iii) the fraction of training data in the evaluation set is known. In this paper, we demonstrate that removing these assumptions leads to a significant drop in the performance of black-box attacks. We introduce ImpMIA, a Membership Inference Attack that exploits the Implicit Bias of neural networks, hence removes the need to rely on any reference models and their assumptions. ImpMIA is a white-box attack -- a setting which assumes access to model weights and is becoming increasingly realistic given that many models are publicly available (e.g., via Hugging Face). Building on maximum-margin implicit bias theory, ImpMIA uses the Karush-Kuhn-Tucker (KKT) optimality conditions to identify training samples. This is done by finding the samples whose gradients most strongly reconstruct the trained model's parameters. As a result, ImpMIA achieves state-of-the-art performance compared to both black and white box attacks in realistic settings where only the model weights and a superset of the training data are available.
Authors: Shaoning Li, Le Zhuo, Yusong Wang, Mingyu Li, Xinheng He, Fandi Wu, Hongsheng Li, Pheng-Ann Heng
Abstract: Developing effective representations of protein structures is essential for advancing protein science, particularly for protein generative modeling. Current approaches often grapple with the complexities of the SE(3) manifold, rely on discrete tokenization, or the need for multiple training objectives, all of which can hinder the model optimization and generalization. We introduce ProteinAE, a novel and streamlined protein diffusion autoencoder designed to overcome these challenges by directly mapping protein backbone coordinates from E(3) into a continuous, compact latent space. ProteinAE employs a non-equivariant Diffusion Transformer with a bottleneck design for efficient compression and is trained end-to-end with a single flow matching objective, substantially simplifying the optimization pipeline. We demonstrate that ProteinAE achieves state-of-the-art reconstruction quality, outperforming existing autoencoders. The resulting latent space serves as a powerful foundation for a latent diffusion model that bypasses the need for explicit equivariance. This enables efficient, high-quality structure generation that is competitive with leading structure-based approaches and significantly outperforms prior latent-based methods. Code is available at https://github.com/OnlyLoveKFC/ProteinAE_v1.
Authors: Michal Sadowski, Maria Wyrzykowska, Lukasz Sztukiewicz, Tadija Radusinovi\'c, Jan Rzymkowski, Pawe{\l} W{\l}odarczyk-Pruszy\'nski, Miko{\l}aj Sacha, Piotr Kozakowski, Ruard van Workum, Stanislaw Kamil Jastrzebski
Abstract: Retrosynthesis is one of the domains transformed by the rise of generative models, and it is one where the problem of nonsensical or erroneous outputs (hallucinations) is particularly insidious: reliable assessment of synthetic plans is time-consuming, with automatic methods lacking. In this work, we present RetroTrim, a retrosynthesis system that successfully avoids nonsensical plans on a set of challenging drug-like targets. Compared to common baselines in the field, our system is not only the sole method that succeeds in filtering out hallucinated reactions, but it also results in the highest number of high-quality paths overall. The key insight behind RetroTrim is the combination of diverse reaction scoring strategies, based on machine learning models and existing chemical databases. We show that our scoring strategies capture different classes of hallucinations by analyzing them on a dataset of labeled retrosynthetic intermediates. To measure the performance of retrosynthesis systems, we propose a novel evaluation protocol for reactions and synthetic paths based on a structured review by expert chemists. Using this protocol, we compare systems on a set of 32 novel targets, curated to reflect recent trends in drug structures. While the insights behind our methodology are broadly applicable to retrosynthesis, our focus is on targets in the drug-like domain. By releasing our benchmark targets and the details of our evaluation protocol, we hope to inspire further research into reliable retrosynthesis.
Authors: Ying-Kuan Tsai, Vispi Karkaria, Yi-Ping Chen, Wei Chen
Abstract: Control Co-Design (CCD) integrates physical and control system design to improve the performance of dynamic and autonomous systems. Despite advances in uncertainty-aware CCD methods, real-world uncertainties remain highly unpredictable. Multi-generation design addresses this challenge by considering the full lifecycle of a product: data collected from each generation informs the design of subsequent generations, enabling progressive improvements in robustness and efficiency. Digital Twin (DT) technology further strengthens this paradigm by creating virtual representations that evolve over the lifecycle through real-time sensing, model updating, and adaptive re-optimization. This paper presents a DT-enabled CCD framework that integrates Deep Reinforcement Learning (DRL) to jointly optimize physical design and controller. DRL accelerates real-time decision-making by allowing controllers to continuously learn from data and adapt to uncertain environments. Extending this approach, the framework employs a multi-generation paradigm, where each cycle of deployment, operation, and redesign uses collected data to refine DT models, improve uncertainty quantification through quantile regression, and inform next-generation designs of both physical components and controllers. The framework is demonstrated on an active suspension system, where DT-enabled learning from road conditions and driving behaviors yields smoother and more stable control trajectories. Results show that the method significantly enhances dynamic performance, robustness, and efficiency. Contributions of this work include: (1) extending CCD into a lifecycle-oriented multi-generation framework, (2) leveraging DTs for continuous model updating and informed design, and (3) employing DRL to accelerate adaptive real-time decision-making.
Authors: Long Chen, Huixin Bai, Mingxin Wang, Xiaohua Huang, Ying Liu, Jie Zhao, Ziyu Guan
Abstract: Accurate modeling of inter-stock relationships is critical for stock price forecasting. However, existing methods predominantly focus on single-state relationships, neglecting the essential complementarity between dynamic and static inter-stock relations. To solve this problem, we propose a Dual Relation Fusion Network (DRFN) to capture the long-term relative stability of stock relation structures while retaining the flexibility to respond to sudden market shifts. Our approach features a novel relative static relation component that models time-varying long-term patterns and incorporates overnight informational influences. We capture dynamic inter-stock relationships through distance-aware mechanisms, while evolving long-term structures via recurrent fusion of dynamic relations from the prior day with the pre-defined static relations. Experiments demonstrate that our method significantly outperforms the baselines across different markets, with high sensitivity to the co-movement of relational strength and stock price.
Authors: Usman Gani Joy, Shahadat kabir, Tasnim Niger
Abstract: Accurate climate forecasting is vital for Bangladesh, a region highly susceptible to climate change impacts on temperature and rainfall. Existing models often struggle to capture long-range dependencies and complex temporal patterns in climate data. This study introduces an advanced Long Short-Term Memory (LSTM) model integrated with an attention mechanism to enhance the prediction of temperature and rainfall dynamics. Utilizing comprehensive datasets from 1901-2023, sourced from NASA's POWER Project for temperature and the Humanitarian Data Exchange for rainfall, the model effectively captures seasonal and long-term trends. It outperforms baseline models, including XGBoost, Simple LSTM, and GRU, achieving a test MSE of 0.2411 (normalized units), MAE of 0.3860 degrees C, R^2 of 0.9834, and NRMSE of 0.0370 for temperature, and MSE of 1283.67 mm^2, MAE of 22.91 mm, R^2 of 0.9639, and NRMSE of 0.0354 for rainfall on monthly forecasts. The model demonstrates improved robustness with only a 20 percent increase in MSE under simulated climate trends (compared to an approximately 2.2-fold increase in baseline models without trend features) and a 50 percent degradation under regional variations (compared to an approximately 4.8-fold increase in baseline models without enhancements). These results highlight the model's ability to improve forecasting precision and offer potential insights into the physical processes governing climate variability in Bangladesh, supporting applications in climate-sensitive sectors.
Authors: Mamoona Ghafoor, Tatsuya Akutsu
Abstract: The generation of trees with a specified tree edit distance has significant applications across various fields, including computational biology, structured data analysis, and image processing. Recently, generative networks have been increasingly employed to synthesize new data that closely resembles the original datasets. However, the appropriate size and depth of generative networks required to generate data with a specified tree edit distance remain unclear. In this paper, we theoretically establish the existence and construction of generative networks capable of producing trees similar to a given tree with respect to the tree edit distance. Specifically, for a given rooted, ordered, and vertex-labeled tree T of size n + 1 with labels from an alphabet \Sigma, and a non-negative integer d, we prove that all rooted, ordered, and vertex-labeled trees over \Sigma with tree edit distance at most d from T can be generated using a ReLU-based generative network with size O(n^3 ) and constant depth. The proposed networks were implemented and evaluated for generating trees with up to 21 nodes. Due to their deterministic architecture, the networks successfully generated all valid trees within the specified tree edit distance. In contrast, state-of-the-art graph generative models GraphRNN and GraphGDP, which rely on non-deterministic mechanisms, produced significantly fewer valid trees, achieving validation rates of only up to 35% and 48%, respectively. These findings provide a theoretical foundation towards construction of compact generative models and open new directions for exact and valid tree-structured data generation. An implementation of the proposed networks is available at https://github.com/MGANN-KU/TreeGen_ReLUNetworks.
Authors: Jiazheng Sun, Weixin Wang, Pan Xu
Abstract: We provide a unified algorithmic framework for ensemble sampling in nonlinear contextual bandits and develop corresponding regret bounds for two most common nonlinear contextual bandit settings: Generalized Linear Ensemble Sampling (\texttt{GLM-ES}) for generalized linear bandits and Neural Ensemble Sampling (\texttt{Neural-ES}) for neural contextual bandits. Both methods maintain multiple estimators for the reward model parameters via maximum likelihood estimation on randomly perturbed data. We prove high-probability frequentist regret bounds of $\mathcal{O}(d^{3/2} \sqrt{T} + d^{9/2})$ for \texttt{GLM-ES} and $\mathcal{O}(\widetilde{d} \sqrt{T})$ for \texttt{Neural-ES}, where $d$ is the dimension of feature vectors, $\widetilde{d}$ is the effective dimension of a neural tangent kernel matrix, and $T$ is the number of rounds. These regret bounds match the state-of-the-art results of randomized exploration algorithms in nonlinear contextual bandit settings. In the theoretical analysis, we introduce techniques that address challenges specific to nonlinear models. Practically, we remove fixed-time horizon assumptions by developing anytime versions of our algorithms, suitable when $T$ is unknown. Finally, we empirically evaluate \texttt{GLM-ES}, \texttt{Neural-ES}, and their anytime variants, demonstrating strong performance. Overall, our results establish ensemble sampling as a provable and practical randomized exploration approach for nonlinear contextual bandits.
Authors: Shivani Shukla, Himanshu Joshi
Abstract: We introduce a general stochastic differential equation framework for modelling multiobjective optimization dynamics in iterative Large Language Model (LLM) interactions. Our framework captures the inherent stochasticity of LLM responses through explicit diffusion terms and reveals systematic interference patterns between competing objectives via an interference matrix formulation. We validate our theoretical framework using iterative code generation as a proof-of-concept application, analyzing 400 sessions across security, efficiency, and functionality objectives. Our results demonstrate strategy-dependent convergence behaviors with rates ranging from 0.33 to 1.29, and predictive accuracy achieving R2 = 0.74 for balanced approaches. This work proposes the feasibility of dynamical systems analysis for multi-objective LLM interactions, with code generation serving as an initial validation domain.
Authors: Shaharyar Ahmed Khan Tareen, Filza Khan Tareen
Abstract: Deep neural networks (DNNs) have provided brilliant performance across various tasks. However, this success often comes at the cost of unnecessarily large model sizes, high computational demands, and substantial memory footprints. Typically, powerful architectures are trained at full depths but not all datasets or tasks require such high model capacity. Training very deep architectures on relatively low-complexity datasets frequently leads to wasted computation, unnecessary energy consumption, and excessive memory usage, which in turn makes deployment of models on resource-constrained devices impractical. To address this problem, we introduce Optimally Deep Networks (ODNs), which provide a balance between model depth and task complexity. Specifically, we propose a NAS like training strategy called progressive depth expansion, which begins by training deep networks at shallower depths and incrementally increases their depth as the earlier blocks converge, continuing this process until the target accuracy is reached. ODNs use only the optimal depth for the given datasets, removing redundant layers. This cuts down future training and inference costs, lowers the memory footprint, enhances computational efficiency, and facilitates deployment on edge devices. Empirical results show that the optimal depths of ResNet-18 and ResNet-34 for MNIST and SVHN, achieve up to 98.64 % and 96.44 % reduction in memory footprint, while maintaining a competitive accuracy of 99.31 % and 96.08 %, respectively.
Authors: Jiayuan Sheng, Hanyang Zhao, Haoxian Chen, David D. Yao, Wenpin Tang
Abstract: Reinforcement Learning from Human Feedback (RLHF) is increasingly used to fine-tune diffusion models, but a key challenge arises from the mismatch between stochastic samplers used during training and deterministic samplers used during inference. In practice, models are fine-tuned using stochastic SDE samplers to encourage exploration, while inference typically relies on deterministic ODE samplers for efficiency and stability. This discrepancy induces a reward gap, raising concerns about whether high-quality outputs can be expected during inference. In this paper, we theoretically characterize this reward gap and provide non-vacuous bounds for general diffusion models, along with sharper convergence rates for Variance Exploding (VE) and Variance Preserving (VP) Gaussian models. Methodologically, we adopt the generalized denoising diffusion implicit models (gDDIM) framework to support arbitrarily high levels of stochasticity, preserving data marginals throughout. Empirically, our findings through large-scale experiments on text-to-image models using denoising diffusion policy optimization (DDPO) and mixed group relative policy optimization (MixGRPO) validate that reward gaps consistently narrow over training, and ODE sampling quality improves when models are updated using higher-stochasticity SDE training.
Authors: Amber Li, Aruzhan Abil, Juno Marques Oda
Abstract: In financial markets, Graph Neural Networks have been successfully applied to modeling relational data, effectively capturing nonlinear inter-stock dependencies. Yet, existing models often fail to efficiently propagate messages during macroeconomic shocks. In this paper, we propose OmniGNN, an attention-based multi-relational dynamic GNN that integrates macroeconomic context via heterogeneous node and edge types for robust message passing. Central to OmniGNN is a sector node acting as a global intermediary, enabling rapid shock propagation across the graph without relying on long-range multi-hop diffusion. The model leverages Graph Attention Networks (GAT) to weigh neighbor contributions and employs Transformers to capture temporal dynamics across multiplex relations. Experiments show that OmniGNN outperforms existing stock prediction models on public datasets, particularly demonstrating strong robustness during the COVID-19 period.
Authors: Andrey Veprikov, Arman Bolatov, Samuel Horv\'ath, Aleksandr Beznosikov, Martin Tak\'a\v{c}, Slavomir Hanzely
Abstract: Optimization lies at the core of modern deep learning, yet existing methods often face a fundamental trade-off between adapting to problem geometry and leveraging curvature utilization. Steepest descent algorithms adapt to different geometries through norm choices but remain strictly first-order, whereas quasi-Newton and adaptive optimizers incorporate curvature information but are restricted to Frobenius geometry, limiting their applicability across diverse architectures. In this work, we propose a unified framework generalizing steepest descent, quasi-Newton methods, and adaptive methods through the novel notion of preconditioned matrix norms. This abstraction reveals that widely used optimizers such as SGD and Adam, as well as more advanced approaches like Muon and KL-Shampoo, and recent hybrids including SOAP and SPlus, all emerge as special cases of the same principle. Within this framework, we provide the first systematic treatment of affine and scale invariance in the matrix-parameterized setting, establishing necessary and sufficient conditions under generalized norms. Building on this foundation, we introduce two new methods, $\texttt{MuAdam}$ and $\texttt{MuAdam-SANIA}$, which combine the spectral geometry of Muon with Adam-style preconditioning. Our experiments demonstrate that these optimizers are competitive with, and in some cases outperform, existing state-of-the-art methods. Our code is available at https://github.com/brain-lab-research/LIB/tree/quasi_descent
URLs: https://github.com/brain-lab-research/LIB/tree/quasi_descent
Authors: Zhongju Yuan, Geraint Wiggins, Dick Botteldooren
Abstract: Today's deep learning architectures are primarily based on perceptron models, which do not capture the oscillatory dynamics characteristic of biological neurons. Although oscillatory systems have recently gained attention for their closer resemblance to neural behavior, they still fall short of modeling the intricate spatio-temporal interactions observed in natural neural circuits. In this paper, we propose a bio-inspired oscillatory state system (BioOSS) designed to emulate the wave-like propagation dynamics critical to neural processing, particularly in the prefrontal cortex (PFC), where complex activity patterns emerge. BioOSS comprises two interacting populations of neurons: p neurons, which represent simplified membrane-potential-like units inspired by pyramidal cells in cortical columns, and o neurons, which govern propagation velocities and modulate the lateral spread of activity. Through local interactions, these neurons produce wave-like propagation patterns. The model incorporates trainable parameters for damping and propagation speed, enabling flexible adaptation to task-specific spatio-temporal structures. We evaluate BioOSS on both synthetic and real-world tasks, demonstrating superior performance and enhanced interpretability compared to alternative architectures.
Authors: Wanshu Nie, Sujay V. Kumar, Junyu Chen, Long Zhao, Olya Skulovich, Jinwoong Yoo, Justin Pflug, Shahryar Khalique Ahmad, Goutam Konapala
Abstract: Recent advances in machine learning such as Long Short-Term Memory (LSTM) models and Transformers have been widely adopted in hydrological applications, demonstrating impressive performance amongst deep learning models and outperforming physical models in various tasks. However, their superiority in predicting land surface states such as terrestrial water storage (TWS) that are dominated by many factors such as natural variability and human driven modifications remains unclear. Here, using the open-access, globally representative HydroGlobe dataset - comprising a baseline version derived solely from a land surface model simulation and an advanced version incorporating multi-source remote sensing data assimilation - we show that linear regression is a robust benchmark, outperforming the more complex LSTM and Temporal Fusion Transformer for TWS prediction. Our findings highlight the importance of including traditional statistical models as benchmarks when developing and evaluating deep learning models. Additionally, we emphasize the critical need to establish globally representative benchmark datasets that capture the combined impact of natural variability and human interventions.
Authors: Javier Garc\'ia-Sig\"uenza, Mirco Nanni, Fara\'on Llorens-Largo, Jos\'e F. Vicent
Abstract: This work addresses the challenge of using a deep learning model to prune graphs and the ability of this method to integrate explainability into spatio-temporal problems through a new approach. Instead of applying explainability to the model's behavior, we seek to gain a better understanding of the problem itself. To this end, we propose a novel model that integrates an optimized pruning mechanism capable of removing nodes from the graph during the training process, rather than doing so as a separate procedure. This integration allows the architecture to learn how to minimize prediction error while selecting the most relevant nodes. Thus, during training, the model searches for the most relevant subset of nodes, obtaining the most important elements of the problem, facilitating its analysis. To evaluate the proposed approach, we used several widely used traffic datasets, comparing the accuracy obtained by pruning with the model and with other methods. The experiments demonstrate that our method is capable of retaining a greater amount of information as the graph reduces in size compared to the other methods used. These results highlight the potential of pruning as a tool for developing models capable of simplifying spatio-temporal problems, thereby obtaining their most important elements.
Authors: Ali Atiah Alzahrani
Abstract: We study whether regime-conditioned generative scenarios, coupled with a convex CVaR allocator, improve portfolio decisions under regime shifts. We introduce Multi-Agent Regime-Conditioned Diffusion (MARCD), which (i) infers latent regimes via a Gaussian HMM, (ii) trains a diffusion model with a tail-weighted objective and a regime-specialized mixture-of-experts (MoE) denoiser to enrich crisis co-movements, and (iii) feeds the generated scenarios into a turnover-aware CVaR epigraph quadratic program with explicit governance. In strict walk-forward tests on liquid multi-asset ETFs (2005-2025), MARCD outperforms standard allocators and improves calibration relative to popular generators. Over 2020-2025 out-of-sample (monthly; 10 bps), MARCD attains Sharpe 1.23 (BL 1.02) and MaxDD 9.3 percent (BL 14.1 percent), a 34 percent reduction, at comparable turnover; stationary block-bootstrap intervals indicate the Sharpe uplift is significant at 5 percent. We provide theory linking tail-weighted diffusion to spectral-risk control of the decision-relevant CVaR gap, oracle/consistency results for the regime-MoE denoiser, and Lipschitz/regret guarantees for the allocator. Together, MARCD offers a reproducible bridge from tail-faithful scenario modeling to governed portfolio decisions with materially improved drawdown control.
Authors: Omar Islam Laskar, Fatemeh Ramezani Khozestani, Ishika Nankani, Sohrab Namazi Nia, Senjuti Basu Roy, Kaustubh Beedkar
Abstract: Data-sharing ecosystems enable entities -- such as providers, consumers, and intermediaries -- to access, exchange, and utilize data for various downstream tasks and applications. Due to privacy concerns, data providers typically anonymize datasets before sharing them; however, the existence of multiple masking configurations results in masked datasets with varying utility. Consequently, a key challenge lies in efficiently determining the optimal masking configuration that maximizes a dataset's utility. This paper presents AEGIS, a middleware framework for identifying the optimal masking configuration for machine learning datasets that consist of features and a class label. We introduce a utility optimizer that minimizes predictive utility deviation -- a metric based on the changes in feature-label correlations before and after masking. Our framework leverages limited data summaries (such as 1D histograms) or none to estimate the feature-label joint distribution, making it suitable for scenarios where raw data is inaccessible due to privacy restrictions. To achieve this, we propose a joint distribution estimator based on iterative proportional fitting, which allows supporting various feature-label correlation quantification methods such as g3, mutual information, or chi-square. Our experimental evaluation on real-world datasets shows that AEGIS identifies optimal masking configurations over an order of magnitude faster, while the resulting masked datasets achieve predictive performance on downstream ML tasks that is on par with baseline approaches.
Authors: Donald Loveland, Yao-An Yang, Danai Koutra
Abstract: Learning on text-attributed graphs has motivated the use of Large Language Models (LLMs) for graph learning. However, most fusion strategies are applied uniformly across all nodes and attain only small overall performance gains. We argue this result stems from aggregate metrics that obscure when LLMs provide benefit, inhibiting actionable signals for new strategies. In this work, we reframe LLM-GNN fusion around nodes where GNNs typically falter. We first show that performance can significantly differ between GNNs and LLMs, with each excelling on distinct structural patterns, such as local homophily. To leverage this finding, we propose GLANCE (GNN with LLM Assistance for Neighbor- and Context-aware Embeddings), a framework that invokes an LLM to refine a GNN's prediction. GLANCE employs a lightweight router that, given inexpensive per-node signals, decides whether to query the LLM. Since the LLM calls are non-differentiable, the router is trained with an advantage-based objective that compares the utility of querying the LLM against relying solely on the GNN. Across multiple benchmarks, GLANCE achieves the best performance balance across node subgroups, achieving significant gains on heterophilous nodes (up to $+13\%$) while simultaneously achieving top overall performance. Our findings highlight the value of adaptive, node-aware GNN-LLM architectures, where selectively invoking the LLM enables scalable deployment on large graphs without incurring high computational costs.
Authors: Aadithya Srikanth, Mudit Gaur, Vaneet Aggarwal
Abstract: Diffusion models have demonstrated remarkable performance in generating high-dimensional samples across domains such as vision, language, and the sciences. Although continuous-state diffusion models have been extensively studied both empirically and theoretically, discrete-state diffusion models, essential for applications involving text, sequences, and combinatorial structures, remain significantly less understood from a theoretical standpoint. In particular, all existing analyses of discrete-state models assume score estimation error bounds without studying sample complexity results. In this work, we present a principled theoretical framework for discrete-state diffusion, providing the first sample complexity bound of $\widetilde{\mathcal{O}}(\epsilon^{-2})$. Our structured decomposition of the score estimation error into statistical, approximation, optimization, and clipping components offers critical insights into how discrete-state models can be trained efficiently. This analysis addresses a fundamental gap in the literature and establishes the theoretical tractability and practical relevance of discrete-state diffusion models.
Authors: Samuel Yuan, Divyanshu Saxena, Jiayi Chen, Nihal Sharma, Aditya Akella
Abstract: Several learned policies have been proposed to replace heuristics for scheduling, caching, and other system components in modern systems. By leveraging diverse features, learning from historical trends, and predicting future behaviors, such models promise to keep pace with ever-increasing workload dynamism and continuous hardware evolution. However, policies trained in isolation may still achieve suboptimal performance when placed together. In this paper, we inspect one such instance in the domain of hardware caching -- for the policies of cache replacement and prefetching. We argue that these two policies are bidirectionally interdependent and make the case for training the two jointly. We propose a joint learning approach based on developing shared representations for the features used by the two policies. We present two approaches to develop these shared representations, one based on a joint encoder and another based on contrastive learning of the embeddings, and demonstrate promising preliminary results for both of these. Finally, we lay down an agenda for future research in this direction.
Authors: Shuaicheng Zhang, Haohui Wang, Junhong Lin, Xiaojie Guo, Yada Zhu, Si Zhang, Dongqi Fu, Dawei Zhou
Abstract: Graph heterophily, where connected nodes have different labels, has attracted significant interest recently. Most existing works adopt a simplified approach - using low-pass filters for homophilic graphs and high-pass filters for heterophilic graphs. However, we discover that the relationship between graph heterophily and spectral filters is more complex - the optimal filter response varies across frequency components and does not follow a strict monotonic correlation with heterophily degree. This finding challenges conventional fixed filter designs and suggests the need for adaptive filtering to preserve expressiveness in graph embeddings. Formally, natural questions arise: Given a heterophilic graph G, how and to what extent will the varying heterophily degree of G affect the performance of GNNs? How can we design adaptive filters to fit those varying heterophilic connections? Our theoretical analysis reveals that the average frequency response of GNNs and graph heterophily degree do not follow a strict monotonic correlation, necessitating adaptive graph filters to guarantee good generalization performance. Hence, we propose [METHOD NAME], a simple yet powerful GNN, which extracts information across the heterophily spectrum and combines salient representations through adaptive mixing. [METHOD NAME]'s superior performance achieves up to 9.2% accuracy improvement over leading baselines across homophilic and heterophilic graphs.
Authors: Mahmoud Abdelghafar, Maryam Aliakbarpour, Chris Jermaine
Abstract: Disclosing private information via publication of a machine learning model is often a concern. Intuitively, publishing a learned model should be less risky than publishing a dataset. But how much risk is there? In this paper, we present a principled disclosure metric called \emph{gradient uniqueness} that is derived from an upper bound on the amount of information disclosure from publishing a learned model. Gradient uniqueness provides an intuitive way to perform privacy auditing. The mathematical derivation of gradient uniqueness is general, and does not make any assumption on the model architecture, dataset type, or the strategy of an attacker. We examine a simple defense based on monitoring gradient uniqueness, and find that it achieves privacy comparable to classical methods such as DP-SGD, while being substantially better in terms of (utility) testing accuracy.
Authors: Hanchang Cheng, Weimin Mu, Fan Liu, Weilin Zhu, Can Ma
Abstract: Time series anomaly detection(TSAD) is a critical task in signal processing field, ensuring the reliability of complex systems. Reconstruction-based methods dominate in TSAD. Among these methods, VAE-based methods have achieved promising results. Existing VAE-based methods suffer from the limitation of single-window feature and insufficient leveraging of long-term time and frequency information. We propose a Conditional Variational AutoEncoder with Long-term dependency and Probabilistic time-frequency fusion, named LPCVAE. LPCVAE introduces LSTM to capture long-term dependencies beyond windows. It further incorporates a Product-of-Experts (PoE) mechanism for adaptive and distribution-level probabilistic fusion. This design effectively mitigates time-frequency information loss. Extensive experiments on four public datasets demonstrate it outperforms state-of-the-art methods. The results confirm that integrating long-term time and frequency representations with adaptive fusion yields a robust and efficient solution for TSAD.
Authors: Hengyuan Zhang, Shiping Yang, Xiao Liang, Chenming Shang, Yuxuan Jiang, Chaofan Tao, Jing Xiong, Hayden Kwok-Hay So, Ruobing Xie, Angel X. Chang, Ngai Wong
Abstract: Training student models on synthetic data generated by strong teacher models is a promising way to distilling the capabilities of teachers. However, recent studies show that stronger models are not always optimal teachers, revealing a mismatch between teacher outputs and student learnability. To address this issue, we propose PerSyn (Personalized data Synthesis), a novel synthesis strategy that operates under a new ``Route then Generate'' paradigm to create data tailored to each student model, enabling it to learn more effectively. Specifically, PerSyn first assigns each prompt to its optimal teacher via a query-level router that jointly considers student learnability and teacher response quality. Each teacher then synthesizes data only for its assigned prompts, making the process more efficient than the conventional ``Generate then Select'' paradigm, where all teachers must generate parallel responses for the entire prompt set before constructing the final dataset. Extensive experiments across different model families and scales demonstrate that PerSyn consistently achieves superior or comparable performance to all baselines in instruct tuning and math reasoning settings. Further analysis verifies the effectiveness of PerSyn and offers extra insights to propel future research.
Authors: Qizhou Peng, Yang Zheng, Yu Wen, Yanna Wu, Yingying Du
Abstract: Reinforcement learning (RL) has been an important machine learning paradigm for solving long-horizon sequential decision-making problems under uncertainty. By integrating deep neural networks (DNNs) into the RL framework, deep reinforcement learning (DRL) has emerged, which achieved significant success in various domains. However, the integration of DNNs also makes it vulnerable to adversarial attacks. Existing adversarial attack techniques mainly focus on either directly manipulating the environment with which a victim agent interacts or deploying an adversarial agent that interacts with the victim agent to induce abnormal behaviors. While these techniques achieve promising results, their adoption in multi-party open systems remains limited due to two major reasons: impractical assumption of full control over the environment and dependent on interactions with victim agents. To enable adversarial attacks in multi-party open systems, in this paper, we redesigned an adversarial policy learning approach that can mislead well-trained victim agents without requiring direct interactions with these agents or full control over their environments. Particularly, we propose a neutral agent-based approach across various task scenarios in multi-party open systems. While the neutral agents seemingly are detached from the victim agents, indirectly influence them through the shared environment. We evaluate our proposed method on the SMAC platform based on Starcraft II and the autonomous driving simulation platform Highway-env. The experimental results demonstrate that our method can launch general and effective adversarial attacks in multi-party open systems.
Authors: Yuda Bi, Ying Zhu, Vince D Calhoun
Abstract: We present a theoretical framework that extends classical information theory to finite and structured systems by redefining redundancy as a fundamental property of information organization rather than inefficiency. In this framework, redundancy is expressed as a general family of informational divergences that unifies multiple classical measures, such as mutual information, chi-squared dependence, and spectral redundancy, under a single geometric principle. This reveals that these traditional quantities are not isolated heuristics but projections of a shared redundancy geometry. The theory further predicts that redundancy is bounded both above and below, giving rise to an optimal equilibrium that balances over-compression (loss of structure) and over-coupling (collapse). While classical communication theory favors minimal redundancy for transmission efficiency, finite and structured systems, such as those underlying real-world learning, achieve maximal stability and generalization near this equilibrium. Experiments with masked autoencoders are used to illustrate and verify this principle: the model exhibits a stable redundancy level where generalization peaks. Together, these results establish redundancy as a measurable and tunable quantity that bridges the asymptotic world of communication and the finite world of learning.
Authors: Xi Mao, Zhendong Wang, Jingyu Li, Lingchao Mao, Utibe Essien, Hairong Wang, Xuelei Sherry Ni
Abstract: Early detection of Alzheimer's disease (AD) is crucial because its neurodegenerative effects are irreversible, and neuropathologic and social-behavioral risk factors accumulate years before diagnosis. Identifying higher-risk individuals earlier enables prevention, timely care, and equitable resource allocation. We predict cognitive performance from social determinants of health (SDOH) using the NIH NIA-supported PREPARE Challenge Phase 2 dataset derived from the nationally representative Mex-Cog cohort of the 2003 and 2012 Mexican Health and Aging Study (MHAS). Data: The target is a validated composite cognitive score across seven domains-orientation, memory, attention, language, constructional praxis, and executive function-derived from the 2016 and 2021 MHAS waves. Predictors span demographic, socioeconomic, health, lifestyle, psychosocial, and healthcare access factors. Methodology: Missingness was addressed with a singular value decomposition (SVD)-based imputation pipeline treating continuous and categorical variables separately. This approach leverages latent feature correlations to recover missing values while balancing reliability and scalability. After evaluating multiple methods, XGBoost was chosen for its superior predictive performance. Results and Discussion: The framework outperformed existing methods and the data challenge leaderboard, demonstrating high accuracy, robustness, and interpretability. SHAP-based post hoc analysis identified top contributing SDOH factors and age-specific feature patterns. Notably, flooring material emerged as a strong predictor, reflecting socioeconomic and environmental disparities. Other influential factors, age, SES, lifestyle, social interaction, sleep, stress, and BMI, underscore the multifactorial nature of cognitive aging and the value of interpretable, data-driven SDOH modeling.
Authors: Xiaoyun Zhang, Xiaojian Yuan, Di Huang, Wang You, Chen Hu, Jingqing Ruan, Kejiang Chen, Xing Hu
Abstract: Reasoning ability has become a defining capability of Large Language Models (LLMs), with Reinforcement Learning with Verifiable Rewards (RLVR) emerging as a key paradigm to enhance it. However, RLVR training often suffers from policy entropy collapse, where the policy becomes overly deterministic, hindering exploration and limiting reasoning performance. While entropy regularization is a common remedy, its effectiveness is highly sensitive to the fixed coefficient, making it unstable across tasks and models. In this work, we revisit entropy regularization in RLVR and argue that its potential has been largely underestimated. Our analysis shows that (i) tasks of varying difficulty demand distinct exploration intensities, and (ii) balanced exploration may require the policy entropy to be maintained within a moderate range below its initial level. Therefore, we propose Adaptive Entropy Regularization (AER)--a framework that dynamically balances exploration and exploitation via three components: difficulty-aware coefficient allocation, initial-anchored target entropy, and dynamic global coefficient adjustment. Experiments on multiple mathematical reasoning benchmarks show that AER consistently outperforms baselines, improving both reasoning accuracy and exploration capability.
Authors: Wei Huang, Yue Liao, Yukang Chen, Jianhui Liu, Haoru Tan, Si Liu, Shiming Zhang, Shuicheng Yan, Xiaojuan Qi
Abstract: Mixture-of-Experts (MoE) effectively scales large language models (LLMs) and vision-language models (VLMs) by increasing capacity through sparse activation. However, preloading all experts into memory and activating multiple experts per input introduces significant computational and memory overhead, making the expert module a major contributor to model size and inference cost. To address this, we propose MC# (Mixture-Compressor-sharp), a framework that combines static quantization and dynamic expert pruning by leveraging the significance of experts and tokens for aggressive compression of MoE-LLMs/VLMs. To reduce storage and loading costs, we introduce Pre-Loading Mixed-Precision Quantization (PMQ), which optimizes bit allocation via linear programming, balancing expert importance and quantization error for a Pareto-optimal trade-off between size and performance. To reduce runtime computation, Online Top-any Pruning (OTP) uses Gumbel-Softmax sampling to dynamically select a subset of experts per token, enabling fine-grained control over activation. By combining PMQ's static bit-width optimization with OTP's dynamic routing, MC# achieves extreme compression with minimal accuracy loss. On DeepSeek-VL2, MC# achieves a 6.2 times weight reduction at 2.57 average bits with only a 1.7% accuracy drop across five multimodal benchmarks. Additionally, OTP reduces expert activation over 20% with less than 1% performance degradation, demonstrating strong potential for efficient MoE-based model deployment.
Authors: Zhuo Li, Yuege Feng, Dandan Guo, Jinpeng Hu, Anningzhe Gao, Xiang Wan
Abstract: The reward model (RM) plays a crucial role in aligning Large Language Models (LLMs) with human preferences through Reinforcement Learning, where the Bradley-Terry (BT) objective has been recognized as simple yet powerful, specifically for pairwise preference learning. However, BT-based RMs often struggle to effectively distinguish between similar preference responses, leading to insufficient separation between preferred and non-preferred outputs. Consequently, they may easily overfit easy samples and cannot generalize well to Out-Of-Distribution (OOD) samples, resulting in suboptimal performance. To address these challenges, this paper introduces an effective enhancement to BT-based RMs through an adaptive margin mechanism. Specifically, we design to dynamically adjust the RM focus on more challenging samples through margins, based on both semantic similarity and model-predicted reward differences, which is approached from a distributional perspective solvable with Optimal Transport (OT). By incorporating these factors into a principled OT cost matrix design, our adaptive margin enables the RM to better capture distributional differences between chosen and rejected responses, yielding significant improvements in performance, convergence speed, and generalization capabilities. Experimental results across multiple benchmarks demonstrate that our method outperforms several existing RM techniques, showcasing enhanced performance in both In-Distribution (ID) and OOD settings. Moreover, RLHF experiments support our practical effectiveness in better aligning LLMs with human preferences. Our code is available at https://github.com/BIRlz/APLOT
Authors: Junhyuck Kim, Ethan Ewer, Taehong Moon, Jongho Park, Dimitris Papailiopoulos
Abstract: While 4-bit quantization has emerged as a memory-optimal choice for non-reasoning models and zero-shot tasks across scales, we show that this universal prescription fails for reasoning models, where the KV cache rather than model size can dominate memory. Through systematic experiments across 1,700 inference scenarios on AIME25 and GPQA-Diamond, we find a scale-dependent trade-off: models with an effective size below 8-bit 4B parameters achieve better accuracy by allocating memory to more weights rather than longer generation, while larger models achieve better accuracy by allocating memory to longer generations. This scale threshold also determines when parallel scaling becomes memory-efficient and whether KV cache eviction outperforms KV quantization. Our findings show that memory optimization for LLMs cannot be scale-agnostic, while providing principled guidelines: for small reasoning models, prioritize model capacity over test-time compute, while for larger ones, maximize test-time compute. Our results suggest that optimizing reasoning models for deployment requires fundamentally different strategies from those established for non-reasoning models.
Authors: Hongkai Zheng, Austin Wang, Zihui Wu, Zhengyu Huang, Ricardo Baptista, Yisong Yue
Abstract: Derivative-free Bayesian inversion is an important task in many science and engineering applications, particularly when computing the forward model derivative is computationally and practically challenging. In this paper, we introduce Blade, which can produce accurate and well-calibrated posteriors for Bayesian inversion using an ensemble of interacting particles. Blade leverages powerful data-driven priors based on diffusion models, and can handle nonlinear forward models that permit only black-box access (i.e., derivative-free). Theoretically, we establish a non-asymptotic convergence analysis to characterize the effects of forward model and prior estimation errors. Empirically, Blade achieves superior performance compared to existing derivative-free Bayesian inversion methods on various inverse problems, including challenging highly nonlinear fluid dynamics.
Authors: Di Zhang
Abstract: Self-supervised learning (SSL) has achieved remarkable success by learning meaningful representations without labeled data. However, a unified theoretical framework for understanding and comparing the efficiency of different SSL paradigms remains elusive. In this paper, we introduce a novel information-geometric framework to quantify representation efficiency. We define representation efficiency $\eta$ as the ratio between the effective intrinsic dimension of the learned representation space and its ambient dimension, where the effective dimension is derived from the spectral properties of the Fisher Information Matrix (FIM) on the statistical manifold induced by the encoder. Within this framework, we present a theoretical analysis of the Barlow Twins method. Under specific but natural assumptions, we prove that Barlow Twins achieves optimal representation efficiency ($\eta = 1$) by driving the cross-correlation matrix of representations towards the identity matrix, which in turn induces an isotropic FIM. This work provides a rigorous theoretical foundation for understanding the effectiveness of Barlow Twins and offers a new geometric perspective for analyzing SSL algorithms.
Authors: Zihan Wang, Zhiyong Ma, Zhongkui Ma, Shuofeng Liu, Akide Liu, Derui Wang, Minhui Xue, Guangdong Bai
Abstract: Recent AI regulations call for data that remain useful for innovation while resistant to misuse, balancing utility with protection at the model level. Existing approaches either perturb data to make it unlearnable or retrain models to suppress transfer, but neither governs inference by unknown models, and both typically require control over training. We propose non-transferable examples (NEs), a training-free and data-agnostic input-side usage-control mechanism. We recode inputs within a model-specific low-sensitivity subspace, preserving outputs for the authorized model while reducing performance on unauthorized models through subspace misalignment. We establish formal bounds that guarantee utility for the authorized model and quantify deviation for unauthorized ones, with the Hoffman-Wielandt inequality linking degradation to spectral differences. Empirically, NEs retain performance on diverse vision backbones and state-of-the-art vision-language models under common preprocessing, whereas non-target models collapse even with reconstruction attempts. These results establish NEs as a practical means to preserve intended data utility while preventing unauthorized exploitation. Our project is available at https://trusted-system-lab.github.io/model-specificity
URLs: https://trusted-system-lab.github.io/model-specificity
Authors: Ziyi Gao, Yike Xu, Jiahao Yuan, Baokun Wang, Jinyong Wen, Xiaotong Lin, Yun Liu, Xing Fu, Yu Cheng, Yongchao Liu, Weiqiang Wang, Zhongle Xie
Abstract: User representation modeling has become increasingly crucial for personalized applications, yet existing approaches struggle with generalizability across domains and sensitivity to noisy behavioral signals. We present InstructUE, an instruction-aware user embedding foundation model that leverages large language models (LLMs) to generate general and instruction-aware user representations. InstructUE introduces a multi-encoder architecture with a lightweight adapter that efficiently processes heterogeneous data from six different sources while preserving their structural characteristics. Additionally, it proposes a novel contrastive-autoregressive training framework that bridges language and representation spaces through a curated UserQA dataset. The contrastive-autoregressive training framework simultaneously leverages autoregressive learning to capture domain knowledge in language space and contrastive learning to align user-text embeddings in representation space, thereby enhancing the instruction-awareness and noise-robustness of user embeddings. Through extensive experiments on real-world applications, we demonstrate that InstructUE significantly outperforms existing methods across multiple domains including user prediction, marketing, and recommendation scenarios. Our results show that instruction-aware user modeling can effectively achieve instruction-guided denoising of user information in specific scenarios, paving the way for more generalizable and robust user representation learning.
Authors: Pranav Ramesh, Arjun Roy, Deepak Ravikumar, Kaushik Roy, Gopalakrishnan Srinivasan
Abstract: Designing adversarially robust models from a data-centric perspective requires understanding which input samples are most crucial for learning resilient features. While coreset selection provides a mechanism for efficient training on data subsets, current algorithms are designed for clean accuracy and fall short in preserving robustness. To address this, we propose a framework linking a sample's adversarial vulnerability to its \textit{hardness}, which we quantify using the average input gradient norm (AIGN) over training. We demonstrate that \textit{easy} samples (with low AIGN) are less vulnerable and occupy regions further from the decision boundary. Leveraging this insight, we present EasyCore, a coreset selection algorithm that retains only the samples with low AIGN for training. We empirically show that models trained on EasyCore-selected data achieve significantly higher adversarial accuracy than those trained with competing coreset methods under both standard and adversarial training. As AIGN is a model-agnostic dataset property, EasyCore is an efficient and widely applicable data-centric method for improving adversarial robustness. We show that EasyCore achieves up to 7\% and 5\% improvement in adversarial accuracy under standard training and TRADES adversarial training, respectively, compared to existing coreset methods.
Authors: Sonakshi Dua, Gonzalo Mateos, Sundeep Prabhakar Chepuri
Abstract: Trustworthy decision making in networked, dynamic environments calls for innovative uncertainty quantification substrates in predictive models for graph time series. Existing conformal prediction (CP) methods have been applied separately to multivariate time series and static graphs, but they either ignore the underlying graph topology or neglect temporal dynamics. To bridge this gap, here we develop a CP-based sequential prediction region framework tailored for graph time series. A key technical innovation is to leverage the graph structure and thus capture pairwise dependencies across nodes, while providing user-specified coverage guarantees on the predictive outcomes. We formally establish that our scheme yields an exponential shrinkage in the volume of the ellipsoidal prediction set relative to its graph-agnostic counterpart. Using real-world datasets, we demonstrate that the novel uncertainty quantification framework maintains desired empirical coverage while achieving markedly smaller (up to 80% reduction) prediction regions than existing approaches.
Authors: Youngrok Park, Hojung Jung, Sangmin Bae, Se-Young Yun
Abstract: Diffusion models have achieved remarkable success as generative models. However, even a well-trained model can accumulate errors throughout the generation process. These errors become particularly problematic when arbitrary guidance is applied to steer samples toward desired properties, which often breaks sample fidelity. In this paper, we propose a general solution to address the off-manifold phenomenon observed in diffusion models. Our approach leverages a time predictor to estimate deviations from the desired data manifold at each timestep, identifying that a larger time gap is associated with reduced generation quality. We then design a novel guidance mechanism, `Temporal Alignment Guidance' (TAG), attracting the samples back to the desired manifold at every timestep during generation. Through extensive experiments, we demonstrate that TAG consistently produces samples closely aligned with the desired manifold at each timestep, leading to significant improvements in generation quality across various downstream tasks.
Authors: I Chiu, Yu-Tung Liu, Kuan-Chen Wang, Hung-Yu Wei, Yu Tsao
Abstract: Photoplethysmography (PPG) is widely used in wearable health monitoring, but its reliability is often degraded by noise and motion artifacts, limiting downstream applications such as heart rate (HR) estimation. This paper presents a deep learning framework for PPG denoising with an emphasis on preserving physiological information. In this framework, we propose DPNet, a Mamba-based denoising backbone designed for effective temporal modeling. To further enhance denoising performance, the framework also incorporates a scale-invariant signal-to-distortion ratio (SI-SDR) loss to promote waveform fidelity and an auxiliary HR predictor (HRP) that provides physiological consistency through HR-based supervision. Experiments on the BIDMC dataset show that our method achieves strong robustness against both synthetic noise and real-world motion artifacts, outperforming conventional filtering and existing neural models. Our method can effectively restore PPG signals while maintaining HR accuracy, highlighting the complementary roles of SI-SDR loss and HR-guided supervision. These results demonstrate the potential of our approach for practical deployment in wearable healthcare systems.
Authors: Yujie Zhao, Lanxiang Hu, Yang Wang, Minmin Hou, Hao Zhang, Ke Ding, Jishen Zhao
Abstract: Multi-agent systems (MAS) and reinforcement learning (RL) are widely used to enhance the agentic capabilities of large language models (LLMs). MAS improves task performance through role-based orchestration, while RL uses environmental rewards to learn stronger policies, such as GRPO-style optimization. However, applying on-policy RL to MAS remains underexplored and presents unique challenges. Algorithmically, standard GRPO grouping assumptions break down because prompts vary by role and by turn. System-wise, the training stack must support MAS-workflow rollouts and on-policy updates for both single-policy and multi-policy models. We propose AT-GRPO, which includes (i) an agent- and turn-wise grouped RL algorithm tailored to MAS and (ii) a training system that supports both single- and multi-policy regimes. Across game, planning, coding, and math tasks, AT-GRPO delivers substantial gains. On long-horizon planning, it increases accuracy from a 14.0 to 47.0 percent single-agent RL baseline to 96.0 to 99.5 percent. It also improves reasoning performance, with average gains of 3.87 to 7.62 percent on coding tasks and 9.0 to 17.93 percent on math. Code and environments are available at: https://github.com/pettingllms-ai/PettingLLMs.
Authors: Xinyu Luo, Jie Liu, Kecheng Chen, Junyi Yang, Bo Ding, Arindam Basu, Haoliang Li
Abstract: Edge devices face significant challenges due to limited computational resources and distribution shifts, making efficient and adaptable machine learning essential. Existing test-time adaptation (TTA) methods often rely on gradient-based optimization or batch processing, which are inherently unsuitable for resource-constrained edge scenarios due to their reliance on backpropagation and high computational demands. Gradient-free alternatives address these issues but often suffer from limited learning capacity, lack flexibility, or impose architectural constraints. To overcome these limitations, we propose a novel single-instance TTA method tailored for edge devices (TED), which employs forward-only coordinate optimization in the principal subspace of latent using the covariance matrix adaptation evolution strategy (CMA-ES). By updating a compact low-dimensional vector, TED not only enhances output confidence but also aligns the latent representation closer to the source latent distribution within the latent principal subspace. This is achieved without backpropagation, keeping the model parameters frozen, and enabling efficient, forgetting-free adaptation with minimal memory and computational overhead. Experiments on image classification and keyword spotting tasks across the ImageNet and Google Speech Commands series datasets demonstrate that TED achieves state-of-the-art performance while $\textit{reducing computational complexity by up to 63 times}$, offering a practical and scalable solution for real-world edge applications. Furthermore, we successfully $\textit{deployed TED on the ZYNQ-7020 platform}$, demonstrating its feasibility and effectiveness for resource-constrained edge devices in real-world deployments.
Authors: Wonah Kim, Jeonghyeon Park, Dongsan Jun, Jungkyu Han, Sejin Chun
Abstract: Disentangling complex causal relationships is important for accurate detection of anomalies. In multivariate time series analysis, dynamic interactions among data variables over time complicate the interpretation of causal relationships. Traditional approaches assume statistical independence between variables in unsupervised settings, whereas recent methods capture feature correlations through graph representation learning. However, their representations fail to explicitly infer the causal relationships over different time periods. To solve the problem, we propose Causally Disentangled Representation Learning for Anomaly Detection (CDRL4AD) to detect anomalies and identify their causal relationships in multivariate time series. First, we design the causal process as model input, the temporal heterogeneous graph, and causal relationships. Second, our representation identifies causal relationships over different time periods and disentangles latent variables to infer the corresponding causal factors. Third, our experiments on real-world datasets demonstrate that CDRL4AD outperforms state-of-the-art methods in terms of accuracy and root cause analysis. Fourth, our model analysis validates hyperparameter sensitivity and the time complexity of CDRL4AD. Last, we conduct a case study to show how our approach assists human experts in diagnosing the root causes of anomalies.
Authors: Cheol-Hui Lee, Hwa-Yeon Lee, Min-Kyung Jung, Dong-Joo Kim
Abstract: Missing or corrupted modalities are common in physiological signal-based medical applications owing to hardware constraints or motion artifacts. However, most existing methods assume the availability of all modalities, resulting in substantial performance degradation in the absence of any modality. To overcome this limitation, this study proposes PhysioME, a robust framework designed to ensure reliable performance under missing modality conditions. PhysioME adopts: (1) a multimodal self-supervised learning approach that combines contrastive learning with masked prediction; (2) a Dual-PathNeuroNet backbone tailored to capture the temporal dynamics of each physiological signal modality; and (3) a restoration decoder that reconstructs missing modality tokens, enabling flexible processing of incomplete inputs. The experimental results show that PhysioME achieves high consistency and generalization performance across various missing modality scenarios. These findings highlight the potential of PhysioME as a reliable tool for supporting clinical decision-making in real-world settings with imperfect data availability.
Authors: Rongjie Zhu, Cong Zhang, Zhiguang Cao
Abstract: While large language models (LLMs) are increasingly used as automated heuristic designers for vehicle routing problems (VRPs), current state-of-the-art methods predominantly rely on prompting massive, general-purpose models like GPT-4. This work challenges that paradigm by demonstrating that a smaller, specialized LLM, when meticulously fine-tuned, can generate components that surpass expert-crafted heuristics within advanced solvers. We propose RFTHGS, a novel Reinforcement learning (RL) framework for Fine-Tuning a small LLM to generate high-performance crossover operators for the Hybrid Genetic Search (HGS) solver, applied to the Capacitated VRP (CVRP). Our method employs a multi-tiered, curriculum-based reward function that progressively guides the LLM to master generating first compilable, then executable, and finally, superior-performing operators that exceed human expert designs. This is coupled with an operator caching mechanism that discourages plagiarism and promotes diversity during training. Comprehensive experiments show that our fine-tuned LLM produces crossover operators which significantly outperform the expert-designed ones in HGS. The performance advantage remains consistent, generalizing from small-scale instances to large-scale problems with up to 1000 nodes. Furthermore, RFTHGS exceeds the performance of leading neuro-combinatorial baselines, prompt-based methods, and commercial LLMs such as GPT-4o and GPT-4o-mini.
Authors: Qiyi Tong, Olivia Nocentini, Marta Lagomarsino, Kuanqi Cai, Marta Lorenzini, Arash Ajoudani
Abstract: Facial Landmark Detection (FLD) in thermal imagery is critical for applications in challenging lighting conditions, but it is hampered by the lack of rich visual cues. Conventional cross-modal solutions, like feature fusion or image translation from RGB data, are often computationally expensive or introduce structural artifacts, limiting their practical deployment. To address this, we propose Multi-Level Cross-Modal Knowledge Distillation (MLCM-KD), a novel framework that decouples high-fidelity RGB-to-thermal knowledge transfer from model compression to create both accurate and efficient thermal FLD models. A central challenge during knowledge transfer is the profound modality gap between RGB and thermal data, where traditional unidirectional distillation fails to enforce semantic consistency across disparate feature spaces. To overcome this, we introduce Dual-Injected Knowledge Distillation (DIKD), a bidirectional mechanism designed specifically for this task. DIKD establishes a connection between modalities: it not only guides the thermal student with rich RGB features but also validates the student's learned representations by feeding them back into the frozen teacher's prediction head. This closed-loop supervision forces the student to learn modality-invariant features that are semantically aligned with the teacher, ensuring a robust and profound knowledge transfer. Experiments show that our approach sets a new state-of-the-art on public thermal FLD benchmarks, notably outperforming previous methods while drastically reducing computational overhead.
Authors: Yingnan Liu, Rui Qiao, Mong Li Lee, Wynne Hsu
Abstract: Test-time adaptation aims to improve model robustness under distribution shifts by adapting models with access to unlabeled target samples. A primary cause of performance degradation under such shifts is the model's reliance on features that lack a direct causal relationship with the prediction target. We introduce Test-time Adaptation by Causal Trimming (TACT), a method that identifies and removes non-causal components from representations for test distributions. TACT applies data augmentations that preserve causal features while varying non-causal ones. By analyzing the changes in the representations using Principal Component Analysis, TACT identifies the highest variance directions associated with non-causal features. It trims the representations by removing their projections on the identified directions, and uses the trimmed representations for the predictions. During adaptation, TACT continuously tracks and refines these directions to get a better estimate of non-causal features. We theoretically analyze the effectiveness of this approach and empirically validate TACT on real-world out-of-distribution benchmarks. TACT consistently outperforms state-of-the-art methods by a significant margin.
Authors: Zhijian Zhou, Xunye Tian, Liuhua Peng, Chao Lei, Antonin Schrab, Danica J. Sutherland, Feng Liu
Abstract: To adapt kernel two-sample and independence testing to complex structured data, aggregation of multiple kernels is frequently employed to boost testing power compared to single-kernel tests. However, we observe a phenomenon that directly maximizing multiple kernel-based statistics may result in highly similar kernels that capture highly overlapping information, limiting the effectiveness of aggregation. To address this, we propose an aggregated statistic that explicitly incorporates kernel diversity based on the covariance between different kernels. Moreover, we identify a fundamental challenge: a trade-off between the diversity among kernels and the test power of individual kernels, i.e., the selected kernels should be both effective and diverse. This motivates a testing framework with selection inference, which leverages information from the training phase to select kernels with strong individual performance from the learned diverse kernel pool. We provide rigorous theoretical statements and proofs to show the consistency on the test power and control of Type-I error, along with asymptotic analysis of the proposed statistics. Lastly, we conducted extensive empirical experiments demonstrating the superior performance of our proposed approach across various benchmarks for both two-sample and independence testing.
Authors: Mohammad Karami, Mostafa Jalali, Fatemeh Ghassemi
Abstract: Time series anomaly detection is critical for modern digital infrastructures, yet existing methods lack systematic cross-domain evaluation. We present a comprehensive forecasting-based framework unifying classical methods (Holt-Winters, SARIMA) with deep learning architectures (LSTM, Informer) under a common residual-based detection interface. Our modular pipeline integrates preprocessing (normalization, STL decomposition), four forecasting models, four detection methods, and dual evaluation through forecasting metrics (MAE, RMSE, PCC) and detection metrics (Precision, Recall, F1, AUC). We conduct the first complete evaluation on the Numenta Anomaly Benchmark (58 datasets, 7 categories) with 232 model training runs and 464 detection evaluations achieving 100\% success rate. LSTM achieves best performance (F1: 0.688, ranking first or second on 81\% of datasets) with exceptional correlation on complex patterns (PCC: 0.999). Informer provides competitive accuracy (F1: 0.683) with 30\% faster training. Classical methods achieve perfect predictions on simple synthetic data with 60 lower cost but show 2-3 worse F1-scores on real-world datasets. Forecasting quality dominates detection performance: differences between detection methods (F1: 0.621-0.688) are smaller than between forecasting models (F1: 0.344-0.688). Our findings provide evidence-based guidance: use LSTM for complex patterns, Informer for efficiency-critical deployments, and classical methods for simple periodic data with resource constraints. The complete implementation and results establish baselines for future forecasting-based anomaly detection research.
Authors: Roman A. Kononov, Nikita A. Pospelov, Konstantin V. Anokhin, Vladimir V. Nekorkin, Oleg V. Maslennikov
Abstract: Understanding how learning algorithms shape the computational strategies that emerge in neural networks remains a fundamental challenge in machine intelligence. While network architectures receive extensive attention, the role of the learning paradigm itself in determining emergent dynamics remains largely unexplored. Here we demonstrate that reinforcement learning (RL) and supervised learning (SL) drive recurrent neural networks (RNNs) toward fundamentally different computational solutions when trained on identical decision-making tasks. Through systematic dynamical systems analysis, we reveal that RL spontaneously discovers hybrid attractor architectures, combining stable fixed-point attractors for decision maintenance with quasi-periodic attractors for flexible evidence integration. This contrasts sharply with SL, which converges almost exclusively to simpler fixed-point-only solutions. We further show that RL sculpts functionally balanced neural populations through a powerful form of implicit regularization -- a structural signature that enhances robustness and is conspicuously absent in the more heterogeneous solutions found by SL-trained networks. The prevalence of these complex dynamics in RL is controllably modulated by weight initialization and correlates strongly with performance gains, particularly as task complexity increases. Our results establish the learning algorithm as a primary determinant of emergent computation, revealing how reward-based optimization autonomously discovers sophisticated dynamical mechanisms that are less accessible to direct gradient-based optimization. These findings provide both mechanistic insights into neural computation and actionable principles for designing adaptive AI systems.
Authors: Ilaria Vascotto, Alex Rodriguez, Alessandro Bonaita, Luca Bortolussi
Abstract: The use of Artificial Intelligence (AI) models in real-world and high-risk applications has intensified the discussion about their trustworthiness and ethical usage, from both a technical and a legislative perspective. The field of eXplainable Artificial Intelligence (XAI) addresses this challenge by proposing explanations that bring to light the decision-making processes of complex black-box models. Despite being an essential property, the robustness of explanations is often an overlooked aspect during development: only robust explanation methods can increase the trust in the system as a whole. This paper investigates the role of robustness through the usage of a feature importance aggregation derived from multiple models ($k$-nearest neighbours, random forest and neural networks). Preliminary results showcase the potential in increasing the trustworthiness of the application, while leveraging multiple model's predictive power.
Authors: Jinbin Zhang, Nasib Ullah, Erik Schultheis, Rohit Babbar
Abstract: Large output spaces, also referred to as Extreme multilabel classification (XMC), is a setting that arises, e.g., in large-scale tagging and product-to-product recommendation, and is characterized by the number of labels ranging from hundreds of thousands to millions. This means that the linear classification head, usually only a tiny fraction of the overall model, turns into the main driver for compute and memory demand. Current state-of-the-art XMC methods predominantly rely on FP16-FP32 mixed-precision training, which we show can be unstable, and inefficient in terms of memory usage and computational overhead. Meanwhile, existing low-precision methods typically retain higher precision for the classification layer. In this work, we propose ELMO, a pure low-precision training framework for XMC models using BFloat16 and Float8 data types. By leveraging Kahan summation and stochastic rounding, we demonstrate that XMC models can be effectively trained entirely in Float8, without relying on single-precision master weights or tensor scaling. Low-precision training, combined with our proposed memory optimizations -- gradient fusion and chunking -- enables significant reductions in GPU memory usage. For example, we train a 3-million-label XMC model with only 6.6 GiB of GPU memory, compared to the 39.7 GiB required by the optimized SOTA method, Renee without compromising accuracy.
Authors: Daniel Scalena, Leonidas Zotos, Elisabetta Fersini, Malvina Nissim, Ahmet \"Ust\"un
Abstract: With the rise of reasoning language models and test-time scaling methods as a paradigm for improving model performance, substantial computation is often required to generate multiple candidate sequences from the same prompt. This enables exploration of different reasoning paths toward the correct solution, however, allocates the same compute budget for each prompt. Grounded on the assumption that different prompts carry different degrees of complexity, and thus different computation needs, we propose EAGer, a training-free generation method that leverages model uncertainty through token-wise entropy distribution to reduce redundant computation and concurrently improve overall performance. EAGer allows branching to multiple reasoning paths only in the presence of high-entropy tokens, and then reallocates the saved compute budget to the instances where exploration of alternative paths is most needed. We find that across multiple open-source models on complex reasoning benchmarks such as AIME 2025, EAGer can reallocate the budget without accessing target labels, achieving the best efficiency-performance trade-off in terms of reasoning length and Pass@k. When target labels are accessible, EAGer generates up to 65% fewer tokens (hence saving compute) and achieves up to 37% improvement in Pass@k compared to the Full Parallel Sampling.
Authors: Zhengyu Chen, Jinluan Yang, Teng Xiao, Ruochen Zhou, Luan Zhang, Xiangyu Xi, Xiaowei Shi, Wei Wang, Jinggang Wang
Abstract: Recent advances in large language models (LLMs) have demonstrated remarkable capabilities in reasoning and tool utilization. However, the generalization of tool-augmented reinforcement learning (RL) across diverse domains remains underexplored. In this work, we investigate the cross-domain generalization of an LLM agent equipped with a code interpreter tool, which is exclusively trained on mathematical problem-solving tasks. Despite the restricted training domain, we evaluate the agent's performance across several distinct reasoning domains. The results reveal that RL-based tool usage learned from mathematical tasks can be effectively transferred to complex tasks in other domains, enabling great task performance and high token efficiency. To facilitate this cross-domain transfer, we propose a Tool Generalization Reinforcement Learning (TGRL) framework designed to promote domain-agnostic learning and skill migration, encompassing: (i) a standardized tool interface that abstracts domain-specific nuances through consistent formatting and explicit termination, fostering transferable invocation patterns; (ii) a dual-component reward system that decomposes rewards to incentivize generalizable behaviors like tool efficiency and reasoning abstraction, ensuring alignment and robustness across domain shifts; and (iii) an XML-based prompt template that separates thinking, tool calls, and responses to encourage modular, domain-invariant planning and coherent multi-turn interactions. Extensive experiments across diverse benchmarks validate our approach, achieving state-of-the-art performance and highlighting the cross-domain potential of Tool RL for LLM reasoning.
Authors: Xinhui Chen, Zuchao Li, Mengqi Gao, Yufeng Zhang, Chak Tou Leong, Haoyang Li, Jiaqi Chen
Abstract: Deciphering the function of unseen protein sequences is a fundamental challenge with broad scientific impact, yet most existing methods depend on task-specific adapters or large-scale supervised fine-tuning. We introduce the "Protein-as-Second-Language" framework, which reformulates amino-acid sequences as sentences in a novel symbolic language that large language models can interpret through contextual exemplars. Our approach adaptively constructs sequence-question-answer triples that reveal functional cues in a zero-shot setting, without any further training. To support this process, we curate a bilingual corpus of 79,926 protein-QA instances spanning attribute prediction, descriptive understanding, and extended reasoning. Empirically, our method delivers consistent gains across diverse open-source LLMs and GPT-4, achieving up to 17.2% ROUGE-L improvement (average +7%) and even surpassing fine-tuned protein-specific language models. These results highlight that generic LLMs, when guided with protein-as-language cues, can outperform domain-specialized models, offering a scalable pathway for protein understanding in foundation models.
Authors: Marco Pintore, Giorgio Piras, Angelo Sotgiu, Maura Pintor, Battista Biggio
Abstract: To address the extremely concerning problem of software vulnerability, system security is often entrusted to Machine Learning (ML) algorithms. Despite their now established detection capabilities, such models are limited by design to flagging the entire input source code function as vulnerable, rather than precisely localizing the concerned code lines. However, the detection granularity is crucial to support human operators during software development, ensuring that such predictions reflect the true code semantics to help debug, evaluate, and fix the detected vulnerabilities. To address this issue, recent work made progress toward improving the detector's localization ability, thus narrowing down the vulnerability detection "window" and providing more fine-grained predictions. Such approaches, however, implicitly disregard the presence of spurious correlations and biases in the data, which often predominantly influence the performance of ML algorithms. In this work, we investigate how detectors comply with this requirement by proposing an explainability-based evaluation procedure. Our approach, defined as Detection Alignment (DA), quantifies the agreement between the input source code lines that most influence the prediction and the actual localization of the vulnerability as per the ground truth. Through DA, which is model-agnostic and adaptable to different detection tasks, not limited to our use case, we analyze multiple learning-based vulnerability detectors and datasets. As a result, we show how the predictions of such models are consistently biased by non-vulnerable lines, ultimately highlighting the high impact of biases and spurious correlations. The code is available at https://github.com/pralab/vuln-localization-eval.
Authors: Nicola Albor\'e, Gabriele Di Antonio, Fabrizio Coccetti, Andrea Gabrielli
Abstract: We propose a new reservoir computing method for forecasting high-resolution spatiotemporal datasets. By combining multi-resolution inputs from coarser to finer layers, our architecture better captures both local and global dynamics. Applied to Sea Surface Temperature data, it outperforms standard parallel reservoir models in long-term forecasting, demonstrating the effectiveness of cross-layers coupling in improving predictive accuracy. Finally, we show that the optimal network dynamics in each layer become increasingly linear, revealing the slow modes propagated to subsequent layers.
Authors: Ahmed Rashwan, Keith Briggs, Chris Budd, Lisa Kreusser
Abstract: Many machine learning applications require outputs that satisfy complex, dynamic constraints. This task is particularly challenging in Graph Neural Network models due to the variable output sizes of graph-structured data. In this paper, we introduce ProjNet, a Graph Neural Network framework which satisfies input-dependant constraints. ProjNet combines a sparse vector clipping method with the Component-Averaged Dykstra (CAD) algorithm, an iterative scheme for solving the best-approximation problem. We establish a convergence result for CAD and develop a GPU-accelerated implementation capable of handling large-scale inputs efficiently. To enable end-to-end training, we introduce a surrogate gradient for CAD that is both computationally efficient and better suited for optimization than the exact gradient. We validate ProjNet on four classes of constrained optimisation problems: linear programming, two classes of non-convex quadratic programs, and radio transmit power optimization, demonstrating its effectiveness across diverse problem settings.
Authors: Jegwang Ryu, Minkyu Kim, Seungjun Shin, Hee Min Choi, Dokwan Oh, Jaeho Lee
Abstract: The efficient storage and transmission of language model weights is becoming increasingly important, as their scale and adoption continue to grow. However, as our understanding of this new data modality is limited, designing a good compression algorithm for language model weights heavily relies on manual, trial-and-error approaches. In this paper, we propose a learned compression framework that trains neural codecs directly from pretrained language model weights. Unlike conventional data (e.g., images), language model weights pose unique challenges: the sizes and shapes of weight tensors vary significantly, and the reconstruction quality must be judged by downstream model predictions rather than na\"ive MSE loss. To address this, we introduce Neural Weight Compression (NWC), a novel autoencoder-based neural codec tailored to model weight compression. The proposed method inherits the advantages of autoencoder-based codecs while incorporating three technical components: (1) column-wise tensor chunking and normalization; (2) an importance-aware training loss; (3) an inference-time error compensation mechanism guided by model outputs. Experiments on open-weight language models show that NWC achieves competitive or state-of-the-art accuracy-compression tradeoffs, with particularly strong results at 4-6 bit precisions where accuracy remains nearly on par with FP16 models.
Authors: Leonardo Di Nino, Gabriele D'Acunto, Sergio Barbarossa, Paolo Di Lorenzo
Abstract: Connection graphs (CGs) extend traditional graph models by coupling network topology with orthogonal transformations, enabling the representation of global geometric consistency. They play a key role in applications such as synchronization, Riemannian signal processing, and neural sheaf diffusion. In this work, we address the inverse problem of learning CGs directly from observed signals. We propose a principled framework based on maximum pseudo-likelihood under a consistency assumption, which enforces spectral properties linking the connection Laplacian to the underlying combinatorial Laplacian. Based on this formulation, we introduce the Structured Connection Graph Learning (SCGL) algorithm, a block-optimization procedure over Riemannian manifolds that jointly infers network topology, edge weights, and geometric structure. Our experiments show that SCGL consistently outperforms existing baselines in both topological recovery and geometric fidelity, while remaining computationally efficient.
Authors: Sujan Chakraborty, Rahul Bordoloi, Anindya Sengupta, Olaf Wolkenhauer, Saptarshi Bej
Abstract: Graph-based learning is a cornerstone for analyzing structured data, with node classification as a central task. However, in many real-world graphs, nodes lack informative feature vectors, leaving only neighborhood connectivity and class labels as available signals. In such cases, effective classification hinges on learning node embeddings that capture structural roles and topological context. We introduce a fast semi-supervised embedding framework that jointly optimizes three complementary objectives: (i) unsupervised structure preservation via scalable modularity approximation, (ii) supervised regularization to minimize intra-class variance among labeled nodes, and (iii) semi-supervised propagation that refines unlabeled nodes through random-walk-based label spreading with attention-weighted similarity. These components are unified into a single iterative optimization scheme, yielding high-quality node embeddings. On standard benchmarks, our method consistently achieves classification accuracy at par with or superior to state-of-the-art approaches, while requiring significantly less computational cost.
Authors: Davide Borghini, Davide Marchi, Angelo Nardone, Giordano Scerra, Silvia Giulia Galfr\`e, Alessandro Pingitore, Giuseppe Prencipe, Corrado Priami, Alina S\^irbu
Abstract: As clinical data are becoming increasingly available, machine learning methods have been employed to extract knowledge from them and predict clinical events. While promising, approaches suffer from at least two main issues: low availability of labelled data and data heterogeneity leading to missing values. This work proposes the use of self-supervised auto-encoders to efficiently address these challenges. We apply our methodology to a clinical dataset from patients with ischaemic heart disease. Patient data is embedded in a latent space, built using unlabelled data, which is then used to train a neural network classifier to predict cardiovascular death. Results show improved balanced accuracy compared to applying the classifier directly to the raw data, demonstrating that this solution is promising, especially in conditions where availability of unlabelled data could increase.
Authors: Jianzhe Zhao, Hailin Zhu, Yu Zhang, Ziqi Chen, Guibing Guo
Abstract: Federated efficient fine-tuning has emerged as an approach that leverages distributed data and computational resources across nodes to address the challenges of large-scale fine-tuning and privacy preservation. The Low-Rank Adaptation (LoRA) enables efficient fine-tuning of large-scale pre-trained models by introducing trainable low-rank matrices into weight updates.However, in heterogeneous data scenarios, client drift weakens the generalization of the global model, and local models often fail to meet the personalized needs of individual clients.Moreover, existing federated LoRA efficient fine-tuning techniques overlook fine-grained analysis of the tuning matrices. To address this, we conducted preliminary experiments and found that different LoRA matrices exhibit different sensitivity to changes in the direction and magnitude of their vectors.We thus propose a fine-grained federated LoRA tuning method. By fine-tuning the more sensitive directional vectors in the A matrix, which encode shared knowledge, our method learns shared features more effectively across clients and enhances global generalization. Simultaneously, by fine-tuning the more sensitive magnitude vectors in the B matrix, which encode personalized knowledge, our method better captures personalized knowledge, enabling detailed adaptation to local data. The method uses a pipeline combining global and local optimizers. Global optimization further improves local models, achieving collaborative optimization between global and local levels. This improves both the generalization ability of the global model and the personalized adaptation of local models under heterogeneous data scenarios. Experiments on Databricks-Dolly-15k and Natural Instructions with LLaMA2-7B and Deepseek-7B confirm that our method improves global performance by 0.39% and local performance by 0.59%.
Authors: Gareth Seneque, Lap-Hang Ho, Nafise Erfanian Saeedi, Jeffrey Molendijk, Ariel Kupermann, Tim Elson
Abstract: We present Entropic Mutual-Information Geometry Large-Language Model Alignment (ENIGMA), a novel approach to Large-Language Model (LLM) training that jointly improves reasoning, alignment and robustness by treating an organisation's policies/principles as directions to move on a model's information manifold. Our single-loop trainer combines Group-Relative Policy Optimisation (GRPO), an on-policy, critic-free RL method with Chain-of-Thought (CoT)-format only rewards; a Self-Supervised Alignment with Mutual Information (SAMI)-style symmetric InfoNCE auxiliary; and an entropic Sinkhorn optimal-transport regulariser on hidden-state distributions to bound geometry drift. We also introduce infoNCE metrics that specialise to a standard MI lower bound under matched negatives to measure how strongly a model's CoT encodes these policies. These metrics include a Sufficiency Index (SI) that enables the selection and creation of principles that maximise downstream performance prior to training. In our experiments using small (1B) LLMs, high-SI principles predict steadier training dynamics and improved benchmark performance over GRPO ablations. Our information-geometry analysis of trained models validates desirable structural change in the manifold. These results support our hypothesis that reasoning, alignment, and robustness are projections of a single informationgeometric objective, and that models trained using ENIGMA demonstrate principled reasoning without the use of a reward model, offering a path to trusted capability
Authors: Ning Yang, Hengyu Zhong, Haijun Zhang, Randall Berry
Abstract: Accurate spatiotemporal traffic forecasting is a critical prerequisite for proactive resource management in dense urban mobile networks. While Large Language Models (LLMs) have shown promise in time series analysis, they inherently struggle to model the complex spatial dependencies of grid-based traffic data. Effectively extending LLMs to this domain is challenging, as representing the vast amount of information from dense geographical grids can be inefficient and overwhelm the model's context. To address these challenges, we propose ST-Vision-LLM, a novel framework that reframes spatiotemporal forecasting as a vision-language fusion problem. Our approach leverages a Vision-LLM visual encoder to process historical global traffic matrices as image sequences, providing the model with a comprehensive global view to inform cell-level predictions. To overcome the inefficiency of LLMs in handling numerical data, we introduce an efficient encoding scheme that represents floating-point values as single tokens via a specialized vocabulary, coupled with a two-stage numerical alignment fine-tuning process. The model is first trained with Supervised Fine-Tuning (SFT) and then further optimized for predictive accuracy using Group Relative Policy Optimization (GRPO), a memory-efficient reinforcement learning method. Evaluations on real-world mobile traffic datasets demonstrate that ST-Vision-LLM outperforms existing methods by 15.6% in long-term prediction accuracy and exceeds the second-best baseline by over 30.04% in cross-domain few-shot scenarios. Our extensive experiments validate the model's strong generalization capabilities across various data-scarce environments.
Authors: Antoine Mouchamps, Arthur Malherbe, Adrien Bolland, Damien Ernst
Abstract: This paper presents Gym-TORAX, a Python package enabling the implementation of Reinforcement Learning (RL) environments for simulating plasma dynamics and control in tokamaks. Users define succinctly a set of control actions and observations, and a control objective from which Gym-TORAX creates a Gymnasium environment that wraps TORAX for simulating the plasma dynamics. The objective is formulated through rewards depending on the simulated state of the plasma and control action to optimize specific characteristics of the plasma, such as performance and stability. The resulting environment instance is then compatible with a wide range of RL algorithms and libraries and will facilitate RL research in plasma control. In its current version, one environment is readily available, based on a ramp-up scenario of the International Thermonuclear Experimental Reactor (ITER).
Authors: Wenbo Wu, Qingyi Si, Xiurui Pan, Ye Wang, Jie Zhang
Abstract: While Key-Value (KV) cache succeeds in reducing redundant computations in auto-regressive models, it introduces significant memory overhead, limiting its practical deployment in long-sequence scenarios. Existing KV retrieval methods mitigate this by dynamically retaining only a subset of KV entries on the GPU. However, they still suffer from notable efficiency and accuracy bottlenecks due to per-token retrieval and coarse-grained page-level KV management, especially in long-output reasoning scenarios. With the emergence of large reasoning models, efficiently handling such scenarios has become increasingly important. To address this issue, we present two key observations: (1) critical KVs exhibit strong temporal locality during decoding, and (2) these KVs exhibit distinct distribution patterns across the input prompt and generated output. Building on these observations, we propose LouisKV, an efficient KV cache retrieval framework designed for various long-sequence scenarios. Specifically, LouisKV introduces a semantic-aware retrieval strategy leveraging temporal locality to trigger retrieval only at semantic boundaries, drastically reducing computation and data transfer overhead. LouisKV also designs a decoupled, fine-grained management scheme that tailors differentiated strategies for input and output sequences to create retrieval units that better match the model's attention patterns, enabling precise identification of critical KVs. Furthermore, to boost efficiency, LouisKV incorporates several kernel-level optimizations, including custom Triton and CUDA kernels to accelerate the KV clustering and retrieval. Evaluations show that LouisKV achieves up to 4.7$\times$ speedup over state-of-the-art KV retrieval methods while maintaining near-lossless accuracy across diverse long-sequence tasks, including long-input short-output, short-input long-output, and long-input long-output scenarios.
Authors: Mayank Nagda, Phil Ostheimer, Justus Arweiler, Indra Jungjohann, Jennifer Werner, Dennis Wagner, Aparna Muraleedharan, Pouya Jafari, Jochen Schmid, Fabian Jirasek, Jakob Burger, Michael Bortz, Hans Hasse, Stephan Mandt, Marius Kloft, Sophie Fellenz
Abstract: Style transfer combines the content of one signal with the style of another. It supports applications such as data augmentation and scenario simulation, helping machine learning models generalize in data-scarce domains. While well developed in vision and language, style transfer methods for time series data remain limited. We introduce DiffTSST, a diffusion-based framework that disentangles a time series into content and style representations via convolutional encoders and recombines them through a self-supervised attention-based diffusion process. At inference, encoders extract content and style from two distinct series, enabling conditional generation of novel samples to achieve style transfer. We demonstrate both qualitatively and quantitatively that DiffTSST achieves effective style transfer. We further validate its real-world utility by showing that data augmentation with DiffTSST improves anomaly detection in data-scarce regimes.
Authors: Xingtong Yu, Ruijuan Liang, Xinming Zhang, Yuan Fang
Abstract: Real-world graph typically evolve via a series of events, modeling dynamic interactions between objects across various domains. For dynamic graph learning, dynamic graph neural networks (DGNNs) have emerged as popular solutions. Recently, prompt learning methods have been explored on dynamic graphs. However, existing methods generally focus on capturing the relationship between nodes and time, while overlooking the impact of historical events. In this paper, we propose EVP, an event-aware dynamic graph prompt learning framework that can serve as a plug-in to existing methods, enhancing their ability to leverage historical events knowledge. First, we extract a series of historical events for each node and introduce an event adaptation mechanism to align the fine-grained characteristics of these events with downstream tasks. Second, we propose an event aggregation mechanism to effectively integrate historical knowledge into node representations. Finally, we conduct extensive experiments on four public datasets to evaluate and analyze EVP.
Authors: Han Lu, Zichen Liu, Shaopan Xiong, Yancheng He, Wei Gao, Yanan Wu, Weixun Wang, Jiashun Liu, Yang Li, Haizhou Zhao, Ju Huang, Siran Yang, Xiaoyang Li, Yijia Luo, Zihe Liu, Ling Pan, Junchi Yan, Wei Wang, Wenbo Su, Jiamang Wang, Lin Qu, Bo Zheng
Abstract: Synchronous Reinforcement Learning (RL) post-training has emerged as a crucial step for enhancing Large Language Models (LLMs) with diverse capabilities. However, many systems designed to accelerate RL post-training still suffer from low resource utilization and limited scalability. We present ROLL Flash, a system that extends ROLL with native support for asynchronous RL post-training. ROLL Flash is built upon two core design principles: fine-grained parallelism and rollout-train decoupling. Guided by these principles, ROLL Flash provides flexible programming interfaces that enable a fully asynchronous training architecture and support efficient rollout mechanisms, including queue scheduling and environment-level asynchronous execution. Through comprehensive theoretical analysis and extensive experiments, we demonstrate that ROLL Flash significantly improves resource utilization and scalability over synchronous RL post-training. ROLL Flash achieves up to 2.24x speedup on RLVR tasks and 2.72x on agentic tasks, using the same GPU budget as synchronous baselines. Furthermore, we implement several popular off-policy algorithms and verify that asynchronous training can achieve performance on par with synchronous training.
Authors: Etzion Harari, Moshe Unger
Abstract: Graph Neural Networks (GNNs) have demonstrated remarkable success in node classification tasks over relational data, yet their effectiveness often depends on the availability of complete node features. In many real-world scenarios, however, feature matrices are highly sparse or contain sensitive information, leading to degraded performance and increased privacy risks. Furthermore, direct exposure of information can result in unintended data leakage, enabling adversaries to infer sensitive information. To address these challenges, we propose a novel Multi-view Feature Propagation (MFP) framework that enhances node classification under feature sparsity while promoting privacy preservation. MFP extends traditional Feature Propagation (FP) by dividing the available features into multiple Gaussian-noised views, each propagating information independently through the graph topology. The aggregated representations yield expressive and robust node embeddings. This framework is novel in two respects: it introduces a mechanism that improves robustness under extreme sparsity, and it provides a principled way to balance utility with privacy. Extensive experiments conducted on graph datasets demonstrate that MFP outperforms state-of-the-art baselines in node classification while substantially reducing privacy leakage. Moreover, our analysis demonstrates that propagated outputs serve as alternative imputations rather than reconstructions of the original features, preserving utility without compromising privacy. A comprehensive sensitivity analysis further confirms the stability and practical applicability of MFP across diverse scenarios. Overall, MFP provides an effective and privacy-aware framework for graph learning in domains characterized by missing or sensitive features.
Authors: Xuan Tang, Han Zhang, Yuan Cao, Difan Zou
Abstract: Adam is a popular and widely used adaptive gradient method in deep learning, which has also received tremendous focus in theoretical research. However, most existing theoretical work primarily analyzes its full-batch version, which differs fundamentally from the stochastic variant used in practice. Unlike SGD, stochastic Adam does not converge to its full-batch counterpart even with infinitesimal learning rates. We present the first theoretical characterization of how batch size affects Adam's generalization, analyzing two-layer over-parameterized CNNs on image data. Our results reveal that while both Adam and AdamW with proper weight decay $\lambda$ converge to poor test error solutions, their mini-batch variants can achieve near-zero test error. We further prove Adam has a strictly smaller effective weight decay bound than AdamW, theoretically explaining why Adam requires more sensitive $\lambda$ tuning. Extensive experiments validate our findings, demonstrating the critical role of batch size and weight decay in Adam's generalization performance.
Authors: Razvan Marinescu, Victoria-Elisabeth Gruber, Diego Fajardo
Abstract: We present a systematic study of medical-domain interpretability in Large Language Models (LLMs). We study how the LLMs both represent and process medical knowledge through four different interpretability techniques: (1) UMAP projections of intermediate activations, (2) gradient-based saliency with respect to the model weights, (3) layer lesioning/removal and (4) activation patching. We present knowledge maps of five LLMs which show, at a coarse-resolution, where knowledge about patient's ages, medical symptoms, diseases and drugs is stored in the models. In particular for Llama3.3-70B, we find that most medical knowledge is processed in the first half of the model's layers. In addition, we find several interesting phenomena: (i) age is often encoded in a non-linear and sometimes discontinuous manner at intermediate layers in the models, (ii) the disease progression representation is non-monotonic and circular at certain layers of the model, (iii) in Llama3.3-70B, drugs cluster better by medical specialty rather than mechanism of action, especially for Llama3.3-70B and (iv) Gemma3-27B and MedGemma-27B have activations that collapse at intermediate layers but recover by the final layers. These results can guide future research on fine-tuning, un-learning or de-biasing LLMs for medical tasks by suggesting at which layers in the model these techniques should be applied.
Authors: Kahou Tam, Chunlin Tian, Li Li, Haikai Zhao, ChengZhong Xu
Abstract: Federated Learning (FL) emerges as a new learning paradigm that enables multiple devices to collaboratively train a shared model while preserving data privacy. However, one fundamental and prevailing challenge that hinders the deployment of FL on mobile devices is the memory limitation. This paper proposes \textit{FedHybrid}, a novel framework that effectively reduces the memory footprint during the training process while guaranteeing the model accuracy and the overall training progress. Specifically, \textit{FedHybrid} first selects the participating devices for each training round by jointly evaluating their memory budget, computing capability, and data diversity. After that, it judiciously analyzes the computational graph and generates an execution plan for each selected client in order to meet the corresponding memory budget while minimizing the training delay through employing a hybrid of recomputation and compression techniques according to the characteristic of each tensor. During the local training process, \textit{FedHybrid} carries out the execution plan with a well-designed activation compression technique to effectively achieve memory reduction with minimum accuracy loss. We conduct extensive experiments to evaluate \textit{FedHybrid} on both simulation and off-the-shelf mobile devices. The experiment results demonstrate that \textit{FedHybrid} achieves up to a 39.1\% increase in model accuracy and a 15.5$\times$ reduction in wall clock time under various memory budgets compared with the baselines.
Authors: Lucas Joos, Daniel A. Keim, Maximilian T. Fischer
Abstract: The creation of systematic literature reviews (SLR) is critical for analyzing the landscape of a research field and guiding future research directions. However, retrieving and filtering the literature corpus for an SLR is highly time-consuming and requires extensive manual effort, as keyword-based searches in digital libraries often return numerous irrelevant publications. In this work, we propose a pipeline leveraging multiple large language models (LLMs), classifying papers based on descriptive prompts and deciding jointly using a consensus scheme. The entire process is human-supervised and interactively controlled via our open-source visual analytics web interface, LLMSurver, which enables real-time inspection and modification of model outputs. We evaluate our approach using ground-truth data from a recent SLR comprising over 8,000 candidate papers, benchmarking both open and commercial state-of-the-art LLMs from mid-2024 and fall 2025. Results demonstrate that our pipeline significantly reduces manual effort while achieving lower error rates than single human annotators. Furthermore, modern open-source models prove sufficient for this task, making the method accessible and cost-effective. Overall, our work demonstrates how responsible human-AI collaboration can accelerate and enhance systematic literature reviews within academic workflows.
Authors: Xinyan Guan, Yongfan Lai, Jiarui Jin, Jun Li, Haoyu Wang, Qinghao Zhao, Deyun Zhang, Shijia Geng, Shenda Hong
Abstract: Twelve-lead electrocardiograms (ECGs) are the clinical gold standard for cardiac diagnosis, providing comprehensive spatial coverage of the heart necessary to detect conditions such as myocardial infarction (MI). However, their lack of portability limits continuous and large-scale use. Three-lead ECG systems are widely used in wearable devices due to their simplicity and mobility, but they often fail to capture pathologies in unmeasured regions. To address this, we propose WearECG, a Variational Autoencoder (VAE) method that reconstructs twelve-lead ECGs from three leads: II, V1, and V5. Our model includes architectural improvements to better capture temporal and spatial dependencies in ECG signals. We evaluate generation quality using MSE, MAE, and Frechet Inception Distance (FID), and assess clinical validity via a Turing test with expert cardiologists. To further validate diagnostic utility, we fine-tune ECGFounder, a large-scale pretrained ECG model, on a multi-label classification task involving over 40 cardiac conditions, including six different myocardial infarction locations, using both real and generated signals. Experiments on the MIMIC dataset show that our method produces physiologically realistic and diagnostically informative signals, with robust performance in downstream tasks. This work demonstrates the potential of generative modeling for ECG reconstruction and its implications for scalable, low-cost cardiac screening.
Authors: Sarthak Mittal, Divyat Mahajan, Guillaume Lajoie, Mohammad Pezeshki
Abstract: Modern learning systems increasingly rely on amortized learning - the idea of reusing computation or inductive biases shared across tasks to enable rapid generalization to novel problems. This principle spans a range of approaches, including meta-learning, in-context learning, prompt tuning, learned optimizers and more. While motivated by similar goals, these approaches differ in how they encode and leverage task-specific information, often provided as in-context examples. In this work, we propose a unified framework which describes how such methods differ primarily in the aspects of learning they amortize - such as initializations, learned updates, or predictive mappings - and how they incorporate task data at inference. We introduce a taxonomy that categorizes amortized models into parametric, implicit, and explicit regimes, based on whether task adaptation is externalized, internalized, or jointly modeled. Building on this view, we identify a key limitation in current approaches: most methods struggle to scale to large datasets because their capacity to process task data at inference (e.g., context length) is often limited. To address this, we propose iterative amortized inference, a class of models that refine solutions step-by-step over mini-batches, drawing inspiration from stochastic optimization. Our formulation bridges optimization-based meta-learning with forward-pass amortization in models like LLMs, offering a scalable and extensible foundation for general-purpose task adaptation.
Authors: Yanjie Zhu, Zhen Zhang, Yunli Wang, Zhiqiang Wang, Yu Li, Rufan Zhou, Shiyang Wen, Peng Jiang, Chenhao Lin, Jian Yang
Abstract: Cascade ranking is a widely adopted paradigm in large-scale information retrieval systems for Top-K item selection. However, the Top-K operator is non-differentiable, hindering end-to-end training. Existing methods include Learning-to-Rank approaches (e.g., LambdaLoss), which optimize ranking metrics like NDCG and suffer from objective misalignment, and differentiable sorting-based methods (e.g., ARF, LCRON), which relax permutation matrices for direct Top-K optimization but introduce gradient conflicts through matrix aggregation. A promising alternative is to directly construct a differentiable approximation of the Top-K selection operator, bypassing the use of soft permutation matrices. However, even state-of-the-art differentiable Top-K operator (e.g., LapSum) require $O(n \log n)$ complexity due to their dependence on sorting for solving the threshold. Thus, we propose DFTopK, a novel differentiable Top-K operator achieving optimal $O(n)$ time complexity. By relaxing normalization constraints, DFTopK admits a closed-form solution and avoids sorting. DFTopK also avoids the gradient conflicts inherent in differentiable sorting-based methods. We evaluate DFTopK on both the public benchmark RecFLow and an industrial system. Experimental results show that DFTopK significantly improves training efficiency while achieving superior performance, which enables us to scale up training samples more efficiently. In the online A/B test, DFTopK yielded a +1.77\% revenue lift with the same computational budget compared to the baseline. To the best of our knowledge, this work is the first to introduce differentiable Top-K operators into recommendation systems and the first to achieve theoretically optimal linear-time complexity for Top-K selection. We have open-sourced our implementation to facilitate future research in both academia and industry.
Authors: Lion Mueller, Alberto Garcia-Ortiz, Ardalan Najafi, Adam Fuks, Lennart Bamberg
Abstract: Integer AI inference significantly reduces computational complexity in embedded systems. Quantization-aware training (QAT) helps mitigate accuracy degradation associated with post-training quantization but still overlooks the impact of integer rescaling during inference, which is a hardware costly operation in integer-only AI inference. This work shows that rescaling cost can be dramatically reduced post-training, by applying a stronger quantization to the rescale multiplicands at no model-quality loss. Furthermore, we introduce Rescale-Aware Training, a fine tuning method for ultra-low bit-width rescaling multiplicands. Experiments show that even with 8x reduced rescaler widths, the full accuracy is preserved through minimal incremental retraining. This enables more energy-efficient and cost-efficient AI inference for resource-constrained embedded systems.
Authors: Nikolaos Tsilivis, Eran Malach, Karen Ullrich, Julia Kempe
Abstract: Recent advances in reasoning domains with neural networks have primarily been enabled by a training recipe that optimizes Large Language Models, previously trained to predict the next-token in a sequence, with reinforcement learning algorithms. We introduce a framework to study the success of this paradigm, and we theoretically expose the optimization mechanisms by which reinforcement learning improves over next-token prediction in this setting. We study learning from mixture distributions of short and long ``chain-of-thought'' sequences encoding a single task. In particular, when the task consists of predicting the parity of $d$ bits and long sequences are rare, we show how reinforcement learning after next-token prediction enables autoregressive transformers to generalize, whereas mere next-token prediction requires extreme statistical or computational resources to do so. We further explain how reinforcement learning leverages increased test-time computation, manifested in longer responses, to facilitate this learning process. In a simplified setting, we theoretically prove that autoregressive linear models following this training recipe can efficiently learn to predict the parity of $d$ bits as long as the proportion of long demonstrations in the data mix is not exponentially small in the input dimension $d$. Finally, we demonstrate these same phenomena in other settings, including the post-training of Llama-series models on mixture variations of common mathematical reasoning benchmarks.
Authors: Yuhang Li, Chenchen Zhang, Ruilin Lv, Ao Liu, Ken Deng, Yuanxing Zhang, Jiaheng Liu, Wiggin Zhou, Bo Zhou
Abstract: While Large Language Models (LLMs) excel at algorithmic code generation, they struggle with front-end development, where correctness is judged on rendered pixels and interaction. We present ReLook, an agentic, vision-grounded reinforcement learning framework that empowers an agent to close a robust generate--diagnose--refine loop by invoking a multimodal LLM (MLLM) as a tool. During training, the agent uses the MLLM-in-the-loop both as a visual critic--scoring code with screenshots--and as a source of actionable, vision-grounded feedback; a strict zero-reward rule for invalid renders anchors renderability and prevents reward hacking. To prevent behavioral collapse, we introduce Forced Optimization, a strict acceptance rule that admits only improving revisions, yielding monotonically better trajectories. At inference, we decouple the critic and run a lightweight, critic-free self-edit cycle, keeping latency comparable to base decoding while retaining most of the gains. Across three widely used benchmarks, ReLook consistently outperforms strong baselines in vision-grounded front-end code generation, highlighting the benefits of agentic perception, visual rewards, and training-inference decoupling.
Authors: Xinsong Feng, Leshu Tang, Chenan Wang, Haipeng Chen
Abstract: Generative models have emerged as a powerful class of policies for offline reinforcement learning (RL) due to their ability to capture complex, multi-modal behaviors. However, existing methods face a stark trade-off: slow, iterative models like diffusion policies are computationally expensive, while fast, single-step models like consistency policies often suffer from degraded performance. In this paper, we demonstrate that it is possible to bridge this gap. The key to moving beyond the limitations of individual methods, we argue, lies in a unifying perspective that views modern generative models, including diffusion, flow matching, and consistency models, as specific instances of learning a continuous-time generative trajectory governed by an Ordinary Differential Equation (ODE). This principled foundation provides a clearer design space for generative policies in RL and allows us to propose Generative Trajectory Policies (GTPs), a new and more general policy paradigm that learns the entire solution map of the underlying ODE. To make this paradigm practical for offline RL, we further introduce two key theoretically principled adaptations. Empirical results demonstrate that GTP achieves state-of-the-art performance on D4RL benchmarks - it significantly outperforms prior generative policies, achieving perfect scores on several notoriously hard AntMaze tasks.
Authors: Emran Yasser Moustafa, Ivana Dusparic
Abstract: Autonomous vehicles have shown promising potential to be a groundbreaking technology for improving the safety of road users. For these vehicles, as well as many other safety-critical robotic technologies, to be deployed in real-world applications, we require algorithms that can generalize well to unseen scenarios and data. Model-based reinforcement learning algorithms (MBRL) have demonstrated state-of-the-art performance and data efficiency across a diverse set of domains. However, these algorithms have also shown susceptibility to changes in the environment and its transition dynamics. In this work, we explore the performance and generalization capabilities of MBRL algorithms for autonomous driving, specifically in the simulated autonomous racing environment, Roboracer (formerly F1Tenth). We frame the head-to-head racing task as a learning problem using contextual Markov decision processes and parameterize the driving behavior of the adversaries using the context of the episode, thereby also parameterizing the transition and reward dynamics. We benchmark the behavior of MBRL algorithms in this environment and propose a novel context-aware extension of the existing literature, cMask. We demonstrate that context-aware MBRL algorithms generalize better to out-of-distribution adversary behaviors relative to context-free approaches. We also demonstrate that cMask displays strong generalization capabilities, as well as further performance improvement relative to other context-aware MBRL approaches when racing against adversaries with in-distribution behaviors.
Authors: Alexis Ross, Jacob Andreas
Abstract: Research on reasoning in language models (LMs) predominantly focuses on improving the correctness of their outputs. But some important applications require modeling reasoning patterns that are incorrect. For example, automated systems that can reason about and simulate student errors are useful for providing real-time feedback in the classroom or offline practice for educators-in-training. This paper presents a new method, MISTAKE, that (1) constructs high-quality synthetic examples of reasoning errors by leveraging cycle consistency between incorrect answers and latent misconceptions; and (2) uses the generated data to learn models for student simulation, misconception classification, and answer generation. We evaluate MISTAKE on three educational tasks and find that it results in (1) higher accuracy when simulating incorrect student answers based on specific misconceptions, (2) increased performance inferring latent misconceptions from observed incorrect answers, and (3) higher alignment with expert-written distractor answers when generating incorrect answers (e.g., for multiple-choice tests).
Authors: Aleksei Rozanov, Samikshya Subedi, Vasudha Sharma, Bryan C. Runck
Abstract: Evapotranspiration (ET) plays a critical role in the land-atmosphere interactions, yet its accurate quantification across various spatiotemporal scales remains a challenge. In situ measurement approaches, like eddy covariance (EC) or weather station-based ET estimation, allow for measuring ET at a single location. Agricultural uses of ET require estimates for each field over broad areas, making it infeasible to deploy sensing systems at each location. This study integrates tree-based and knowledge-guided machine learning (ML) techniques with multispectral remote sensing data, griddled meteorology and EC data to upscale ET across the Midwest United States. We compare four tree-based models - Random Forest, CatBoost, XGBoost, LightGBM - and a simple feed-forward artificial neural network in combination with features engineered using knowledge-guided ML principles. Models were trained and tested on EC towers located in the Midwest of the United States using k-fold cross validation with k=5 and site-year, biome stratified train-test split to avoid data leakage. Results show that LightGBM with knowledge-guided features outperformed other methods with an R2=0.86, MSE=14.99 W m^-2 and MAE = 8.82 W m^-2 according to grouped k-fold validation (k=5). Feature importance analysis shows that knowledge-guided features were most important for predicting evapotranspiration. Using the best performing model, we provide a data product at 500 m spatial and one-day temporal resolution for gridded ET for the period of 2019-2024. Intercomparison between the new gridded product and state-level weather station-based ET estimates show best-in-class correspondence.
Authors: Yuchen Yan, Zhihua Liu, Hao Wang, Weiming Li, Xiaoshuai Hao
Abstract: Retrieval-augmented generation (RAG) has demonstrated its ability to enhance Large Language Models (LLMs) by integrating external knowledge sources. However, multi-hop questions, which require the identification of multiple knowledge targets to form a synthesized answer, raise new challenges for RAG systems. Under the multi-hop settings, existing methods often struggle to fully understand the questions with complex semantic structures and are susceptible to irrelevant noise during the retrieval of multiple information targets. To address these limitations, we propose a novel graph representation learning framework for multi-hop question retrieval. We first introduce a Multi-information Level Knowledge Graph (Multi-L KG) to model various information levels for a more comprehensive understanding of multi-hop questions. Based on this, we design a Query-Specific Graph Neural Network (QSGNN) for representation learning on the Multi-L KG. QSGNN employs intra/inter-level message passing mechanisms, and in each message passing the information aggregation is guided by the query, which not only facilitates multi-granular information aggregation but also significantly reduces the impact of noise. To enhance its ability to learn robust representations, we further propose two synthesized data generation strategies for pre-training the QSGNN. Extensive experimental results demonstrate the effectiveness of our framework in multi-hop scenarios, especially in high-hop questions the improvement can reach 33.8\%. The code is available at: https://github.com/Jerry2398/QSGNN.
Authors: Caglar Demir, Alkid Baci, N'Dah Jean Kouagou, Leonie Nora Sieger, Stefan Heindorf, Simon Bin, Lukas Bl\"ubaum, Alexander Bigerl, Axel-Cyrille Ngonga Ngomo
Abstract: In this paper, we present Ontolearn-a framework for learning OWL class expressions over large knowledge graphs. Ontolearn contains efficient implementations of recent stateof-the-art symbolic and neuro-symbolic class expression learners including EvoLearner and DRILL. A learned OWL class expression can be used to classify instances in the knowledge graph. Furthermore, Ontolearn integrates a verbalization module based on an LLM to translate complex OWL class expressions into natural language sentences. By mapping OWL class expressions into respective SPARQL queries, Ontolearn can be easily used to operate over a remote triplestore. The source code of Ontolearn is available at https://github.com/dice-group/Ontolearn.
Authors: Zihao Zhao, Christopher Yeh, Lingkai Kong, Kai Wang
Abstract: Decision-focused learning (DFL) integrates predictive modeling and optimization by training predictors to optimize the downstream decision target rather than merely minimizing prediction error. To date, existing DFL methods typically rely on deterministic point predictions, which are often insufficient to capture the intrinsic stochasticity of real-world environments. To address this challenge, we propose the first diffusion-based DFL approach, which trains a diffusion model to represent the distribution of uncertain parameters and optimizes the decision by solving a stochastic optimization with samples drawn from the diffusion model. Our contributions are twofold. First, we formulate diffusion DFL using the reparameterization trick, enabling end-to-end training through diffusion. While effective, it is memory and compute-intensive due to the need to differentiate through the diffusion sampling process. Second, we propose a lightweight score function estimator that uses only several forward diffusion passes and avoids backpropagation through the sampling. This follows from our results that backpropagating through stochastic optimization can be approximated by a weighted score function formulation. We empirically show that our diffusion DFL approach consistently outperforms strong baselines in decision quality. The source code for all experiments is available at the project repository: https://github.com/GT-KOALA/Diffusion_DFL.
Authors: Elliot L. Epstein, Rose Wang, Jaewon Choi, Markus Pelger
Abstract: Statistical arbitrage exploits temporal price differences between similar assets. We develop a framework to jointly identify similar assets through factors, identify mispricing and form a trading policy that maximizes risk-adjusted performance after trading costs. Our Attention Factors are conditional latent factors that are the most useful for arbitrage trading. They are learned from firm characteristic embeddings that allow for complex interactions. We identify time-series signals from the residual portfolios of our factors with a general sequence model. Estimating factors and the arbitrage trading strategy jointly is crucial to maximize profitability after trading costs. In a comprehensive empirical study we show that our Attention Factor model achieves an out-of-sample Sharpe ratio above 4 on the largest U.S. equities over a 24-year period. Our one-step solution yields an unprecedented Sharpe ratio of 2.3 net of transaction costs. We show that weak factors are important for arbitrage trading.
Authors: Prasanna Mayilvahanan, Ricardo Dominguez-Olmedo, Thadd\"aus Wiedemer, Wieland Brendel
Abstract: With the advent of DeepSeek-R1, a new wave of reinforcement learning (RL) methods has emerged that seem to unlock stronger mathematical reasoning. However, a closer look at the open-source ecosystem reveals a critical limitation: with sufficiently many draws (e.g., $\texttt{pass@1024}$), many existing base models already solve nearly all questions on widely used math benchmarks such as MATH-500 and AIME 2024. This suggests that the RL fine-tuning methods prevalent in the LLM reasoning literature largely sharpen existing solution modes rather than discovering entirely new ones. Such sharpening stands in contrast to the broader promise of RL: to foster exploration and to acquire new skills. To move beyond this plateau, we introduce MATH-Beyond (MATH-B), a benchmark deliberately constructed to defeat common open-source models of up to 8B parameters even under large sampling budgets. Improving performance on our benchmark via RL requires methods that learn to reason in ways that go beyond base model capabilities in repeated sampling. Since the problems are drawn from subsets of DAPO-Math-17K and DeepScaleR datasets, they remain topically equivalent to standard high-school math. Validating our premise, RL fine-tuned models such as Nemotron-Research-Reasoning-Qwen-1.5B and DeepScaleR-1.5B-Preview perform poorly on MATH-B at $\texttt{pass@1024}$, showing how existing approaches fall short on tackling harder instances. We hope MATH-B will catalyze exploration-driven RL approaches that elicit deeper reasoning capabilities. We release MATH-B at https://huggingface.co/datasets/brendel-group/MATH-Beyond.
URLs: https://huggingface.co/datasets/brendel-group/MATH-Beyond.
Authors: Panos Tsimpos, Youssef Marzouk
Abstract: We study dynamic measure transport for generative modeling: specifically, flows induced by stochastic processes that bridge a specified source and target distribution. The conditional expectation of the process' velocity defines an ODE whose flow map achieves the desired transport. We ask \emph{which processes produce straight-line flows} -- i.e., flows whose pointwise acceleration vanishes and thus are exactly integrable with a first-order method? We provide a concise PDE characterization of straightness as a balance between conditional acceleration and the divergence of a weighted covariance (Reynolds) tensor. Using this lens, we fully characterize affine-in-time interpolants and show that straightness occurs exactly under deterministic endpoint couplings. We also derive necessary conditions that constrain flow geometry for general processes, offering broad guidance for designing transports that are easier to integrate.
Authors: Songrun He, Linying Lv, Asaf Manela, Jimmy Wu
Abstract: We introduce a family of chronologically consistent, instruction-following large language models to eliminate lookahead bias. Each model is trained only on data available before a clearly defined knowledge-cutoff date, ensuring strict temporal separation from any post-cutoff data. The resulting framework offers (i) a simple, conversational chat interface, (ii) fully open, fixed model weights that guarantee replicability, and (iii) a conservative lower bound on forecast accuracy, isolating the share of predictability that survives once training leakage is removed. Together, these features provide researchers with an easy-to-use generative AI tool useful for a wide range of prediction tasks that is free of lookahead bias.
Authors: Nianyi Lin, Jiajie Zhang, Lei Hou, Juanzi Li
Abstract: A key challenge in applying reinforcement learning (RL) to diffusion large language models (dLLMs) lies in the intractability of their likelihood functions, which are essential for the RL objective, necessitating corresponding approximation in each training step. While existing methods approximate the log-likelihoods by their evidence lower bounds (ELBOs) via customized Monte Carlo (MC) sampling, the forward computational graphs of all MC samples need to be retained for the gradient computation of non-linear terms in the RL objective, resulting in significant memory overhead. This constraint restricts feasible sample sizes, leading to imprecise likelihood approximations and ultimately distorting the RL objective. To overcome this limitation, we propose \emph{Boundary-Guided Policy Optimization} (BGPO), a memory-efficient RL algorithm that maximizes a specially constructed lower bound of the ELBO-based objective. This lower bound is carefully designed to satisfy two key properties: (1) Linearity: it is formulated in a linear sum where each term depends only on a single MC sample, thereby enabling gradient accumulation across samples and ensuring constant memory usage; (2) Equivalence: Both the value and gradient of this lower bound are equal to those of the ELBO-based objective in on-policy training, making it also an effective approximation for the original RL objective. These properties allow BGPO to adopt a large MC sample size, resulting in more accurate likelihood approximations and improved RL objective estimation, which in turn leads to enhanced performance. Experiments show that BGPO significantly outperforms previous RL algorithms for dLLMs in math problem solving, code generation, and planning tasks.
Authors: Jens Tuyls, Dylan J. Foster, Akshay Krishnamurthy, Jordan T. Ash
Abstract: Reinforcement learning (RL) promises to expand the capabilities of language models, but it is unclear if current RL techniques promote the discovery of novel behaviors, or simply sharpen those already present in the base model. In this paper, we investigate the value of deliberate exploration -- explicitly incentivizing the model to discover novel and diverse behaviors -- and aim to understand how the knowledge in pre-trained models can guide this search. Our main finding is that exploration with a simple, principled, representation-based bonus derived from the pre-trained language model's hidden states significantly improves diversity and pass@k rates -- both for post-training, and in a novel inference-time scaling setting we introduce. For inference-time, exploration with representation-based diversity improves efficiency, consistently improving pass@k rates across a variety of models and reasoning tasks. For example, for Qwen-2.5-14b-Instruct we obtain over 50% improvement in verifier efficiency on almost all tasks. For post-training, we show that integrating this exploration strategy into an RL pipeline improves reasoning performance over that of the initial model and over standard RL post-training. For example, on AIME 2024, our post-trained Qwen-2.5-7b-Instruct's pass@80 matches the pass@256 of GRPO on the same model, demonstrating a 3x improvement in test-time sample efficiency. Overall, our findings suggest that deliberate exploration -- with the right notion of diversity -- is a practical path toward discovery of new behaviors beyond sharpening.
Authors: Taira Tsuchiya
Abstract: In two-player zero-sum games, the learning dynamic based on optimistic Hedge achieves one of the best-known regret upper bounds among strongly-uncoupled learning dynamics. With an appropriately chosen learning rate, the social and individual regrets can be bounded by $O(\log(mn))$ in terms of the numbers of actions $m$ and $n$ of the two players. This study investigates the optimality of the dependence on $m$ and $n$ in the regret of optimistic Hedge. To this end, we begin by refining existing regret analysis and show that, in the strongly-uncoupled setting where the opponent's number of actions is known, both the social and individual regret bounds can be improved to $O(\sqrt{\log m \log n})$. In this analysis, we express the regret upper bound as an optimization problem with respect to the learning rates and the coefficients of certain negative terms, enabling refined analysis of the leading constants. We then show that the existing social regret bound as well as these new social and individual regret upper bounds cannot be further improved for optimistic Hedge by providing algorithm-dependent individual regret lower bounds. Importantly, these social regret upper and lower bounds match exactly including the constant factor in the leading term. Finally, building on these results, we improve the last-iterate convergence rate and the dynamic regret of a learning dynamic based on optimistic Hedge, and complement these bounds with algorithm-dependent dynamic regret lower bounds that match the improved bounds.
Authors: Wei Huang, Yi Ge, Shuai Yang, Yicheng Xiao, Huizi Mao, Yujun Lin, Hanrong Ye, Sifei Liu, Ka Chun Cheung, Hongxu Yin, Yao Lu, Xiaojuan Qi, Song Han, Yukang Chen
Abstract: We propose QeRL, a Quantization-enhanced Reinforcement Learning framework for large language models (LLMs). While RL is essential for LLMs' reasoning capabilities, it is resource-intensive, requiring substantial GPU memory and long rollout durations. QeRL addresses these issues by combining NVFP4 quantization with Low-Rank Adaptation (LoRA), accelerating rollout phase of RL while reducing memory overhead. Beyond efficiency, our findings show that quantization noise increases policy entropy, enhancing exploration, and enabling the discovery of better strategies during RL. To further optimize exploration, QeRL introduces an Adaptive Quantization Noise (AQN) mechanism, which dynamically adjusts noise during training. Experiments demonstrate that QeRL delivers over 1.5 times speedup in the rollout phase. Moreover, this is the first framework to enable RL training of a 32B LLM on a single H100 80GB GPU, while delivering overall speedups for RL training. It also achieves faster reward growth and higher final accuracy than 16-bit LoRA and QLoRA, while matching the performance of full-parameter fine-tuning on mathematical benchmarks such as GSM8K (90.8%) and MATH 500 (77.4%) in the 7B model. These results establish QeRL as an efficient and effective framework for RL training in LLMs.
Authors: Edward Stevinson, Lucas Prieto, Melih Barsbey, Tolga Birdal
Abstract: Fundamental questions remain about when and why adversarial examples arise in neural networks, with competing views characterising them either as artifacts of the irregularities in the decision landscape or as products of sensitivity to non-robust input features. In this paper, we instead argue that adversarial vulnerability can stem from efficient information encoding in neural networks. Specifically, we show how superposition - where networks represent more features than they have dimensions - creates arrangements of latent representations that adversaries can exploit. We demonstrate that adversarial perturbations leverage interference between superposed features, making attack patterns predictable from feature arrangements. Our framework provides a mechanistic explanation for two known phenomena: adversarial attack transferability between models with similar training regimes and class-specific vulnerability patterns. In synthetic settings with precisely controlled superposition, we establish that superposition suffices to create adversarial vulnerability. We then demonstrate that these findings persist in a ViT trained on CIFAR-10. These findings reveal adversarial vulnerability can be a byproduct of networks' representational compression, rather than flaws in the learning process or non-robust inputs.
Authors: Sanghyeok Choi, Sarthak Mittal, V\'ictor Elvira, Jinkyoo Park, Nikolay Malkin
Abstract: This paper proposes a synergy of amortised and particle-based methods for sampling from distributions defined by unnormalised density functions. We state a connection between sequential Monte Carlo (SMC) and neural sequential samplers trained by maximum-entropy reinforcement learning (MaxEnt RL), wherein learnt sampling policies and value functions define proposal kernels and twist functions. Exploiting this connection, we introduce an off-policy RL training procedure for the sampler that uses samples from SMC -- using the learnt sampler as a proposal -- as a behaviour policy that better explores the target distribution. We describe techniques for stable joint training of proposals and twist functions and an adaptive weight tempering scheme to reduce training signal variance. Furthermore, building upon past attempts to use experience replay to guide the training of neural samplers, we derive a way to combine historical samples with annealed importance sampling weights within a replay buffer. On synthetic multi-modal targets (in both continuous and discrete spaces) and the Boltzmann distribution of alanine dipeptide conformations, we demonstrate improvements in approximating the true distribution as well as training stability compared to both amortised and Monte Carlo methods.
Authors: Chenhan Lyu, Yutong Song, Pengfei Zhang, Amir M. Rahmani
Abstract: Mental health applications have emerged as a critical area in computational health, driven by rising global rates of mental illness, the integration of AI in psychological care, and the need for scalable solutions in underserved communities. These include therapy chatbots, crisis detection, and wellness platforms handling sensitive data, requiring specialized AI safety beyond general safeguards due to emotional vulnerability, risks like misdiagnosis or symptom exacerbation, and precise management of vulnerable states to avoid severe outcomes such as self-harm or loss of trust. Despite AI safety advances, general safeguards inadequately address mental health-specific challenges, including crisis intervention accuracy to avert escalations, therapeutic guideline adherence to prevent misinformation, scale limitations in resource-constrained settings, and adaptation to nuanced dialogues where generics may introduce biases or miss distress signals. We introduce an approach to apply Constitutional AI training with domain-specific mental health principles for safe, domain-adapted CAI systems in computational mental health applications.
Authors: Michel Youssef (Independent Researcher)
Abstract: We present a risk-calibrated approach to streaming intrusion detection that couples Bayesian Online Changepoint Detection (BOCPD) with decision thresholds aligned to Site Reliability Engineering (SRE) error budgets. BOCPD provides run-length posteriors that adapt to distribution shift and concept drift; we map these posteriors to alert decisions by optimizing expected operational cost under false-positive and false-negative budgets. We detail the hazard model, conjugate updates, and an O(1)-per-event implementation. A concrete SRE example shows how a 99.9% availability SLO (43.2 minutes per month error budget) yields a probability threshold near 0.91 when missed incidents are 10x more costly than false alarms. We evaluate on the full UNSW-NB15 and CIC-IDS2017 benchmarks with chronological splits, comparing against strong unsupervised baselines (ECOD, COPOD, and LOF). Metrics include PR-AUC, ROC-AUC, Brier score, calibration reliability diagrams, and detection latency measured in events. Results indicate improved precision-recall at mid to high recall and better probability calibration relative to baselines. We release implementation details, hyperparameters, and ablations for hazard sensitivity and computational footprint. Code and reproducibility materials will be made available upon publication; datasets and implementation are available from the corresponding author upon reasonable request.
Authors: Vahid Negahdari, Shirin Samadi Bahrami, Seyed Reza Moghadasi, Mohammad Reza Razvan
Abstract: Gravity inversion is the problem of estimating subsurface density distributions from observed gravitational field data. We consider the two-dimensional (2D) case, in which recovering density models from one-dimensional (1D) measurements leads to an underdetermined system with substantially more model parameters than measurements, making the inversion ill-posed and non-unique. Recent advances in machine learning have motivated data-driven approaches for gravity inversion. We first design a convolutional neural network (CNN) trained to directly map gravity anomalies to density fields, where a customized data structure is introduced to enhance the inversion performance. To further investigate generative modeling, we employ Variational Autoencoders (VAEs) and Generative Adversarial Networks (GANs), reformulating inversion as a latent-space optimization constrained by the forward operator. In addition, we assess whether classical iterative solvers such as Gradient Descent (GD), GMRES, LGMRES, and a recently proposed Improved Conjugate Gradient (ICG) method can refine CNN-based initial guesses and improve inversion accuracy. Our results demonstrate that CNN inversion not only provides the most reliable reconstructions but also significantly outperforms previously reported methods. Generative models remain promising but unstable, and iterative solvers offer only marginal improvements, underscoring the persistent ill-posedness of gravity inversion.
Authors: Bernhard Mueller
Abstract: Hound introduces a relation-first graph engine that improves system-level reasoning across interrelated components in complex codebases. The agent designs flexible, analyst-defined views with compact annotations (e.g., monetary/value flows, authentication/authorization roles, call graphs, protocol invariants) and uses them to anchor exact retrieval: for any question, it loads precisely the code that matters (often across components) so it can zoom out to system structure and zoom in to the decisive lines. A second contribution is a persistent belief system: long-lived vulnerability hypotheses whose confidence is updated as evidence accrues. The agent employs coverage-versus-intuition planning and a QA finalizer to confirm or reject hypotheses. On a five-project subset of ScaBench[1], Hound improves recall and F1 over a baseline LLM analyzer (micro recall 31.2% vs. 8.3%; F1 14.2% vs. 9.8%) with a modest precision trade-off. We attribute these gains to flexible, relation-first graphs that extend model understanding beyond call/dataflow to abstract aspects, plus the hypothesis-centric loop; code and artifacts are released to support reproduction.
Authors: Tonmoy Ghosh
Abstract: Password security has been compelled to evolve in response to the growing computational capabilities of modern systems. However, this evolution has often resulted in increasingly complex security practices that alienate users, leading to poor compliance and heightened vulnerability. Consequently, individuals remain exposed to attackers through weak or improperly managed passwords, underscoring the urgent need for a comprehensive defense mechanism that effectively addresses password-related risks and threats. In this paper, we propose a multifaceted solution designed to revolutionize password security by integrating diverse attributes such as the Password Dissection Mechanism, Dynamic Password Policy Mechanism, human behavioral patterns, device characteristics, network parameters, geographical context, and other relevant factors. By leveraging learning-based models, our framework constructs detailed user profiles capable of recognizing individuals and preventing nearly all forms of unauthorized access or device possession. The proposed framework enhances the usability-security paradigm by offering stronger protection than existing standards while simultaneously engaging users in the policy-setting process through a novel, adaptive approach.
Authors: Xiangxiang Chen, Peixin Zhang, Jun Sun, Wenhai Wang, Jingyi Wang
Abstract: Model quantization is a popular technique for deploying deep learning models on resource-constrained environments. However, it may also introduce previously overlooked security risks. In this work, we present QuRA, a novel backdoor attack that exploits model quantization to embed malicious behaviors. Unlike conventional backdoor attacks relying on training data poisoning or model training manipulation, QuRA solely works using the quantization operations. In particular, QuRA first employs a novel weight selection strategy to identify critical weights that influence the backdoor target (with the goal of perserving the model's overall performance in mind). Then, by optimizing the rounding direction of these weights, we amplify the backdoor effect across model layers without degrading accuracy. Extensive experiments demonstrate that QuRA achieves nearly 100% attack success rates in most cases, with negligible performance degradation. Furthermore, we show that QuRA can adapt to bypass existing backdoor defenses, underscoring its threat potential. Our findings highlight critical vulnerability in widely used model quantization process, emphasizing the need for more robust security measures. Our implementation is available at https://github.com/cxx122/QuRA.
Authors: Shiyuan Guo, Henry Sleight, Fabien Roger
Abstract: Detecting harmful AI actions is important as AI agents gain adoption. Chain-of-thought (CoT) monitoring is one method widely used to detect adversarial attacks and AI misalignment. However, attackers and misaligned models might evade CoT monitoring through ciphered reasoning: reasoning hidden in encrypted, translated, or compressed text. To assess this risk, we test whether models can perform ciphered reasoning. For each of 28 different ciphers, we fine-tune and prompt up to 10 models to reason in that cipher. We measure model accuracy on math problems as a proxy for reasoning ability. Across the models we test, we find an asymmetry: model accuracy can drop significantly when reasoning in ciphered text, even though models demonstrate comprehension of ciphered text by being able to translate it accurately to English. Even frontier models struggle with lesser-known ciphers, although they can reason accurately in well-known ciphers like rot13. We show that ciphered reasoning capability correlates with cipher prevalence in pretraining data. We also identify scaling laws showing that ciphered reasoning capability improves slowly with additional fine-tuning data. Our work suggests that evading CoT monitoring using ciphered reasoning may be an ineffective tactic for current models and offers guidance on constraining the development of this capability in future frontier models.
Authors: Dwip Dalal, Gautam Vashishtha, Utkarsh Mishra, Jeonghwan Kim, Madhav Kanda, Hyeonjeong Ha, Svetlana Lazebnik, Heng Ji, Unnat Jain
Abstract: Multimodal large language models (MLLMs) often miss small details and spatial relations in cluttered scenes, leading to errors in fine-grained perceptual grounding. We introduce AttWarp, a lightweight method that allocates more resolution to query-relevant content while compressing less informative areas, all while preserving global context. At test time, the approach uses an MLLM's cross-modal attention to perform rectilinear warping of the input image, reallocating spatial resolution toward regions the model deems important, without changing model weights or architecture. This attention-guided warping preserves all original image information but redistributes it non-uniformly, so small objects and subtle relationships become easier for the same model to read while the global layout remains intact. Across five benchmarks (TextVQA, GQA, DocVQA, POPE, MMMU) and four MLLMs (LLaVA, Qwen-VL, InternVL, and InstructBLIP), AttWarp consistently improves accuracy, strengthens compositional reasoning, and reduces hallucinations, outperforming four competitive baselines that manipulate raw images at test time. Together, these results show that attention-guided warping prioritizes information relevant to the query while preserving context, and that the same MLLMs perform better when given such warped inputs.
Authors: Yufa Zhou, Yixiao Wang, Xunjian Yin, Shuyan Zhou, Anru R. Zhang
Abstract: We study how large language models (LLMs) ``think'' through their representation space. We propose a novel geometric framework that models an LLM's reasoning as flows -- embedding trajectories evolving where logic goes. We disentangle logical structure from semantics by employing the same natural deduction propositions with varied semantic carriers, allowing us to test whether LLMs internalize logic beyond surface form. This perspective connects reasoning with geometric quantities such as position, velocity, and curvature, enabling formal analysis in representation and concept spaces. Our theory establishes: (1) LLM reasoning corresponds to smooth flows in representation space, and (2) logical statements act as local controllers of these flows' velocities. Using learned representation proxies, we design controlled experiments to visualize and quantify reasoning flows, providing empirical validation of our theoretical framework. Our work serves as both a conceptual foundation and practical tools for studying reasoning phenomenon, offering a new lens for interpretability and formal analysis of LLMs' behavior.
Authors: Alessio Maritan, Luca Schenato
Abstract: We introduce and address a novel distributed clustering problem where each participant has a private dataset containing only a subset of all available features, and some features are included in multiple datasets. This scenario occurs in many real-world applications, such as in healthcare, where different institutions have complementary data on similar patients. We propose two different algorithms suitable for solving distributed clustering problems that exhibit this type of feature space heterogeneity. The first is a federated algorithm in which participants collaboratively update a set of global centroids. The second is a one-shot algorithm in which participants share a statistical parametrization of their local clusters with the central server, who generates and merges synthetic proxy datasets. In both cases, participants perform local clustering using algorithms of their choice, which provides flexibility and personalized computational costs. Pretending that local datasets result from splitting and masking an initial centralized dataset, we identify some conditions under which the proposed algorithms are expected to converge to the optimal centralized solution. Finally, we test the practical performance of the algorithms on three public datasets.
Authors: David Benavente-Rios, Juan Ruiz Rodriguez, Gustavo Gatica
Abstract: This paper investigates the use of synthetic face data to enhance Single-Morphing Attack Detection (S-MAD), addressing the limitations of availability of large-scale datasets of bona fide images due to privacy concerns. Various morphing tools and cross-dataset evaluation schemes were utilized to conduct this study. An incremental testing protocol was implemented to assess the generalization capabilities as more and more synthetic images were added. The results of the experiments show that generalization can be improved by carefully incorporating a controlled number of synthetic images into existing datasets or by gradually adding bona fide images during training. However, indiscriminate use of synthetic data can lead to sub-optimal performance. Evenmore, the use of only synthetic data (morphed and non-morphed images) achieves the highest Equal Error Rate (EER), which means in operational scenarios the best option is not relying only on synthetic data for S-MAD.
Authors: Hossein Entezari Zarch, Lei Gao, Chaoyi Jiang, Murali Annavarm
Abstract: Large reasoning models (LRMs) achieve state-of-the-art performance on challenging benchmarks by generating long chains of intermediate steps, but their inference cost is dominated by decoding, where each new token must attend to the entire growing sequence. Existing sparse attention methods reduce computation by pruning the key-value (KV) cache, yet they suffer from severe accuracy degradation on reasoning tasks due to cumulative selection errors and the dynamic importance of tokens over long derivations. We present \textbf{DELTA}, a training-free sparse attention mechanism that achieves computational efficiency without sacrificing model accuracy. DELTA partitions transformer layers into three groups: initial layers that use full attention, a small set of \emph{selection layers} that identify salient tokens via aggregated head-level attention scores, and subsequent \emph{sparse-attention layers} that attend only to the selected subset. This design preserves the full KV cache in GPU memory for accuracy, while avoiding expensive full-attention computation over many layers. On reasoning benchmarks such as AIME and GPQA-Diamond, DELTA matches or surpasses full attention in accuracy, while reducing the number of attended tokens by up to $5\times$ and delivering $1.5\times$ end-to-end speedup. Our results show that selective reuse of intermediate attention maps offers a robust path toward efficient long-context reasoning.
Authors: Guanming Chen, Lingzhi Shen, Xiaohao Cai, Imran Razzak, Shoaib Jameel
Abstract: Personality detection from text aims to infer an individual's personality traits based on linguistic patterns. However, existing machine learning approaches often struggle to capture contextual information spanning multiple posts and tend to fall short in extracting representative and robust features in semantically sparse environments. This paper presents HIPPD, a brain-inspired framework for personality detection that emulates the hierarchical information processing of the human brain. HIPPD utilises a large language model to simulate the cerebral cortex, enabling global semantic reasoning and deep feature abstraction. A dynamic memory module, modelled after the prefrontal cortex, performs adaptive gating and selective retention of critical features, with all adjustments driven by dopaminergic prediction error feedback. Subsequently, a set of specialised lightweight models, emulating the basal ganglia, are dynamically routed via a strict winner-takes-all mechanism to capture the personality-related patterns they are most proficient at recognising. Extensive experiments on the Kaggle and Pandora datasets demonstrate that HIPPD consistently outperforms state-of-the-art baselines.
Authors: Junyuan Liu, Quan Qin, Guangsheng Dong, Xinglei Wang, Jiazhuang Feng, Zichao Zeng, Tao Cheng
Abstract: General-purpose spatial representations are essential for building transferable geospatial foundation models (GFMs). Among them, the AlphaEarth Foundation (AE) represents a major step toward a global, unified representation of the Earth's surface, learning 10-meter embeddings from multi-source Earth Observation (EO) data that capture rich physical and environmental patterns across diverse landscapes. However, such EO-driven representations remain limited in capturing the functional and socioeconomic dimensions of cities, as they primarily encode physical and spectral patterns rather than human activities or spatial functions. We propose AETHER (AlphaEarth-POI Enriched Representation Learning), a lightweight framework that adapts AlphaEarth to human-centered urban analysis through multimodal alignment guided by Points of Interest (POIs). AETHER aligns AE embeddings with textual representations of POIs, enriching physically grounded EO features with semantic cues about urban functions and socioeconomic contexts. In Greater London, AETHER achieves consistent gains over the AE baseline, with a 7.2% relative improvement in land-use classification F1 and a 23.6% relative reduction in Kullback-Leibler divergence for socioeconomic mapping. Built upon pretrained AE, AETHER leverages a lightweight multimodal alignment to enrich it with human-centered semantics while remaining computationally efficient and scalable for urban applications. By coupling EO with human-centered semantics, it advances geospatial foundation models toward general-purpose urban representations that integrate both physical form and functional meaning.
Authors: Hao Yan, Heyan Zhang, Yongyi Guo
Abstract: The rise of large-scale pretrained models has made it feasible to generate predictive or synthetic features at low cost, raising the question of how to incorporate such surrogate predictions into downstream decision-making. We study this problem in the setting of online linear contextual bandits, where contexts may be complex, nonstationary, and only partially observed. In addition to bandit data, we assume access to an auxiliary dataset containing fully observed contexts--common in practice since such data are collected without adaptive interventions. We propose PULSE-UCB, an algorithm that leverages pretrained models trained on the auxiliary data to impute missing features during online decision-making. We establish regret guarantees that decompose into a standard bandit term plus an additional component reflecting pretrained model quality. In the i.i.d. context case with H\"older-smooth missing features, PULSE-UCB achieves near-optimal performance, supported by matching lower bounds. Our results quantify how uncertainty in predicted contexts affects decision quality and how much historical data is needed to improve downstream learning.
Authors: Shahbaz P Qadri Syed, He Bai
Abstract: The empirical success of multi-agent reinforcement learning (MARL) has motivated the search for more efficient and scalable algorithms for large scale multi-agent systems. However, existing state-of-the-art algorithms do not fully exploit inter-agent coupling information to develop MARL algorithms. In this paper, we propose a systematic approach to leverage structures in the inter-agent couplings for efficient model-free reinforcement learning. We model the cooperative MARL problem via a Bayesian network and characterize the subset of agents, termed as the value dependency set, whose information is required by each agent to estimate its local action value function exactly. Moreover, we propose a partially decentralized training decentralized execution (P-DTDE) paradigm based on the value dependency set. We theoretically establish that the total variance of our P-DTDE policy gradient estimator is less than the centralized training decentralized execution (CTDE) policy gradient estimator. We derive a multi-agent policy gradient theorem based on the P-DTDE scheme and develop a scalable actor-critic algorithm. We demonstrate the efficiency and scalability of the proposed algorithm on multi-warehouse resource allocation and multi-zone temperature control examples. For dense value dependency sets, we propose an approximation scheme based on truncation of the Bayesian network and empirically show that it achieves a faster convergence than the exact value dependence set for applications with a large number of agents.
Authors: Pouya Shaeri, Ryan T. Woo, Yasaman Mohammadpour, Ariane Middel
Abstract: Segmentation models achieve high accuracy on benchmarks but often fail in real-world domains by relying on spurious correlations instead of true object boundaries. We propose a human-in-the-loop interactive framework that enables interventional learning through targeted human corrections of segmentation outputs. Our approach treats human corrections as interventional signals that show when reliance on superficial features (e.g., color or texture) is inappropriate. The system learns from these interventions by propagating correction-informed edits across visually similar images, effectively steering the model toward robust, semantically meaningful features rather than dataset-specific artifacts. Unlike traditional annotation approaches that simply provide more training data, our method explicitly identifies when and why the model fails and then systematically corrects these failure modes across the entire dataset. Through iterative human feedback, the system develops increasingly robust representations that generalize better to novel domains and resist artifactual correlations. We demonstrate that our framework improves segmentation accuracy by up to 9 mIoU points (12-15\% relative improvement) on challenging cubemap data and yields 3-4$\times$ reductions in annotation effort compared to standard retraining, while maintaining competitive performance on benchmark datasets. This work provides a practical framework for researchers and practitioners seeking to build segmentation systems that are accurate, robust to dataset biases, data-efficient, and adaptable to real-world domains such as urban climate monitoring and autonomous driving.
Authors: Mir Tafseer Nayeem, Sawsan Alqahtani, Md Tahmid Rahman Laskar, Tasnim Mohiuddin, M Saiful Bari
Abstract: Tokenization is a crucial but under-evaluated step in large language models (LLMs). The standard metric, fertility (the average number of tokens per word), captures compression efficiency but obscures how vocabularies are allocated across languages and domains. We analyze six widely used tokenizers across seven languages and two domains, finding stable fertility for English, high fertility for Chinese, and little domain sensitivity. To address fertility's blind spots, we propose the Single Token Retention Rate (STRR), which measures the proportion of words preserved as single tokens. STRR reveals systematic prioritization of English, strong support for Chinese, and fragmentation in Hindi, offering an interpretable view of cross-lingual fairness. Our results show that STRR complements fertility and provides practical guidance for designing more equitable multilingual tokenizers.
Authors: Xiao-Xiong Lin, Yuk Hoi Yiu, Christian Leibold
Abstract: Sequential activation of place-tuned neurons in an animal during navigation is typically interpreted as reflecting the sequence of input from adjacent positions along the trajectory. More recent theories about such place cells suggest sequences arise from abstract cognitive objectives like planning. Here, we propose a mechanistic and parsimonious interpretation to complement these ideas: hippocampal sequences arise from intrinsic recurrent circuitry that propagates activity without readily available input, acting as a temporal memory buffer for extremely sparse inputs.We implement a minimal sequence generator inspired by neurobiology and pair it with an actor-critic learner for egocentric visual navigation. Our agent reliably solves a continuous maze without explicit geometric cues, with performance depending on the length of the recurrent sequence. Crucially, the model outperforms LSTM cores under sparse input conditions (16 channels, ~2.5% activity), but not under dense input, revealing a strong interaction between representational sparsity and memory architecture.In contrast to LSTM agents, hidden sequence units develop localized place fields, distance-dependent spatial kernels, and task-dependent remapping, while inputs orthogonalize and spatial information increases across layers. These phenomena align with neurobiological data and are causal to performance. Together, our results show that sparse input synergizes with sequence-generating dynamics, providing both a mechanistic account of place cell sequences in the mammalian hippocampus and a simple inductive bias for reinforcement learning based on sparse egocentric inputs in navigation tasks.
Authors: Stefan Pasch
Abstract: Organizational efforts to utilize and operationalize artificial intelligence (AI) are often accompanied by substantial challenges, including scalability, maintenance, and coordination across teams. In response, the concept of Machine Learning Operations (MLOps) has emerged as a set of best practices that integrate software engineering principles with the unique demands of managing the ML lifecycle. Yet, empirical evidence on whether and how these practices support users in developing and operationalizing AI applications remains limited. To address this gap, this study analyzes over 8,000 user reviews of AI development platforms from G2.com. Using zero-shot classification, we measure review sentiment toward nine established MLOps practices, including continuous integration and delivery (CI/CD), workflow orchestration, reproducibility, versioning, collaboration, and monitoring. Seven of the nine practices show a significant positive relationship with user satisfaction, suggesting that effective MLOps implementation contributes tangible value to AI development. However, organizational context also matters: reviewers from small firms discuss certain MLOps practices less frequently, suggesting that organizational context influences the prevalence and salience of MLOps, though firm size does not moderate the MLOps-satisfaction link. This indicates that once applied, MLOps practices are perceived as universally beneficial across organizational settings.
Authors: Yao Gao, Lei Sun, Shaohua Gao, Qi Jiang, Kailun Yang, Weijian Hu, Xiaolong Qian, Wenyong Li, Luc Van Gool, Kaiwei Wang
Abstract: The highly non-convex optimization landscape of modern lens design necessitates extensive human expertise, resulting in inefficiency and constrained design diversity. While automated methods are desirable, existing approaches remain limited to simple tasks or produce complex lenses with suboptimal image quality. Drawing inspiration from the synaptic pruning mechanism in mammalian neural development, this study proposes OptiNeuro--a novel automated lens design framework that first generates diverse initial structures and then progressively eliminates low-performance lenses while refining remaining candidates through gradient-based optimization. By fully automating the design of complex aspheric imaging lenses, OptiNeuro demonstrates quasi-human-level performance, identifying multiple viable candidates with minimal human intervention. This advancement not only enhances the automation level and efficiency of lens design but also facilitates the exploration of previously uncharted lens architectures.
Authors: Henry D. Smith, Nathaniel L. Diamant, Brian L. Trippe
Abstract: Generative models frequently suffer miscalibration, wherein class probabilities and other statistics of the sampling distribution deviate from desired values. We frame calibration as a constrained optimization problem and seek the closest model in Kullback-Leibler divergence satisfying calibration constraints. To address the intractability of imposing these constraints exactly, we introduce two surrogate objectives for fine-tuning: (1) the relax loss, which replaces the constraint with a miscalibration penalty, and (2) the reward loss, which converts calibration into a reward fine-tuning problem. We demonstrate that these approaches substantially reduce calibration error across hundreds of simultaneous constraints and models with up to one billion parameters, spanning applications in protein design, image generation, and language modeling.
Authors: Chung-Soo Ahn, Rajib Rana, Sunil Sivadas, Carlos Busso, Jagath C. Rajapakse
Abstract: Although speech emotion recognition (SER) research has been advanced, thanks to deep learning methods, it still suffers from obtaining inputs from large quality-labelled training data. Data augmentation methods have been attempted to mitigate this issue, generative models have shown success among them recently. We propose a data augmentation framework that is aided by cross-modal information transfer and mutual information regularization. Mutual information based metric can serve as an indicator for the quality. Furthermore, we expand this data augmentation scope to multimodal inputs, thanks to mutual information ensureing dependency between modalities. Our framework was tested on three benchmark datasets: IEMOCAP, MSP-IMPROV and MSP-Podcast. The implementation was designed to generate input features that are fed into last layer for emotion classification. Our framework improved the performance of emotion prediction against existing works. Also, we discovered that our framework is able to generate new inputs without any cross-modal information.
Authors: Parthiv Chatterjee, Shivam Sonawane, Amey Hengle, Aditya Tanna, Sourish Dasgupta, Tanmoy Chakraborty
Abstract: Document summarization enables efficient extraction of user-relevant content but is inherently shaped by individual subjectivity, making it challenging to identify subjective salient information in multifaceted documents. This complexity underscores the necessity for personalized summarization. However, training models for personalized summarization has so far been challenging, particularly because diverse training data containing both user preference history (i.e., click-skip trajectory) and expected (gold-reference) summaries are scarce. The MS/CAS PENS dataset is a valuable resource but includes only preference history without target summaries, preventing end-to-end supervised learning, and its limited topic-transition diversity further restricts generalization. To address this, we propose $\mathrm{PerAugy}$, a novel cross-trajectory shuffling and summary-content perturbation based data augmentation technique that significantly boosts the accuracy of four state-of-the-art baseline (SOTA) user-encoders commonly used in personalized summarization frameworks (best result: $\text{0.132}$$\uparrow$ w.r.t AUC). We select two such SOTA summarizer frameworks as baselines and observe that when augmented with their corresponding improved user-encoders, they consistently show an increase in personalization (avg. boost: $\text{61.2\%}\uparrow$ w.r.t. PSE-SU4 metric). As a post-hoc analysis of the role of induced diversity in the augmented dataset by \peraugy, we introduce three dataset diversity metrics -- $\mathrm{TP}$, $\mathrm{RTC}$, and \degreed\ to quantify the induced diversity. We find that $\mathrm{TP}$ and $\mathrm{DegreeD}$ strongly correlate with user-encoder performance on the PerAugy-generated dataset across all accuracy metrics, indicating that increased dataset diversity is a key factor driving performance gains.
Authors: Guozhi Liu, Qi Mu, Tiansheng Huang, Xinhua Wang, Li Shen, Weiwei Lin, Zhang Li
Abstract: Harmful fine-tuning issues present significant safety challenges for fine-tuning-as-a-service in large language models. Existing alignment-stage defenses, e.g., Vaccine, Repnoise, Booster, and T-Vaccine, mitigate harmful fine-tuning issues by enhancing the model's robustness during the alignment phase. While these methods have been proposed to mitigate the issue, they often overlook a critical upstream factor: the role of the original safety-alignment data. We observe that their defense performance and computational efficiency remain constrained by the quality and composition of the alignment dataset. To address this limitation, we propose Pharmacist, a safety alignment data curation solution that enhances defense against harmful fine-tuning by selecting a high-quality and safety-critical core subset from the original alignment data. The core idea of Pharmacist is to train an alignment data selector to rank alignment data. Specifically, up-ranking high-quality and safety-critical alignment data, down-ranking low-quality and non-safety-critical data. Empirical results indicate that models trained on datasets selected by Pharmacist outperform those trained on datasets selected by existing selection methods in both defense and inference performance. In addition, Pharmacist can be effectively integrated with mainstream alignment-stage defense methods. For example, when applied to RepNoise and T-Vaccine, using the dataset selected by Pharmacist instead of the full dataset leads to improvements in defense performance by 2.60\% and 3.30\%, respectively, and enhances inference performance by 3.50\% and 1.10\%. Notably, it reduces training time by 56.83\% and 57.63\%, respectively. Our code is available at https://github.com/Lslland/Pharmacist.
Authors: Yuanche Liu, Yingxuan Xu, Yang Zhang
Abstract: We introduce a machine-learning framework based on symbolic regression to extract the full symbol alphabet of multi-loop Feynman integrals. By targeting the analytic structure rather than reduction, the method is broadly applicable and interpretable across different families of integrals. It successfully reconstructs complete symbol alphabets in nontrivial examples, demonstrating both robustness and generality. Beyond accelerating computations case by case, it uncovers the analytic structure universally. This framework opens new avenues for multi-loop amplitude analysis and provides a versatile tool for exploring scattering amplitudes.
Authors: Kuangpu Guo, Lijun Sheng, Yongcan Yu, Jian Liang, Zilei Wang, Ran He
Abstract: Unsupervised Federated Learning (UFL) aims to collaboratively train a global model across distributed clients without sharing data or accessing label information. Previous UFL works have predominantly focused on representation learning and clustering tasks. Recently, vision language models (e.g., CLIP) have gained significant attention for their powerful zero-shot prediction capabilities. Leveraging this advancement, classification problems that were previously infeasible under the UFL paradigm now present promising new opportunities, yet remain largely unexplored. In this paper, we extend UFL to the classification problem with CLIP for the first time and propose a novel method, \underline{\textbf{Fed}}erated \underline{\textbf{Co}}operative \underline{\textbf{P}}seudo \underline{\textbf{L}}abeling (\textbf{FedCoPL}). Specifically, clients estimate and upload their pseudo label distribution, and the server adjusts and redistributes them to avoid global imbalance among classes. Moreover, we introduce a partial prompt aggregation protocol for effective collaboration and personalization. In particular, visual prompts containing general image features are aggregated at the server, while text prompts encoding personalized knowledge are retained locally. Extensive experiments demonstrate the superior performance of our FedCoPL compared to baseline methods. Our code is available at \href{https://github.com/krumpguo/FedCoPL}{https://github.com/krumpguo/FedCoPL}.
URLs: https://github.com/krumpguo/FedCoPL, https://github.com/krumpguo/FedCoPL
Authors: Aniruddha Srinivas Joshi, Godwyn James William, Shreyas Srinivas Joshi
Abstract: Accurate fire and smoke detection is critical for safety and disaster response, yet existing vision-based methods face challenges in balancing efficiency and reliability. Compact deep learning models such as YOLOv5n and YOLOv8n are widely adopted for deployment on UAVs, CCTV systems, and IoT devices, but their reduced capacity often results in false positives and missed detections. Conventional post-detection methods such as Non-Maximum Suppression and Soft-NMS rely only on spatial overlap, which can suppress true positives or retain false alarms in cluttered or ambiguous fire scenes. To address these limitations, we propose an uncertainty aware post-detection framework that rescales detection confidences using both statistical uncertainty and domain relevant visual cues. A lightweight Confidence Refinement Network integrates uncertainty estimates with color, edge, and texture features to adjust detection scores without modifying the base model. Experiments on the D-Fire dataset demonstrate improved precision, recall, and mean average precision compared to existing baselines, with only modest computational overhead. These results highlight the effectiveness of post-detection rescoring in enhancing the robustness of compact deep learning models for real-world fire and smoke detection.
Authors: Joydeep Chandra, Satyam Kumar Navneet, Yong Zhang
Abstract: The proliferation of complex, multimodal datasets has exposed a critical gap between the capabilities of specialized vector databases and traditional graph databases. While vector databases excel at semantic similarity search, they lack the capacity for deep relational querying. Conversely, graph databases master complex traversals but are not natively optimized for high-dimensional vector search. This paper introduces the Hybrid Multimodal Graph Index (HMGI), a novel framework designed to bridge this gap by creating a unified system for efficient, hybrid queries on multimodal data. HMGI leverages the native graph database architecture and integrated vector search capabilities, exemplified by platforms like Neo4j, to combine Approximate Nearest Neighbor Search (ANNS) with expressive graph traversal queries. Key innovations of the HMGI framework include modality-aware partitioning of embeddings to optimize index structure and query performance, and a system for adaptive, low-overhead index updates to support dynamic data ingestion, drawing inspiration from the architectural principles of systems like TigerVector. By integrating semantic similarity search directly with relational context, HMGI aims to outperform pure vector databases like Milvus in complex, relationship-heavy query scenarios and achieve sub-linear query times for hybrid tasks.
Authors: Hongxing Peng, Haopei Xie, Weijia Lia, Huanai Liuc, Ximing Li
Abstract: Litchi is a high-value fruit, yet traditional manual selection methods are increasingly inadequate for modern production demands. Integrating UAV-based aerial imagery with deep learning offers a promising solution to enhance efficiency and reduce costs. This paper introduces YOLOv11-Litchi, a lightweight and robust detection model specifically designed for UAV-based litchi detection. Built upon the YOLOv11 framework, the proposed model addresses key challenges such as small target size, large model parameters hindering deployment, and frequent target occlusion. To tackle these issues, three major innovations are incorporated: a multi-scale residual module to improve contextual feature extraction across scales, a lightweight feature fusion method to reduce model size and computational costs while maintaining high accuracy, and a litchi occlusion detection head to mitigate occlusion effects by emphasizing target regions and suppressing background interference. Experimental results validate the model's effectiveness. YOLOv11-Litchi achieves a parameter size of 6.35 MB - 32.5% smaller than the YOLOv11 baseline - while improving mAP by 2.5% to 90.1% and F1-Score by 1.4% to 85.5%. Additionally, the model achieves a frame rate of 57.2 FPS, meeting real-time detection requirements. These findings demonstrate the suitability of YOLOv11-Litchi for UAV-based litchi detection in complex orchard environments, showcasing its potential for broader applications in precision agriculture.
Authors: Michele Romani, Devis Zanoni, Elisabetta Farella, Luca Turchet
Abstract: $\textit{BrainForm}$ is a gamified Brain-Computer Interface (BCI) training system designed for scalable data collection using consumer hardware and a minimal setup. We investigated (1) how users develop BCI control skills across repeated sessions and (2) perceptual and performance effects of two visual stimulation textures. Game Experience Questionnaire (GEQ) scores for Flow}, Positive Affect, Competence and Challenge were strongly positive, indicating sustained engagement. A within-subject study with multiple runs, two task complexities, and post-session questionnaires revealed no significant performance differences between textures but increased ocular irritation over time. Online metrics$\unicode{x2013}$Task Accuracy, Task Time, and Information Transfer Rate$\unicode{x2013}$improved across sessions, confirming learning effects for symbol spelling, even under pressure conditions. Our results highlight the potential of $\textit{BrainForm}$ as a scalable, user-friendly BCI research tool and offer guidance for sustained engagement and reduced training fatigue.
Authors: Massinissa Merouani, Afif Boudaoud, Riyadh Baghdadi
Abstract: The advancement of machine learning for compiler optimization, particularly within the polyhedral model, is constrained by the scarcity of large-scale, public performance datasets. This data bottleneck forces researchers to undertake costly data generation campaigns, slowing down innovation and hindering reproducible research learned code optimization. To address this gap, we introduce LOOPerSet, a new public dataset containing 28 million labeled data points derived from 220,000 unique, synthetically generated polyhedral programs. Each data point maps a program and a complex sequence of semantics-preserving transformations (such as fusion, skewing, tiling, and parallelism)to a ground truth performance measurement (execution time). The scale and diversity of LOOPerSet make it a valuable resource for training and evaluating learned cost models, benchmarking new model architectures, and exploring the frontiers of automated polyhedral scheduling. The dataset is released under a permissive license to foster reproducible research and lower the barrier to entry for data-driven compiler optimization.
Authors: Yijie Xu, Huizai Yao, Zhiyu Guo, Weiyu Guo, Pengteng Li, Aiwei Liu, Xuming Hu, Hui Xiong
Abstract: Large language models (LLMs) are increasingly deployed in specialized domains such as finance, medicine, and agriculture, where they face significant distribution shifts from their training data. Domain-specific fine-tuning can mitigate this challenge but relies on high-quality labeled data that is expensive and slow to collect in expertise-limited settings. We study label-free test-time adaptation for language models and present SyTTA, an inference-time framework that adapts models on-the-fly without additional supervision. SyTTA couples two complementary uncertainty signals that arise under distribution shift: input-side perplexity, indicating mismatch with domain-specific terminology and patterns, and output-side predictive entropy, indicating diffuse and unstable token probabilities during generation. Across diverse model architectures and domain-specific benchmarks, SyTTA delivers consistent gains. Notably, on agricultural question answering, SyTTA improves Rouge-LSum by over 120% on Qwen-2.5-7B with only 4 extra tokens per query. These results show that effective test-time adaptation for language models is achievable without labeled examples, supporting deployment in label-scarce domains. The code will be made available upon acceptance.
Authors: Houssam Zenati, Bariscan Bozkurt, Arthur Gretton
Abstract: Adaptive experiments improve efficiency by adjusting treatment assignments based on past outcomes, but this adaptivity breaks the i.i.d. assumptions that underpins classical asymptotics. At the same time, many questions of interest are distributional, extending beyond average effects. Kernel treatment effects (KTE) provide a flexible framework by representing counterfactual outcome distributions in an RKHS and comparing them via kernel distances. We present the first kernel-based framework for distributional inference under adaptive data collection. Our method combines doubly robust scores with variance stabilization to ensure asymptotic normality via a Hilbert-space martingale CLT, and introduces a sample-fitted stabilized test with valid type-I error. Experiments show it is well calibrated and effective for both mean shifts and higher-moment differences, outperforming adaptive baselines limited to scalar effects.
Authors: Stephen Ni-Hahn, Chao P\'eter Yang, Mingchen Ma, Cynthia Rudin, Simon Mak, Yue Jiang
Abstract: Artificial Intelligence (AI) for music generation is undergoing rapid developments, with recent symbolic models leveraging sophisticated deep learning and diffusion model algorithms. One drawback with existing models is that they lack structural cohesion, particularly on harmonic-melodic structure. Furthermore, such existing models are largely "black-box" in nature and are not musically interpretable. This paper addresses these limitations via a novel generative music framework that incorporates concepts of Schenkerian analysis (SchA) in concert with a diffusion modeling framework. This framework, which we call ProGress (Prolongation-enhanced DiGress), adapts state-of-the-art deep models for discrete diffusion (in particular, the DiGress model of Vignac et al., 2023) for interpretable and structured music generation. Concretely, our contributions include 1) novel adaptations of the DiGress model for music generation, 2) a novel SchA-inspired phrase fusion methodology, and 3) a framework allowing users to control various aspects of the generation process to create coherent musical compositions. Results from human experiments suggest superior performance to existing state-of-the-art methods.
Authors: Jack Krolik, Jake Lynn, John Henry Rudden, Dmytro Vremenko
Abstract: This study explores the application of deep learning techniques in the automated detection and segmentation of brain tumors from MRI scans. We employ several machine learning models, including basic logistic regression, Convolutional Neural Networks (CNNs), and Residual Networks (ResNet) to classify brain tumors effectively. Additionally, we investigate the use of U-Net for semantic segmentation and EfficientDet for anchor-based object detection to enhance the localization and identification of tumors. Our results demonstrate promising improvements in the accuracy and efficiency of brain tumor diagnostics, underscoring the potential of deep learning in medical imaging and its significance in improving clinical outcomes.
Authors: Abdelrhman Elrawy, Emad A. Mohammed
Abstract: 3D Gaussian Splatting (3DGS) struggles in few-shot scenarios, where its standard adaptive density control (ADC) can lead to overfitting and bloated reconstructions. While state-of-the-art methods like FSGS improve quality, they often do so by significantly increasing the primitive count. This paper presents a framework that revises the core 3DGS optimization to prioritize efficiency. We replace the standard positional gradient heuristic with a novel densification trigger that uses the opacity gradient as a lightweight proxy for rendering error. We find this aggressive densification is only effective when paired with a more conservative pruning schedule, which prevents destructive optimization cycles. Combined with a standard depth-correlation loss for geometric guidance, our framework demonstrates a fundamental improvement in efficiency. On the 3-view LLFF dataset, our model is over 40% more compact (32k vs. 57k primitives) than FSGS, and on the Mip-NeRF 360 dataset, it achieves a reduction of approximately 70%. This dramatic gain in compactness is achieved with a modest trade-off in reconstruction metrics, establishing a new state-of-the-art on the quality-vs-efficiency Pareto frontier for few-shot view synthesis.
Authors: Moona Kanwal, Muhammad Sami Siddiqui, Syed Anael Ali
Abstract: Profiling gamers provides critical insights for adaptive game design, behavioral understanding, and digital well-being. This study proposes an integrated, data-driven framework that combines psychological measures, behavioral analytics, and machine learning to reveal underlying gamer personas. A structured survey of 250 participants, including 113 active gamers, captured multidimensional behavioral, motivational, and social data. The analysis pipeline integrated feature engineering, association-network, knowledge-graph analysis, and unsupervised clustering to extract meaningful patterns. Correlation statistics uses Cramers V, Tschuprows T, Theils U, and Spearmans quantified feature associations, and network centrality guided feature selection. Dimensionality-reduction techniques such as PCA, SVD, t-SNE are coupled with clustering algorithms like K-Means, Agglomerative, Spectral, DBSCAN, evaluated using Silhouette, Calinski Harabasz, and Davies Bouldin indices. The PCA with K-Means with k = 4 model achieved optimal cluster quality with Silhouette = 0.4, identifying four archetypes as Immersive Social Story-Seekers, Disciplined Optimizers, Strategic Systems Navigators, and Competitive Team-Builders. This research contributes a reproducible pipeline that links correlation-driven network insights with unsupervised learning. The integration of behavioral correlation networks with clustering not only enhances classification accuracy but also offers a holistic lens to connect gameplay motivations with psychological and wellness outcomes.
Authors: Jiafang Song, Sandipan Pramanik, Abhirup Datta
Abstract: In many scientific applications, uncertainty of estimates from an earlier (upstream) analysis needs to be propagated in subsequent (downstream) Bayesian analysis, without feedback. Cutting feedback methods, also termed cut-Bayes, achieve this by constructing a cut-posterior distribution that prevents backward information flow. Cutting feedback like nested MCMC is computationally challenging while variational inference (VI) cut-Bayes methods need two variational approximations and require access to the upstream data and model. In this manuscript we propose, NeVI-Cut, a provably accurate and modular neural network-based variational inference method for cutting feedback. We directly utilize samples from the upstream analysis without requiring access to the upstream data or model. This simultaneously preserves modularity of analysis and reduces approximation errors by avoiding a variational approximation for the upstream model. We then use normalizing flows to specify the conditional variational family for the downstream parameters and estimate the conditional cut-posterior as a variational solution of Monte Carlo average loss over all the upstream samples. We provide theoretical guarantees on the NeVI-Cut estimate to approximate any cut-posterior. Our results are in a fixed-data regime and provide convergence rates of the actual variational solution, quantifying how richness of the neural architecture and the complexity of the target cut-posterior dictate the approximation quality. In the process, we establish new results on uniform Kullback-Leibler approximation rates of conditional normalizing flows. Simulation studies and two real-world analyses illustrate how NeVI-Cut achieves significant computational gains over traditional cutting feedback methods and is considerably more accurate than parametric variational cut approaches.
Authors: Guan-Yan Yang, Tzu-Yu Cheng, Ya-Wen Teng, Farn Wanga, Kuo-Hui Yeh
Abstract: The integration of Large Language Models (LLMs) into computer applications has introduced transformative capabilities but also significant security challenges. Existing safety alignments, which primarily focus on semantic interpretation, leave LLMs vulnerable to attacks that use non-standard data representations. This paper introduces ArtPerception, a novel black-box jailbreak framework that strategically leverages ASCII art to bypass the security measures of state-of-the-art (SOTA) LLMs. Unlike prior methods that rely on iterative, brute-force attacks, ArtPerception introduces a systematic, two-phase methodology. Phase 1 conducts a one-time, model-specific pre-test to empirically determine the optimal parameters for ASCII art recognition. Phase 2 leverages these insights to launch a highly efficient, one-shot malicious jailbreak attack. We propose a Modified Levenshtein Distance (MLD) metric for a more nuanced evaluation of an LLM's recognition capability. Through comprehensive experiments on four SOTA open-source LLMs, we demonstrate superior jailbreak performance. We further validate our framework's real-world relevance by showing its successful transferability to leading commercial models, including GPT-4o, Claude Sonnet 3.7, and DeepSeek-V3, and by conducting a rigorous effectiveness analysis against potential defenses such as LLaMA Guard and Azure's content filters. Our findings underscore that true LLM security requires defending against a multi-modal space of interpretations, even within text-only inputs, and highlight the effectiveness of strategic, reconnaissance-based attacks. Content Warning: This paper includes potentially harmful and offensive model outputs.
Authors: Sayan Mandal, Hua Jiang
Abstract: Automated code review adoption lags in compliance-heavy settings, where static analyzers produce high-volume, low-rationale outputs, and naive LLM use risks hallucination and incurring cost overhead. We present a production system for grounded, PR-native review that pairs static-analysis findings with AST-guided context extraction and a single-GPU, on-demand serving stack (quantized open-weight model, multi-tier caching) to deliver concise explanations and remediation guidance. Evaluated on safety-oriented C/C++ standards, the approach achieves sub-minute median first-feedback (offline p50 build+LLM 59.8s) while maintaining competitive violation reduction and lower violation rates versus larger proprietary models. The architecture is decoupled: teams can adopt the grounding/prompting layer or the serving layer independently. A small internal survey (n=8) provides directional signals of reduced triage effort and moderate perceived grounding, with participants reporting fewer human review iterations. We outline operational lessons and limitations, emphasizing reproducibility, auditability, and pathways to broader standards and assisted patching.
Authors: Liang Hong, Noura Raydan Nasreddine
Abstract: Conformal prediction is a model-free machine learning method for creating prediction regions with a guaranteed coverage probability level. However, a data scientist often faces three challenges in practice: (i) the determination of a conformal prediction region is only approximate, jeopardizing the finite-sample validity of prediction, (ii) the computation required could be prohibitively expensive, and (iii) the shape of a conformal prediction region is hard to control. This article offers new insights into the relationship among the monotonicity of the non-conformity measure, the monotonicity of the plausibility function, and the exact determination of a conformal prediction region. Based on these new insights, we propose a simple strategy to alleviate the three challenges simultaneously.
Authors: Shalaleh Rismani, Renee Shelby, Leah Davis, Negar Rostamzadeh, AJung Moon
Abstract: Over the past decade, an ecosystem of measures has emerged to evaluate the social and ethical implications of AI systems, largely shaped by high-level ethics principles. These measures are developed and used in fragmented ways, without adequate attention to how they are situated in AI systems. In this paper, we examine how existing measures used in the computing literature map to AI system components, attributes, hazards, and harms. Our analysis draws on a scoping review resulting in nearly 800 measures corresponding to 11 AI ethics principles. We find that most measures focus on four principles - fairness, transparency, privacy, and trust - and primarily assess model or output system components. Few measures account for interactions across system elements, and only a narrow set of hazards is typically considered for each harm type. Many measures are disconnected from where harm is experienced and lack guidance for setting meaningful thresholds. These patterns reveal how current evaluation practices remain fragmented, measuring in pieces rather than capturing how harms emerge across systems. Framing measures with respect to system attributes, hazards, and harms can strengthen regulatory oversight, support actionable practices in industry, and ground future research in systems-level understanding.
Authors: Chuqi Chen, Yang Xiang, Weihong Zhang
Abstract: Operator learning has emerged as a powerful paradigm for approximating solution operators of partial differential equations (PDEs) and other functional mappings. \textcolor{red}{}{Classical approaches} typically adopt a pointwise-to-pointwise framework, where input functions are sampled at prescribed locations and mapped directly to solution values. We propose the Fixed-Basis Coefficient to Coefficient Operator Network (FB-C2CNet), which learns operators in the coefficient space induced by prescribed basis functions. In this framework, the input function is projected onto a fixed set of basis functions (e.g., random features or finite element bases), and the neural operator predicts the coefficients of the solution function in the same or another basis. By decoupling basis selection from network training, FB-C2CNet reduces training complexity, enables systematic analysis of how basis choice affects approximation accuracy, and clarifies what properties of coefficient spaces (such as effective rank and coefficient variations) are critical for generalization. Numerical experiments on Darcy flow, Poisson equations in regular, complex, and high-dimensional domains, and elasticity problems demonstrate that FB-C2CNet achieves high accuracy and computational efficiency, showing its strong potential for practical operator learning tasks.
Authors: Yang Liu, Bruno Da Costa, Aude Billard
Abstract: Dynamic manipulation, such as robot tossing or throwing objects, has recently gained attention as a novel paradigm to speed up logistic operations. However, the focus has predominantly been on the object's landing location, irrespective of its final orientation. In this work, we present a method enabling a robot to accurately "throw-flip" objects to a desired landing pose (position and orientation). Conventionally, objects thrown by revolute robots suffer from parasitic rotation, resulting in highly restricted and uncontrollable landing poses. Our approach is based on two key design choices: first, leveraging the impulse-momentum principle, we design a family of throwing motions that effectively decouple the parasitic rotation, significantly expanding the feasible set of landing poses. Second, we combine a physics-based model of free flight with regression-based learning methods to account for unmodeled effects. Real robot experiments demonstrate that our framework can learn to throw-flip objects to a pose target within ($\pm$5 cm, $\pm$45 degrees) threshold in dozens of trials. Thanks to data assimilation, incorporating projectile dynamics reduces sample complexity by an average of 40% when throw-flipping to unseen poses compared to end-to-end learning methods. Additionally, we show that past knowledge on in-hand object spinning can be effectively reused, accelerating learning by 70% when throwing a new object with a Center of Mass (CoM) shift. A video summarizing the proposed method and the hardware experiments is available at https://youtu.be/txYc9b1oflU.
Authors: Ehsan Saleh, Saba Ghaffari, Jeffrey H. Curtis, Lekha Patel, Peter A. Bosler, Nicole Riemer, Matthew West
Abstract: Aerosol-cloud--radiation interactions remain among the most uncertain components of the Earth's climate system, in partdue to the high dimensionality of aerosol state representations and the difficulty of obtaining complete \textit{in situ} measurements. Addressing these challenges requires methods that distill complex aerosol properties into compact yet physically meaningful forms. Generative autoencoder models provide such a pathway. We present a framework for learning deep variational autoencoder (VAE) models of speciated mass and number concentration distributions, which capture detailed aerosol size-composition characteristics. By compressing hundreds of original dimensions into ten latent variables, the approach enables efficient storage and processing while preserving the fidelity of key diagnostics, including cloud condensation nuclei (CCN) spectra, optical scattering and absorption coefficients, and ice nucleation properties. Results show that CCN spectra are easiest to reconstruct accurately, optical properties are moderately difficult, and ice nucleation properties are the most challenging. To improve performance, we introduce a preprocessing optimization strategy that avoids repeated retraining and yields latent representations resilient to high-magnitude Gaussian noise, boosting accuracy for CCN spectra, optical coefficients, and frozen fraction spectra. Finally, we propose a novel realism metric -- based on the sliced Wasserstein distance between generated samples and a held-out test set -- for optimizing the KL divergence weight in VAEs. Together, these contributions enable compact, robust, and physically meaningful representations of aerosol states for large-scale climate applications.
Authors: Saurabh Kataria, Ayca Ermis, Lovely Yeswanth Panchumarthi, Minxiao Wang, Xiao Hu
Abstract: Photoplethysmography (PPG) sensor in wearable and clinical devices provides valuable physiological insights in a non-invasive and real-time fashion. Specialized Foundation Models (FM) or repurposed time-series FMs are used to benchmark physiological tasks. Our experiments with fine-tuning FMs reveal that Vision FM (VFM) can also be utilized for this purpose and, in fact, surprisingly leads to state-of-the-art (SOTA) performance on many tasks, notably blood pressure estimation. We leverage VFMs by simply transforming one-dimensional PPG signals into image-like two-dimensional representations, such as the Short-Time Fourier transform (STFT). Using the latest VFMs, such as DINOv3 and SIGLIP-2, we achieve promising performance on other vital signs and blood lab measurement tasks as well. Our proposal, Vision4PPG, unlocks a new class of FMs to achieve SOTA performance with notable generalization to other 2D input representations, including STFT phase and recurrence plots. Our work improves upon prior investigations of vision models for PPG by conducting a comprehensive study, comparing them to state-of-the-art time-series FMs, and demonstrating the general PPG processing ability by reporting results on six additional tasks. Thus, we provide clinician-scientists with a new set of powerful tools that is also computationally efficient, thanks to Parameter-Efficient Fine-Tuning (PEFT) techniques.
Authors: Shouxu Lin, Zimeng Pan, Yuhang Yao, Haeyoung Noh, Pei Zhang, Carlee Joe-Wong
Abstract: Multi-Model Federated Learning (MMFL) is an emerging direction in Federated Learning (FL) where multiple models are trained in parallel, generally on various datasets. Optimizing the models' accuracies and training times in the MMFL setting requires adapting to data and system heterogeneity across clients as in single-model FL; these challenges are amplified in the MMFL setting due to additional heterogeneity across models. Neither existing solutions nor na\"ive extensions of single-model FL frameworks efficiently address these challenges. To bridge this gap, we propose FLAMMABLE, a comprehensive MMFL training framework. FLAMMABLE optimizes model training by intelligently adapting client batch sizes while engaging them to train multiple carefully chosen models, depending on their system capabilities, in each training round. To evaluate FLAMMABLE, we develop the first benchmark platform for the MMFL setting, which may enable future reproducible MMFL research. Extensive evaluations on multiple datasets and models show that FLAMMABLE boosts the MMFL time-to-accuracy performance by 1.1$\sim$10.0$\times$ while improving the final model accuracy by 1.3$\sim$5.4\% compared to several known baselines.
Authors: Aashiq Muhamed, Leonardo F. R. Ribeiro, Markus Dreyer, Virginia Smith, Mona T. Diab
Abstract: The ability of language models in RAG systems to selectively refuse to answer based on flawed context is critical for safety, yet remains a significant failure point. Our large-scale study reveals that even frontier models struggle in this setting, with refusal accuracy dropping below 50% on multi-document tasks, while exhibiting either dangerous overconfidence or overcaution. Static benchmarks fail to reliably evaluate this capability, as models exploit dataset-specific artifacts and memorize test instances. We introduce RefusalBench, a generative methodology that programmatically creates diagnostic test cases through controlled linguistic perturbation. Our framework employs 176 distinct perturbation strategies across six categories of informational uncertainty and three intensity levels. Evaluation of over 30 models uncovers systematic failure patterns: refusal comprises separable detection and categorization skills, and neither scale nor extended reasoning improves performance. We find that selective refusal is a trainable, alignment-sensitive capability, offering a clear path for improvement. We release two benchmarks -- RefusalBench-NQ (single document) and RefusalBench-GaRAGe (multi-document) -- and our complete generation framework to enable continued, dynamic evaluation of this critical capability.
Authors: Zhao-Yang Wang, Jieneng Chen, Jiang Liu, Yuxiang Guo, Rama Chellappa
Abstract: Gait recognition, a fundamental biometric technology, leverages unique walking patterns for individual identification, typically using 2D representations such as silhouettes or skeletons. However, these methods often struggle with viewpoint variations, occlusions, and noise. Multi-modal approaches that incorporate 3D body shape information offer improved robustness but are computationally expensive, limiting their feasibility for real-time applications. To address these challenges, we introduce Mesh-Gait, a novel end-to-end multi-modal gait recognition framework that directly reconstructs 3D representations from 2D silhouettes, effectively combining the strengths of both modalities. Compared to existing methods, directly learning 3D features from 3D joints or meshes is complex and difficult to fuse with silhouette-based gait features. To overcome this, Mesh-Gait reconstructs 3D heatmaps as an intermediate representation, enabling the model to effectively capture 3D geometric information while maintaining simplicity and computational efficiency. During training, the intermediate 3D heatmaps are gradually reconstructed and become increasingly accurate under supervised learning, where the loss is calculated between the reconstructed 3D joints, virtual markers, and 3D meshes and their corresponding ground truth, ensuring precise spatial alignment and consistent 3D structure. Mesh-Gait extracts discriminative features from both silhouettes and reconstructed 3D heatmaps in a computationally efficient manner. This design enables the model to capture spatial and structural gait characteristics while avoiding the heavy overhead of direct 3D reconstruction from RGB videos, allowing the network to focus on motion dynamics rather than irrelevant visual details. Extensive experiments demonstrate that Mesh-Gait achieves state-of-the-art accuracy. The code will be released upon acceptance of the paper.
Authors: Zhao-Yang Wang, Zhimin Shao, Jieneng Chen, Rama Chellappa
Abstract: Gait recognition is an important biometric for human identification at a distance, particularly under low-resolution or unconstrained environments. Current works typically focus on either 2D representations (e.g., silhouettes and skeletons) or 3D representations (e.g., meshes and SMPLs), but relying on a single modality often fails to capture the full geometric and dynamic complexity of human walking patterns. In this paper, we propose a multi-modal and multi-task framework that combines 2D temporal silhouettes with 3D SMPL features for robust gait analysis. Beyond identification, we introduce a multitask learning strategy that jointly performs gait recognition and human attribute estimation, including age, body mass index (BMI), and gender. A unified transformer is employed to effectively fuse multi-modal gait features and better learn attribute-related representations, while preserving discriminative identity cues. Extensive experiments on the large-scale BRIAR datasets, collected under challenging conditions such as long-range distances (up to 1 km) and extreme pitch angles (up to 50{\deg}), demonstrate that our approach outperforms state-of-the-art methods in gait recognition and provides accurate human attribute estimation. These results highlight the promise of multi-modal and multitask learning for advancing gait-based human understanding in real-world scenarios.
Authors: Alex Ayoub, Samuel Robertson, Dawen Liang, Harald Steck, Nathan Kallus
Abstract: Matrix factorization is a widely used approach for top-N recommendation and collaborative filtering. When implemented on implicit feedback data (such as clicks), a common heuristic is to upweight the observed interactions. This strategy has been shown to improve performance for certain algorithms. In this paper, we conduct a systematic study of various weighting schemes and matrix factorization algorithms. Somewhat surprisingly, we find that training with unweighted data can perform comparably to, and sometimes outperform, training with weighted data, especially for large models. This observation challenges the conventional wisdom. Nevertheless, we identify cases where weighting can be beneficial, particularly for models with lower capacity and specific regularization schemes. We also derive efficient algorithms for exactly minimizing several weighted objectives that were previously considered computationally intractable. Our work provides a comprehensive analysis of the interplay between weighting, regularization, and model capacity in matrix factorization for recommender systems.
Authors: Shaobo Wang, Cong Wang, Wenjie Fu, Yue Min, Mingquan Feng, Isabel Guan, Xuming Hu, Conghui He, Cunxiang Wang, Kexin Yang, Xingzhang Ren, Fei Huang, Dayiheng Liu, Linfeng Zhang
Abstract: As the demand for comprehensive evaluations of diverse model capabilities steadily increases, benchmark suites have correspondingly grown significantly in scale. Despite notable advances in redundancy reduction and subset-level performance prediction, a systematic framework that effectively integrates these methods to ensure both prediction accuracy and ranking consistency is still largely elusive. In this paper, we first perform a sample-level analysis of benchmark redundancy and identify several highly similar samples that can be eliminated. Besides, we frame benchmark compression as an optimization problem with the aim of score reconstruction. Building on these, we then propose EssenceBench, a coarse-to-fine framework utilizing an iterative Genetic Algorithm (GA), which takes the advantages of fitness-based subset search and attribution-based sample search. Compared to previous methods, our approach yields superior compression results with lower reconstruction error and markedly higher efficiency. In particular, on the HellaSwag benchmark (10K samples), our method preserves the ranking of all models shifting within 5% using 25x fewer samples, and achieves 95% ranking preservation shifting within 5% using only 200x fewer samples.
Authors: Chuang Chen, Wenyi Ge
Abstract: Environmental perception systems play a critical role in high-precision mapping and autonomous navigation, with LiDAR serving as a core sensor that provides accurate 3D point cloud data. How to efficiently process unstructured point clouds while extracting structured semantic information remains a significant challenge, and in recent years, numerous pseudo-image-based representation methods have emerged to achieve a balance between efficiency and performance. However, they often overlook the structural and semantic details of point clouds, resulting in limited feature fusion and discriminability. In this work, we propose DAGLFNet, a pseudo-image-based semantic segmentation framework designed to extract discriminative features. First, the Global-Local Feature Fusion Encoding module is used to enhance the correlation among local features within a set and capture global contextual information. Second, the Multi-Branch Feature Extraction network is employed to capture more neighborhood information and enhance the discriminability of contour features. Finally, a Feature Fusion via Deep Feature-guided Attention mechanism is introduced to improve the precision of cross-channel feature fusion. Experimental evaluations show that DAGLFNet achieves 69.83\% and 78.65\% on the validation sets of SemanticKITTI and nuScenes, respectively. The method balances high performance with real-time capability, demonstrating great potential for LiDAR-based real-time applications.
Authors: Norbert Tihanyi, Bilel Cherif, Richard A. Dubniczky, Mohamed Amine Ferrag, Tam\'as Bisztray
Abstract: In this paper, we present the first large-scale study exploring whether JavaScript code generated by Large Language Models (LLMs) can reveal which model produced it, enabling reliable authorship attribution and model fingerprinting. With the rapid rise of AI-generated code, attribution is playing a critical role in detecting vulnerabilities, flagging malicious content, and ensuring accountability. While AI-vs-human detection usually treats AI as a single category we show that individual LLMs leave unique stylistic signatures, even among models belonging to the same family or parameter size. To this end, we introduce LLM-NodeJS, a dataset of 50,000 Node.js back-end programs from 20 large language models. Each has four transformed variants, yielding 250,000 unique JavaScript samples and two additional representations (JSIR and AST) for diverse research applications. Using this dataset, we benchmark traditional machine learning classifiers against fine-tuned Transformer encoders and introduce CodeT5-JSA, a custom architecture derived from the 770M-parameter CodeT5 model with its decoder removed and a modified classification head. It achieves 95.8% accuracy on five-class attribution, 94.6% on ten-class, and 88.5% on twenty-class tasks, surpassing other tested models such as BERT, CodeBERT, and Longformer. We demonstrate that classifiers capture deeper stylistic regularities in program dataflow and structure, rather than relying on surface-level features. As a result, attribution remains effective even after mangling, comment removal, and heavy code transformations. To support open science and reproducibility, we release the LLM-NodeJS dataset, Google Colab training scripts, and all related materials on GitHub: https://github.com/LLM-NodeJS-dataset.
Authors: Kanishkha Jaisankar, Xiaoyang Jiang, Feifan Liao, Jeethu Sreenivas Amuthan
Abstract: Energy-efficient and high-performance motor control remains a critical challenge in robotics, particularly for high-dimensional continuous control tasks with limited onboard resources. While Deep Reinforcement Learning (DRL) has achieved remarkable results, its computational demands and energy consumption limit deployment in resource-constrained environments. This paper introduces a novel framework combining population-coded Spiking Neural Networks (SNNs) with DRL to address these challenges. Our approach leverages the event-driven, asynchronous computation of SNNs alongside the robust policy optimization capabilities of DRL, achieving a balance between energy efficiency and control performance. Central to this framework is the Population-coded Spiking Actor Network (PopSAN), which encodes high-dimensional observations into neuronal population activities and enables optimal policy learning through gradient-based updates. We evaluate our method on the Isaac Gym platform using the PixMC benchmark with complex robotic manipulation tasks. Experimental results on the Franka robotic arm demonstrate that our approach achieves energy savings of up to 96.10% compared to traditional Artificial Neural Networks (ANNs) while maintaining comparable control performance. The trained SNN policies exhibit robust finger position tracking with minimal deviation from commanded trajectories and stable target height maintenance during pick-and-place operations. These results position population-coded SNNs as a promising solution for energy-efficient, high-performance robotic control in resource-constrained applications, paving the way for scalable deployment in real-world robotics systems.
Authors: Wo Long, Wenxin Zeng, Xiaoyu Zhang, Ziyao Zhou
Abstract: This research develops a sentiment-driven quantitative trading system that leverages a large language model, FinGPT, for sentiment analysis, and explores a novel method for signal integration using a reinforcement learning algorithm, Twin Delayed Deep Deterministic Policy Gradient (TD3). We compare the performance of strategies that integrate sentiment and technical signals using both a conventional rule-based approach and a reinforcement learning framework. The results suggest that sentiment signals generated by FinGPT offer value when combined with traditional technical indicators, and that reinforcement learning algorithm presents a promising approach for effectively integrating heterogeneous signals in dynamic trading environments.
Authors: Heming Xia, Cunxiao Du, Rui Li, Chak Tou Leong, Yongqi Li, Wenjie Li
Abstract: Large reasoning models (LRMs) have demonstrated remarkable proficiency in tackling complex reasoning tasks through step-by-step thinking. However, such a lengthy reasoning process incurs substantial computational and latency overheads, hindering the practical deployment of these models. In this work, we present a new perspective on mitigating overthinking in LRMs via black-box adversarial prompting. By treating both open-source LRMs and closed-source APIs as black-box communicators, we investigate how to elicit concise responses without sacrificing accuracy. We introduce AdvPrompt, an iterative refinement framework that generates high-quality adversarial prompts from diverse perspectives. Experiments across multiple benchmarks demonstrate that AdvPrompt consistently reduces token usage while preserving performance. Notably, AdvPrompt achieves a 3x reduction in average response length on simple GSM8K questions for the Qwen3 model series, and delivers an average ~40% token reduction across four benchmarks. For closed-source APIs, AdvPrompt reduces token usage on MATH-500 by 35% for Claude-3.7 and 47% for Gemini-2.5. Further analysis reveals the generalizability of AdvPrompt across various model scales and families, underscoring the potential of black-box prompting as a practical and effective strategy for enhancing LRM efficiency.
Authors: Binyu Zhao, Wei Zhang, Zhaonian Zou
Abstract: Multi-modal learning has made significant advances across diverse pattern recognition applications. However, handling missing modalities, especially under imbalanced missing rates, remains a major challenge. This imbalance triggers a vicious cycle: modalities with higher missing rates receive fewer updates, leading to inconsistent learning progress and representational degradation that further diminishes their contribution. Existing methods typically focus on global dataset-level balancing, often overlooking critical sample-level variations in modality utility and the underlying issue of degraded feature quality. We propose Modality Capability Enhancement (MCE) to tackle these limitations. MCE includes two synergistic components: i) Learning Capability Enhancement (LCE), which introduces multi-level factors to dynamically balance modality-specific learning progress, and ii) Representation Capability Enhancement (RCE), which improves feature semantics and robustness through subset prediction and cross-modal completion tasks. Comprehensive evaluations on four multi-modal benchmarks show that MCE consistently outperforms state-of-the-art methods under various missing configurations. The journal preprint version is now available at https://doi.org/10.1016/j.patcog.2025.112591. Our code is available at https://github.com/byzhaoAI/MCE.
URLs: https://doi.org/10.1016/j.patcog.2025.112591., https://github.com/byzhaoAI/MCE.
Authors: Farouq Benchallal, Adel Hafiane, Nicolas Ragot, Raphael Canals
Abstract: Weed species classification represents an important step for the development of automated targeting systems that allow the adoption of precision agriculture practices. To reduce costs and yield losses caused by their presence. The identification of weeds is a challenging problem due to their shared similarities with crop plants and the variability related to the differences in terms of their types. Along with the variations in relation to changes in field conditions. Moreover, to fully benefit from deep learning-based methods, large fully annotated datasets are needed. This requires time intensive and laborious process for data labeling, which represents a limitation in agricultural applications. Hence, for the aim of improving the utilization of the unlabeled data, regarding conditions of scarcity in terms of the labeled data available during the learning phase and provide robust and high classification performance. We propose a deep semi-supervised approach, that combines consistency regularization with similarity learning. Through our developed deep auto-encoder architecture, experiments realized on the DeepWeeds dataset and inference in noisy conditions demonstrated the effectiveness and robustness of our method in comparison to state-of-the-art fully supervised deep learning models. Furthermore, we carried out ablation studies for an extended analysis of our proposed joint learning strategy.
Authors: Chenyu Jiang, Zhenkun Cai, Ye Tian, Zhen Jia, Yida Wang, Chuan Wu
Abstract: Context parallelism has emerged as a key technique to support long-context training, a growing trend in generative AI for modern large models. However, existing context parallel methods rely on static parallelization configurations that overlook the dynamic nature of training data, specifically, the variability in sequence lengths and token relationships (i.e., attention patterns) across samples. As a result, these methods often suffer from unnecessary communication overhead and imbalanced computation. In this paper, we present DCP, a dynamic context parallel training framework that introduces fine-grained blockwise partitioning of both data and computation. By enabling flexible mapping of data and computation blocks to devices, DCP can adapt to varying sequence characteristics, effectively reducing communication and improving memory and computation balance. Micro-benchmarks demonstrate that DCP accelerates attention by 1.19x~2.45x under causal masks and 2.15x~3.77x under sparse attention patterns. Additionally, we observe up to 0.94x~1.16x end-to-end training speed-up for causal masks, and 1.00x~1.46x for sparse masks.
Authors: Zhaolin Hu, Kun Li, Hehe Fan, Yi Yang
Abstract: Linear attention mechanisms have emerged as efficient alternatives to full self-attention in Graph Transformers, offering linear time complexity. However, existing linear attention models often suffer from a significant drop in expressiveness due to low-rank projection structures and overly uniform attention distributions. We theoretically prove that these properties reduce the class separability of node representations, limiting the model's classification ability. To address this, we propose a novel hybrid framework that enhances both the rank and focus of attention. Specifically, we enhance linear attention by attaching a gated local graph network branch to the value matrix, thereby increasing the rank of the resulting attention map. Furthermore, to alleviate the excessive smoothing effect inherent in linear attention, we introduce a learnable log-power function into the attention scores to reduce entropy and sharpen focus. We theoretically show that this function decreases entropy in the attention distribution, enhancing the separability of learned embeddings. Extensive experiments on both homophilic and heterophilic graph benchmarks demonstrate that our method achieves competitive performance while preserving the scalability of linear attention.
Authors: Haemin Choi, Gayathri Nadarajan
Abstract: Although student learning satisfaction has been widely studied, modern techniques such as interpretable machine learning and neural networks have not been sufficiently explored. This study demonstrates that a recent model that combines boosting with interpretability, automatic piecewise linear regression(APLR), offers the best fit for predicting learning satisfaction among several state-of-the-art approaches. Through the analysis of APLR's numerical and visual interpretations, students' time management and concentration abilities, perceived helpfulness to classmates, and participation in offline courses have the most significant positive impact on learning satisfaction. Surprisingly, involvement in creative activities did not positively affect learning satisfaction. Moreover, the contributing factors can be interpreted on an individual level, allowing educators to customize instructions according to student profiles.
Authors: Seyed Mohammad Hassan Erfani, Kara Lamb, Susanne Bauer, Kostas Tsigaridis, Marcus van Lier-Walqui, Gavin Schmidt
Abstract: Interactive composition simulations in Earth System Models (ESMs) are computationally expensive as they transport numerous gaseous and aerosol tracers at each timestep. This limits higher-resolution transient climate simulations with current computational resources. ESMs like NASA GISS-ModelE3 (ModelE) often use pre-computed monthly-averaged atmospheric composition concentrations (Non-Interactive Tracers or NINT) to reduce computational costs. While NINT significantly cuts computations, it fails to capture real-time feedback between aerosols and other climate processes by relying on pre-calculated fields. We extended the ModelE NINT version using machine learning (ML) to create Smart NINT, which emulates interactive emissions. Smart NINT interactively calculates concentrations using ML with surface emissions and meteorological data as inputs, avoiding full physics parameterizations. Our approach utilizes a spatiotemporal architecture that possesses a well-matched inductive bias to effectively capture the spatial and temporal dependencies in tracer evolution. Input data processed through the first 20 vertical levels (from the surface up to 656 hPa) using the ModelE OMA scheme. This vertical range covers nearly the entire BCB concentration distribution in the troposphere, where significant variation on short time horizons due to surface-level emissions is observed. Our evaluation shows excellent model performance with R-squared values of 0.92 and Pearson-r of 0.96 at the first pressure level. This high performance continues through level 15 (808.5 hPa), then gradually decreases as BCB concentrations drop significantly. The model maintains acceptable performance even when tested on data from entirely different periods outside the training domain, which is a crucial capability for climate modeling applications requiring reliable long-term projections.
Authors: Abdurakhmon Sadiev, Peter Richt\'arik, Ilyas Fatkhullin
Abstract: Heavy-tailed noise is pervasive in modern machine learning applications, arising from data heterogeneity, outliers, and non-stationary stochastic environments. While second-order methods can significantly accelerate convergence in light-tailed or bounded-noise settings, such algorithms are often brittle and lack guarantees under heavy-tailed noise -- precisely the regimes where robustness is most critical. In this work, we take a first step toward a theoretical understanding of second-order optimization under heavy-tailed noise. We consider a setting where stochastic gradients and Hessians have only bounded $p$-th moments, for some $p\in (1,2]$, and establish tight lower bounds on the sample complexity of any second-order method. We then develop a variant of normalized stochastic gradient descent that leverages second-order information and provably matches these lower bounds. To address the instability caused by large deviations, we introduce a novel algorithm based on gradient and Hessian clipping, and prove high-probability upper bounds that nearly match the fundamental limits. Our results provide the first comprehensive sample complexity characterization for second-order optimization under heavy-tailed noise. This positions Hessian clipping as a robust and theoretically sound strategy for second-order algorithm design in heavy-tailed regimes.
Authors: Yuma Ichikawa, Shuhei Kashiwamura, Ayaka Sakata
Abstract: Quantized neural network training optimizes a discrete, non-differentiable objective. The straight-through estimator (STE) enables backpropagation through surrogate gradients and is widely used. While previous studies have primarily focused on the properties of surrogate gradients and their convergence, the influence of quantization hyperparameters, such as bit width and quantization range, on learning dynamics remains largely unexplored. We theoretically show that in the high-dimensional limit, STE dynamics converge to a deterministic ordinary differential equation. This reveals that STE training exhibits a plateau followed by a sharp drop in generalization error, with plateau length depending on the quantization range. A fixed-point analysis quantifies the asymptotic deviation from the unquantized linear model. We also extend analytical techniques for stochastic gradient descent to nonlinear transformations of weights and inputs.
Authors: Nicholas Pischke
Abstract: We define a stochastic variant of the proximal point algorithm in the general setting of nonlinear (separable) Hadamard spaces for approximating zeros of the mean of a stochastically perturbed monotone vector field and prove its convergence under a suitable strong monotonicity assumption, together with a probabilistic independence assumption and a separability assumption on the tangent spaces. As a particular case, our results transfer previous work by P. Bianchi on that method in Hilbert spaces for the first time to Hadamard manifolds. Moreover, our convergence proof is fully effective and allows for the construction of explicit rates of convergence for the iteration towards the (unique) solution both in mean and almost surely. These rates are moreover highly uniform, being independent of most data surrounding the iteration, space or distribution. In that generality, these rates are novel already in the context of Hilbert spaces. Linear nonasymptotic guarantees under additional second-moment conditions on the Yosida approximates and special cases of stochastic convex minimization are discussed.
Authors: Yinhao Dong, Shan Jiang, Shi Li, Pan Peng
Abstract: We study streaming algorithms for Correlation Clustering. Given a graph as an arbitrary-order stream of edges, with each edge labeled as positive or negative, the goal is to partition the vertices into disjoint clusters, such that the number of disagreements is minimized. In this paper, we give the first learning-augmented streaming algorithms for the problem on both complete and general graphs, improving the best-known space-approximation tradeoffs. Based on the works of Cambus et al. (SODA'24) and Ahn et al. (ICML'15), our algorithms use the predictions of pairwise distances between vertices provided by a predictor. For complete graphs, our algorithm achieves a better-than-$3$ approximation under good prediction quality, while using $\tilde{O}(n)$ total space. For general graphs, our algorithm achieves an $O(\log |E^-|)$ approximation under good prediction quality using $\tilde{O}(n)$ total space, improving the best-known non-learning algorithm in terms of space efficiency. Experimental results on synthetic and real-world datasets demonstrate the superiority of our proposed algorithms over their non-learning counterparts.
Authors: Kyla Chasalow, Skyler Wu, Susan Murphy
Abstract: Missing data in online reinforcement learning (RL) poses challenges compared to missing data in standard tabular data or in offline policy learning. The need to impute and act at each time step means that imputation cannot be put off until enough data exist to produce stable imputation models. It also means future data collection and learning depend on previous imputations. This paper proposes fully online imputation ensembles. We find that maintaining multiple imputation pathways may help balance the need to capture uncertainty under missingness and the need for efficiency in online settings. We consider multiple approaches for incorporating these pathways into learning and action selection. Using a Grid World experiment with various types of missingness, we provide preliminary evidence that multiple imputation pathways may be a useful framework for constructing simple and efficient online missing data RL methods.
Authors: Ali Atiah Alzahrani
Abstract: We present a deep BSDE and 2BSDE solver that combines truncated log signatures with a neural rough differential equation backbone for high dimensional, path dependent valuation and control. The design aligns stochastic analysis with sequence to path learning, using a CVaR tilted objective to emphasize left tail risk and an optional second order head for risk sensitive control. Under equal compute and parameter budgets, the method improves accuracy, tail fidelity, and training stability across Asian and barrier option pricing and portfolio control tasks. At 200 dimensions, it achieves CVaR(0.99) = 9.8 percent compared to 12.0-13.1 percent for strong baselines, while attaining low HJB residuals and small RMSE for Z and Gamma. Ablations confirm complementary gains from the sequence to path representation and the second order structure. Overall, the results show that combining stochastic analysis with modern deep learning expands the class of solvable path dependent financial models at scale.
Authors: Yongxi Cao, Julian F. Schumann, Jens Kober, Joni Pajarinen, Arkady Zgonnikov
Abstract: Deep generative models such as conditional variational autoencoders (CVAEs) have shown great promise for predicting trajectories of surrounding agents in autonomous vehicle planning. State-of-the-art models have achieved remarkable accuracy in such prediction tasks. Besides accuracy, diversity is also crucial for safe planning because human behaviors are inherently uncertain and multimodal. However, existing methods generally lack a scheme to generate controllably diverse trajectories, which is arguably more useful than randomly diversified trajectories, to the end of safe planning. To address this, we propose PrefCVAE, an augmented CVAE framework that uses weakly labeled preference pairs to imbue latent variables with semantic attributes. Using average velocity as an example attribute, we demonstrate that PrefCVAE enables controllable, semantically meaningful predictions without degrading baseline accuracy. Our results show the effectiveness of preference supervision as a cost-effective way to enhance sampling-based generative models.
Authors: Yuan Xu, Zimu Zhang, Xiaoxuan Ma, Wentao Zhu, Yu Qiao, Yizhou Wang
Abstract: Virtual and augmented reality systems increasingly demand intelligent adaptation to user behaviors for enhanced interaction experiences. Achieving this requires accurately understanding human intentions and predicting future situated behaviors - such as gaze direction and object interactions - which is vital for creating responsive VR/AR environments and applications like personalized assistants. However, accurate behavioral prediction demands modeling the underlying cognitive processes that drive human-environment interactions. In this work, we introduce a hierarchical, intention-aware framework that models human intentions and predicts detailed situated behaviors by leveraging cognitive mechanisms. Given historical human dynamics and the observation of scene contexts, our framework first identifies potential interaction targets and forecasts fine-grained future behaviors. We propose a dynamic Graph Convolutional Network (GCN) to effectively capture human-environment relationships. Extensive experiments on challenging real-world benchmarks and live VR environment demonstrate the effectiveness of our approach, achieving superior performance across all metrics and enabling practical applications for proactive VR systems that anticipate user behaviors and adapt virtual environments accordingly.
Authors: Mario Morawski, Anais Despres, R\'emi Rehm
Abstract: Sequential data - ranging from financial time series to natural language - has driven the growing adoption of autoregressive models. However, these algorithms rely on the presence of underlying patterns in the data, and their identification often depends heavily on human expertise. Misinterpreting these patterns can lead to model misspecification, resulting in increased generalization error and degraded performance. The recently proposed evolving pattern (EvoRate) metric addresses this by using the mutual information between the next data point and its past to guide regression order estimation and feature selection. Building on this idea, we introduce a general framework based on predictive information, defined as the mutual information between the past and the future, $I(X_{past}; X_{future})$. This quantity naturally defines an information-theoretic learning curve, which quantifies the amount of predictive information available as the observation window grows. Using this formalism, we show that the presence or absence of temporal patterns fundamentally constrains the learnability of sequential models: even an optimal predictor cannot outperform the intrinsic information limit imposed by the data. We validate our framework through experiments on synthetic data, demonstrating its ability to assess model adequacy, quantify the inherent complexity of a dataset, and reveal interpretable structure in sequential data.
Authors: Mohammad Javad Ranjbar Kalahroodi, Heshaam Faili, Azadeh Shakery
Abstract: Persian Language, despite being spoken by over 100 million people worldwide, remains severely underrepresented in high-quality speech corpora, particularly for text-to-speech (TTS) synthesis applications. Existing Persian speech datasets are typically smaller than their English counterparts, which creates a key limitation for developing Persian speech technologies. We address this gap by introducing ParsVoice, the largest Persian speech corpus designed specifically for TTS applications. We created an automated pipeline that transforms raw audiobook content into TTS-ready data, incorporating components such as a BERT-based sentence completion detector, a binary search boundary optimization method for precise audio-text alignment, and multi-dimensional quality assessment frameworks tailored to Persian. The pipeline processes 2,000 audiobooks, yielding 3,526 hours of clean speech, which was further filtered into a 1,804-hour high-quality subset suitable for TTS, featuring more than 470 speakers. ParsVoice is the largest high-quality Persian speech dataset, offering speaker diversity and audio quality comparable to major English corpora. The complete dataset has been made publicly available to accelerate the development of Persian speech technologies and to serve as a template for other low-resource languages. The ParsVoice dataset is publicly available at ParsVoice (https://huggingface.co/datasets/MohammadJRanjbar/ParsVoice).
URLs: https://huggingface.co/datasets/MohammadJRanjbar/ParsVoice).
Authors: Md Abdullah Al Mazid, Liangdong Deng, Naphtali Rishe
Abstract: Clouds remain a critical challenge in optical satellite imagery, hindering reliable analysis for environmental monitoring, land cover mapping, and climate research. To overcome this, we propose MSCloudCAM, a Cross-Attention with Multi-Scale Context Network tailored for multispectral and multi-sensor cloud segmentation. Our framework exploits the spectral richness of Sentinel-2 (CloudSEN12) and Landsat-8 (L8Biome) data to classify four semantic categories: clear sky, thin cloud, thick cloud, and cloud shadow. MSCloudCAM combines a Swin Transformer backbone for hierarchical feature extraction with multi-scale context modules ASPP and PSP for enhanced scale-aware learning. A Cross-Attention block enables effective multisensor and multispectral feature fusion, while the integration of an Efficient Channel Attention Block (ECAB) and a Spatial Attention Module adaptively refine feature representations. Comprehensive experiments on CloudSEN12 and L8Biome demonstrate that MSCloudCAM delivers state-of-the-art segmentation accuracy, surpassing leading baseline architectures while maintaining competitive parameter efficiency and FLOPs. These results underscore the model's effectiveness and practicality, making it well-suited for large-scale Earth observation tasks and real-world applications.
Authors: Mihir Gupte, Paolo Giusto, Ramesh S
Abstract: Large Language Models (LLMs) are adept at generating responses based on information within their context. While this ability is useful for interacting with structured data like code files, another popular method, Retrieval-Augmented Generation (RAG), retrieves relevant documents to augment the model's in-context learning. However, it is not well-explored how to best represent this retrieved knowledge for generating responses on structured data, particularly hierarchical structures like trees. In this work, we propose a novel bottom-up method to linearize knowledge from tree-like structures (like a GitHub repository) by generating implicit, aggregated summaries at each hierarchical level. This approach enables the knowledge to be stored in a knowledge base and used directly with RAG. We then compare our method to using RAG on raw, unstructured code, evaluating the accuracy and quality of the generated responses. Our results show that while response quality is comparable across both methods, our approach generates over 68% fewer documents in the retriever, a significant gain in efficiency. This finding suggests that leveraging implicit, linearized knowledge may be a highly effective and scalable strategy for handling complex, hierarchical data structures.
Authors: Gabriel Smithline, Scott Nivison
Abstract: Effectively positioning pursuers in pursuit-evasion games without prior knowledge of evader locations remains a significant challenge. A novel approach that combines game-theoretic control theory with Graph Neural Networks is introduced in this work. By conceptualizing pursuer configurations as strategic arrangements and representing them as graphs, a Graph Characteristic Space is constructed via multi-objective optimization to identify Pareto-optimal configurations. A Graph Convolutional Network (GCN) is trained on these Pareto-optimal graphs to generate strategically effective initial configurations, termed "hot starts". Empirical evaluations demonstrate that the GCN-generated hot starts provide a significant advantage over random configurations. In scenarios considering multiple pursuers and evaders, this method hastens the decline in evader survival rates, reduces pursuer travel distances, and enhances containment, showcasing clear strategic benefits.
Authors: Shudong Sun, Hao Helen Zhang
Abstract: Transfer learning has become a cornerstone of modern machine learning, as it can empower models by leveraging knowledge from related domains to improve learning effectiveness. However, transferring from poorly aligned data can harm rather than help performance, making it crucial to determine whether the transfer will be beneficial before implementation. This work aims to address this challenge by proposing an innovative metric to measure dataset similarity and provide quantitative guidance on transferability. In the literature, existing methods largely focus on feature distributions while overlooking label information and predictive relationships, potentially missing critical transferability insights. In contrast, our proposed metric, the Cross-Learning Score (CLS), measures dataset similarity through bidirectional generalization performance between domains. We provide a theoretical justification for CLS by establishing its connection to the cosine similarity between the decision boundaries for the target and source datasets. Computationally, CLS is efficient and fast to compute as it bypasses the problem of expensive distribution estimation for high-dimensional problems. We further introduce a general framework that categorizes source datasets into positive, ambiguous, or negative transfer zones based on their CLS relative to the baseline error, enabling informed decisions. Additionally, we extend this approach to encoder-head architectures in deep learning to better reflect modern transfer pipelines. Extensive experiments on diverse synthetic and real-world tasks demonstrate that CLS can reliably predict whether transfer will improve or degrade performance, offering a principled tool for guiding data selection in transfer learning.
Authors: Chenze Li, Subhadeep Paul
Abstract: Random forest is an important method for ML applications due to its broad outperformance over competing methods for structured tabular data. We propose a method for transfer learning in nonparametric regression using a centered random forest (CRF) with distance covariance-based feature weights, assuming the unknown source and target regression functions are different for a few features (sparsely different). Our method first obtains residuals from predicting the response in the target domain using a source domain-trained CRF. Then, we fit another CRF to the residuals, but with feature splitting probabilities proportional to the sample distance covariance between the features and the residuals in an independent sample. We derive an upper bound on the mean square error rate of the procedure as a function of sample sizes and difference dimension, theoretically demonstrating transfer learning benefits in random forests. In simulations, we show that the results obtained for the CRFs also hold numerically for the standard random forest (SRF) method with data-driven feature split selection. Beyond transfer learning, our results also show the benefit of distance-covariance-based weights on the performance of RF in some situations. Our method shows significant gains in predicting the mortality of ICU patients in smaller-bed target hospitals using a large multi-hospital dataset of electronic health records for 200,000 ICU patients.
Authors: Junwon You, Dasol Kang, Jae-Hun Jung
Abstract: Contrastive Vision-Language Models (VLMs) have demonstrated strong zero-shot capabilities. However, their cross-modal alignment remains biased toward English due to limited multilingual multimodal data. Recent multilingual extensions have alleviated this gap but enforce instance-level alignment while neglecting the global geometry of the shared embedding space. We address this problem by introducing ToMCLIP (Topological Alignment for Multilingual CLIP), a topology-aware framework aligning embedding spaces with topology-preserving constraints. The proposed method applies persistent homology to define a topological alignment loss and approximates persistence diagram with theoretical error bounds using graph sparsification strategy. This work validates the proposed approach, showing enhanced structural coherence of multilingual representations, higher zero-shot accuracy on the CIFAR-100, and stronger multilingual retrieval performance on the xFlickr&CO. Beyond VLMs, the proposed approach provides a general method for incorporating topological alignment into representation learning.
Authors: Geon Yeong Park, Inhwa Han, Serin Yang, Yeobin Hong, Seongmin Jeong, Heechan Jeon, Myeongjin Goh, Sung Won Yi, Jin Nam, Jong Chul Ye
Abstract: The exponential growth of the global makeup market has paralleled advancements in virtual makeup simulation technology. Despite the progress led by GANs, their application still encounters significant challenges, including training instability and limited customization capabilities. Addressing these challenges, we introduce DreamMakup - a novel training-free Diffusion model based Makeup Customization method, leveraging the inherent advantages of diffusion models for superior controllability and precise real-image editing. DreamMakeup employs early-stopped DDIM inversion to preserve the facial structure and identity while enabling extensive customization through various conditioning inputs such as reference images, specific RGB colors, and textual descriptions. Our model demonstrates notable improvements over existing GAN-based and recent diffusion-based frameworks - improved customization, color-matching capabilities, identity preservation and compatibility with textual descriptions or LLMs with affordable computational costs.
Authors: Chunyu Xie, Bin Wang, Fanjing Kong, Jincheng Li, Dawei Liang, Ji Ao, Dawei Leng, Yuhui Yin
Abstract: Fine-grained vision-language understanding requires precise alignment between visual content and linguistic descriptions, a capability that remains limited in current models, particularly in non-English settings. While models like CLIP perform well on global alignment, they often struggle to capture fine-grained details in object attributes, spatial relations, and linguistic expressions, with limited support for bilingual comprehension. To address these challenges, we introduce FG-CLIP 2, a bilingual vision-language model designed to advance fine-grained alignment for both English and Chinese. Our approach leverages rich fine-grained supervision, including region-text matching and long-caption modeling, alongside multiple discriminative objectives. We further introduce the Textual Intra-modal Contrastive (TIC) loss to better distinguish semantically similar captions. Trained on a carefully curated mixture of large-scale English and Chinese data, FG-CLIP 2 achieves powerful bilingual performance. To enable rigorous evaluation, we present a new benchmark for Chinese multimodal understanding, featuring long-caption retrieval and bounding box classification. Extensive experiments on 29 datasets across 8 tasks show that FG-CLIP 2 outperforms existing methods, achieving state-of-the-art results in both languages. We release the model, code, and benchmark to facilitate future research on bilingual fine-grained alignment.
Authors: Anirudh Ganesh, Jayavardhan Reddy
Abstract: We present a reproducibility study of the state-of-the-art neural architecture for sequence labeling proposed by Ma and Hovy (2016)\cite{ma2016end}. The original BiLSTM-CNN-CRF model combines character-level representations via Convolutional Neural Networks (CNNs), word-level context modeling through Bi-directional Long Short-Term Memory networks (BiLSTMs), and structured prediction using Conditional Random Fields (CRFs). This end-to-end approach eliminates the need for hand-crafted features while achieving excellent performance on named entity recognition (NER) and part-of-speech (POS) tagging tasks. Our implementation successfully reproduces the key results, achieving 91.18\% F1-score on CoNLL-2003 NER and demonstrating the model's effectiveness across sequence labeling tasks. We provide a detailed analysis of the architecture components and release an open-source PyTorch implementation to facilitate further research.
Authors: Maral Doctorarastoo, Katherine A. Flanigan, Mario Berg\'es, Christopher McComb
Abstract: The capacity to predict human spatial preferences within built environments is instrumental for developing Cyber-Physical-Social Infrastructure Systems (CPSIS). A significant challenge in this domain is the generalizability of preference models, particularly their efficacy in predicting preferences within environmental configurations not encountered during training. While deep learning models have shown promise in learning complex spatial and contextual dependencies, it remains unclear which neural network architectures are most effective at generalizing to unseen layouts. To address this, we conduct a comparative study of Graph Neural Networks, Convolutional Neural Networks, and standard feedforward Neural Networks using synthetic data generated from a simplified and synthetic pocket park environment. Beginning with this illustrative case study, allows for controlled analysis of each model's ability to transfer learned preference patterns to unseen spatial scenarios. The models are evaluated based on their capacity to predict preferences influenced by heterogeneous physical, environmental, and social features. Generalizability score is calculated using the area under the precision-recall curve for the seen and unseen layouts. This generalizability score is appropriate for imbalanced data, providing insights into the suitability of each neural network architecture for preference-aware human behavior modeling in unseen built environments.
Authors: Sanchit Sinha, Oana Frunza, Kashif Rasul, Yuriy Nevmyvaka, Aidong Zhang
Abstract: The capabilities of Large Vision-Language Models (LVLMs) have reached state-of-the-art on many visual reasoning tasks, including chart reasoning, yet they still falter on out-of-distribution (OOD) data, and degrade further when asked to produce their chain-of-thought (CoT) rationales, limiting explainability. We present Chart-RVR, a general framework that fine-tunes LVLMs to be more robust and explainable for chart reasoning by coupling Group Relative Policy Optimization (GRPO) with automatically verifiable rewards. Our framework comprises of three rewards that maximize: (i) correct chart-type classification, (ii) faithful chart table reconstruction, and (iii) process conformity. Applied to 3-billion-parameter LVLMs, Chart-RVR consistently outperforms standard supervised fine-tuning (SFT) on both in-distribution and out-of-distribution datasets, closing the OOD performance gap while improving rationale fidelity. The resulting models, the Chart-RVR-3B series, achieve state-of-the-art results on six chart-reasoning benchmarks spanning in-domain and OOD settings, surpassing all existing models of comparable size. Beyond accuracy, Chart-RVR yields more interpretable CoT rationales, strengthening trust and reliability - showcasing the power of verifiable rewards with GRPO for training reliable, interpretable chart-reasoning models.
Authors: Tomoya Wakayama, Taiji Suzuki
Abstract: This paper develops a finite-sample statistical theory for in-context learning (ICL), analyzed within a meta-learning framework that accommodates mixtures of diverse task types. We introduce a principled risk decomposition that separates the total ICL risk into two orthogonal components: Bayes Gap and Posterior Variance. The Bayes Gap quantifies how well the trained model approximates the Bayes-optimal in-context predictor. For a uniform-attention Transformer, we derive a non-asymptotic upper bound on this gap, which explicitly clarifies the dependence on the number of pretraining prompts and their context length. The Posterior Variance is a model-independent risk representing the intrinsic task uncertainty. Our key finding is that this term is determined solely by the difficulty of the true underlying task, while the uncertainty arising from the task mixture vanishes exponentially fast with only a few in-context examples. Together, these results provide a unified view of ICL: the Transformer selects the optimal meta-algorithm during pretraining and rapidly converges to the optimal algorithm for the true task at test time.
Authors: Yannis Montreuil, Letian Yu, Axel Carlier, Lai Xing Ng, Wei Tsang Ooi
Abstract: Learning-to-Defer (L2D) enables hybrid decision-making by routing inputs either to a predictor or to external experts. While promising, L2D is highly vulnerable to adversarial perturbations, which can not only flip predictions but also manipulate deferral decisions. Prior robustness analyses focus solely on two-stage settings, leaving open the end-to-end (one-stage) case where predictor and allocation are trained jointly. We introduce the first framework for adversarial robustness in one-stage L2D, covering both classification and regression. Our approach formalizes attacks, proposes cost-sensitive adversarial surrogate losses, and establishes theoretical guarantees including $\mathcal{H}$, $(\mathcal{R }, \mathcal{F})$, and Bayes consistency. Experiments on benchmark datasets confirm that our methods improve robustness against untargeted and targeted attacks while preserving clean performance.
Authors: Mahika Phutane, Hayoung Jung, Matthew Kim, Tanushree Mitra, Aditya Vashistha
Abstract: Large language models (LLMs) are increasingly under scrutiny for perpetuating identity-based discrimination in high-stakes domains such as hiring, particularly against people with disabilities (PwD). However, existing research remains largely Western-centric, overlooking how intersecting forms of marginalization--such as gender and caste--shape experiences of PwD in the Global South. We conduct a comprehensive audit of six LLMs across 2,820 hiring scenarios spanning diverse disability, gender, nationality, and caste profiles. To capture subtle intersectional harms and biases, we introduce ABLEIST (Ableism, Inspiration, Superhumanization, and Tokenism), a set of five ableism-specific and three intersectional harm metrics grounded in disability studies literature. Our results reveal significant increases in ABLEIST harms towards disabled candidates--harms that many state-of-the-art models failed to detect. These harms were further amplified by sharp increases in intersectional harms (e.g., Tokenism) for gender and caste-marginalized disabled candidates, highlighting critical blind spots in current safety tools and the need for intersectional safety evaluations of frontier models in high-stakes domains like hiring.
Authors: Farzaneh Zirak, Farhana Choudhury, Renata Borovica-Gajic
Abstract: Data prefetching--loading data into the cache before it is requested--is essential for reducing I/O overhead and improving database performance. While traditional prefetchers focus on sequential patterns, recent learning-based approaches, especially those leveraging data semantics, achieve higher accuracy for complex access patterns. However, these methods often struggle with today's dynamic, ever-growing datasets and require frequent, timely fine-tuning. Privacy constraints may also restrict access to complete datasets, necessitating prefetchers that can learn effectively from samples. To address these challenges, we present GrASP, a learning-based prefetcher designed for both analytical and transactional workloads. GrASP enhances prefetching accuracy and scalability by leveraging logical block address deltas and combining query representations with result encodings. It frames prefetching as a context-aware multi-label classification task, using multi-layer LSTMs to predict delta patterns from embedded context. This delta modeling approach enables GrASP to generalize predictions from small samples to larger, dynamic datasets without requiring extensive retraining. Experiments on real-world datasets and industrial benchmarks demonstrate that GrASP generalizes to datasets 250 times larger than the training data, achieving up to 45% higher hit ratios, 60% lower I/O time, and 55% lower end-to-end query execution latency than existing baselines. On average, GrASP attains a 91.4% hit ratio, a 90.8% I/O time reduction, and a 57.1% execution latency reduction.
Authors: Huayi Wang, Wentao Zhang, Runyi Yu, Tao Huang, Junli Ren, Feiyu Jia, Zirui Wang, Xiaojie Niu, Xiao Chen, Jiahe Chen, Qifeng Chen, Jingbo Wang, Jiangmiao Pang
Abstract: Deploying humanoid robots to interact with real-world environments--such as carrying objects or sitting on chairs--requires generalizable, lifelike motions and robust scene perception. Although prior approaches have advanced each capability individually, combining them in a unified system is still an ongoing challenge. In this work, we present a physical-world humanoid-scene interaction system, PhysHSI, that enables humanoids to autonomously perform diverse interaction tasks while maintaining natural and lifelike behaviors. PhysHSI comprises a simulation training pipeline and a real-world deployment system. In simulation, we adopt adversarial motion prior-based policy learning to imitate natural humanoid-scene interaction data across diverse scenarios, achieving both generalization and lifelike behaviors. For real-world deployment, we introduce a coarse-to-fine object localization module that combines LiDAR and camera inputs to provide continuous and robust scene perception. We validate PhysHSI on four representative interactive tasks--box carrying, sitting, lying, and standing up--in both simulation and real-world settings, demonstrating consistently high success rates, strong generalization across diverse task goals, and natural motion patterns.
Authors: Xiucheng Wang, Zien Wang, Nan Cheng, Wenchao Xu, Wei Quan, Xuemin Shen
Abstract: The increase of bandwidth-intensive applications in sixth-generation (6G) wireless networks, such as real-time volumetric streaming and multi-sensory extended reality, demands intelligent multicast routing solutions capable of delivering differentiated quality-of-service (QoS) at scale. Traditional shortest-path and multicast routing algorithms are either computationally prohibitive or structurally rigid, and they often fail to support heterogeneous user demands, leading to suboptimal resource utilization. Neural network-based approaches, while offering improved inference speed, typically lack topological generalization and scalability. To address these limitations, this paper presents a graph neural network (GNN)-based multicast routing framework that jointly minimizes total transmission cost and supports user-specific video quality requirements. The routing problem is formulated as a constrained minimum-flow optimization task, and a reinforcement learning algorithm is developed to sequentially construct efficient multicast trees by reusing paths and adapting to network dynamics. A graph attention network (GAT) is employed as the encoder to extract context-aware node embeddings, while a long short-term memory (LSTM) module models the sequential dependencies in routing decisions. Extensive simulations demonstrate that the proposed method closely approximates optimal dynamic programming-based solutions while significantly reducing computational complexity. The results also confirm strong generalization to large-scale and dynamic network topologies, highlighting the method's potential for real-time deployment in 6G multimedia delivery scenarios. Code is available at https://github.com/UNIC-Lab/GNN-Routing.
Authors: Louis Berthier, Ahmed Shokry, Maxime Moreaud, Guillaume Ramelet, Eric Moulines
Abstract: This paper introduces torchsom, an open-source Python library that provides a reference implementation of the Self-Organizing Map (SOM) in PyTorch. This package offers three main features: (i) dimensionality reduction, (ii) clustering, and (iii) friendly data visualization. It relies on a PyTorch backend, enabling (i) fast and efficient training of SOMs through GPU acceleration, and (ii) easy and scalable integrations with PyTorch ecosystem. Moreover, torchsom follows the scikit-learn API for ease of use and extensibility. The library is released under the Apache 2.0 license with 90% test coverage, and its source code and documentation are available at https://github.com/michelin/TorchSOM.
Authors: Weilong Chen, Franz G\"orlich, Paul Fuchs, Julija Zavadlav
Abstract: Coarse-graining (CG) enables molecular dynamics (MD) simulations of larger systems and longer timescales that are otherwise infeasible with atomistic models. Machine learning potentials (MLPs), with their capacity to capture many-body interactions, can provide accurate approximations of the potential of mean force (PMF) in CG models. Current CG MLPs are typically trained in a bottom-up manner via force matching, which in practice relies on configurations sampled from the unbiased equilibrium Boltzmann distribution to ensure thermodynamic consistency. This convention poses two key limitations: first, sufficiently long atomistic trajectories are needed to reach convergence; and second, even once equilibrated, transition regions remain poorly sampled. To address these issues, we employ enhanced sampling to bias along CG degrees of freedom for data generation, and then recompute the forces with respect to the unbiased potential. This strategy simultaneously shortens the simulation time required to produce equilibrated data and enriches sampling in transition regions, while preserving the correct PMF. We demonstrate its effectiveness on the M\"uller-Brown potential and capped alanine, achieving notable improvements. Our findings support the use of enhanced sampling for force matching as a promising direction to improve the accuracy and reliability of CG MLPs.
Authors: Hind Atbir, Farah Cherfaoui, Guillaume Metzler, Emilie Morvant, Paul Viallard
Abstract: PAC generalization bounds on the risk, when expressed in terms of the expected loss, are often insufficient to capture imbalances between subgroups in the data. To overcome this limitation, we introduce a new family of risk measures, called constrained f-entropic risk measures, which enable finer control over distributional shifts and subgroup imbalances via f-divergences, and include the Conditional Value at Risk (CVaR), a well-known risk measure. We derive both classical and disintegrated PAC-Bayesian generalization bounds for this family of risks, providing the first disintegratedPAC-Bayesian guarantees beyond standard risks. Building on this theory, we design a self-bounding algorithm that minimizes our bounds directly, yielding models with guarantees at the subgroup level. Finally, we empirically demonstrate the usefulness of our approach.
Authors: Sadra Saremi, Amirhossein Ahmadkhan Kordbacheh
Abstract: High-intensity laser plasma interactions create complex computational problems because they involve both fluid and kinetic regimes, which need models that maintain physical precision while keeping computational speed. The research introduces a machine learning-based three-dimensional hybrid fluid-particle-in-cell (PIC) system, which links relativistic plasma behavior to automatic regime transitions. The technique employs fluid approximations for stable areas but activates the PIC solver when SwitchNet directs it to unstable sections through its training on physics-based synthetic data. The model uses a smooth transition between Ammosov-Delone-Krainov (ADK) tunneling and multiphoton ionization rates to simulate ionization, while Airy-function approximations simulate quantum electrodynamic (QED) effects for radiation reaction and pair production. The convolutional neural network applies energy conservation through physics-based loss functions, which operate on normalized fields per channel. Monte Carlo dropout provides uncertainty measurement. The hybrid model produces precise predictions with coefficient of determination (R^2) values above 0.95 and mean squared errors below 10^-4 for all field components. This adaptive approach enhances the accuracy and scalability of laser-plasma simulations, providing a unified predictive framework for high-energy-density and particle acceleration applications.
Authors: Jo\~ao Paulo Cardoso de Lima, Marc Dietrich, Jeronimo Castrillon, Asif Ali Khan
Abstract: Structured sparsity enables deploying large language models (LLMs) on resource-constrained systems. Approaches like dense-to-sparse fine-tuning are particularly compelling, achieving remarkable structured sparsity by reducing the model size by over 6.7x, while still maintaining acceptable accuracy. Despite this reduction, LLM inference, especially the decode stage being inherently memory-bound, is extremely expensive on conventional Von-Neumann architectures. Compute-in-memory (CIM) architectures mitigate this by performing computations directly in memory, and when paired with sparse LLMs, enable storing and computing the entire model in memory, eliminating the data movement on the off-chip bus and improving efficiency. Nonetheless, naively mapping sparse matrices onto CIM arrays leads to poor array utilization and diminished computational efficiency. In this paper, we present an automated framework with novel mapping and scheduling strategies to accelerate sparse LLM inference on CIM accelerators. By exploiting block-diagonal sparsity, our approach improves CIM array utilization by over 50%, achieving more than 4x reduction in both memory footprint and the number of required floating-point operations.
Authors: Yisong Miao, Min-Yen Kan
Abstract: Which components in transformer language models are responsible for discourse understanding? We hypothesize that sparse computational graphs, termed as discursive circuits, control how models process discourse relations. Unlike simpler tasks, discourse relations involve longer spans and complex reasoning. To make circuit discovery feasible, we introduce a task called Completion under Discourse Relation (CuDR), where a model completes a discourse given a specified relation. To support this task, we construct a corpus of minimal contrastive pairs tailored for activation patching in circuit discovery. Experiments show that sparse circuits ($\approx 0.2\%$ of a full GPT-2 model) recover discourse understanding in the English PDTB-based CuDR task. These circuits generalize well to unseen discourse frameworks such as RST and SDRT. Further analysis shows lower layers capture linguistic features such as lexical semantics and coreference, while upper layers encode discourse-level abstractions. Feature utility is consistent across frameworks (e.g., coreference supports Expansion-like relations).
Authors: Neilansh Chauhan, Piyush Kumar Gupta, Faraz Doja
Abstract: Effective pneumonia diagnosis is often challenged by the difficulty of deploying large, computationally expensive deep learning models in resource-limited settings. This study introduces LightPneumoNet, an efficient, lightweight convolutional neural network (CNN) built from scratch to provide an accessible and accurate diagnostic solution for pneumonia detection from chest X-rays. Our model was trained on a public dataset of 5,856 chest X-ray images. Preprocessing included image resizing to 224x224, grayscale conversion, and pixel normalization, with data augmentation (rotation, zoom, shear) to prevent overfitting. The custom architecture features four blocks of stacked convolutional layers and contains only 388,082 trainable parameters, resulting in a minimal 1.48 MB memory footprint. On the independent test set, our model delivered exceptional performance, achieving an overall accuracy of 0.942, precision of 0.92, and an F1-Score of 0.96. Critically, it obtained a sensitivity (recall) of 0.99, demonstrating a near-perfect ability to identify true pneumonia cases and minimize clinically significant false negatives. Notably, LightPneumoNet achieves this high recall on the same dataset where existing approaches typically require significantly heavier architectures or fail to reach comparable sensitivity levels. The model's efficiency enables deployment on low-cost hardware, making advanced computer-aided diagnosis accessible in underserved clinics and serving as a reliable second-opinion tool to improve patient outcomes.
Authors: Katarina Dyreby, Francisco Caldas, Cl\'audia Soares
Abstract: In the era of mega-constellations, the need for accurate and publicly available information has become fundamental for satellite operators to guarantee the safety of spacecrafts and the Low Earth Orbit (LEO) space environment. This study critically evaluates the accuracy and reliability of publicly available ephemeris data for a LEO mega-constellation - Starlink. The goal of this work is twofold: (i) compare and analyze the quality of the data against high-precision numerical propagation. (ii) Leverage Physics-Informed Machine Learning to extract relevant satellite quantities, such as non-conservative forces, during the decay process. By analyzing two months of real orbital data for approximately 1500 Starlink satellites, we identify discrepancies between high precision numerical algorithms and the published ephemerides, recognizing the use of simplified dynamics at fixed thresholds, planned maneuvers, and limitations in uncertainty propagations. Furthermore, we compare data obtained from multiple sources to track and analyze deorbiting satellites over the same period. Empirically, we extract the acceleration profile of satellites during deorbiting and provide insights relating to the effects of non-conservative forces during reentry. For non-deorbiting satellites, the position Root Mean Square Error (RMSE) was approximately 300 m, while for deorbiting satellites it increased to about 600 m. Through this in-depth analysis, we highlight potential limitations in publicly available data for accurate and robust Space Situational Awareness (SSA), and importantly, we propose a data-driven model of satellite decay in mega-constellations.
Authors: Rui Xu, Jiawei Chen, Zhaoxia Yin, Cong Kong, Xinpeng Zhang
Abstract: The widespread use of large language models (LLMs) and open-source code has raised ethical and security concerns regarding the distribution and attribution of source code, including unauthorized redistribution, license violations, and misuse of code for malicious purposes. Watermarking has emerged as a promising solution for source attribution, but existing techniques rely heavily on hand-crafted transformation rules, abstract syntax tree (AST) manipulation, or task-specific training, limiting their scalability and generality across languages. Moreover, their robustness against attacks remains limited. To address these limitations, we propose CodeMark-LLM, an LLM-driven watermarking framework that embeds watermark into source code without compromising its semantics or readability. CodeMark-LLM consists of two core components: (i) Semantically Consistent Embedding module that applies functionality-preserving transformations to encode watermark bits, and (ii) Differential Comparison Extraction module that identifies the applied transformations by comparing the original and watermarked code. Leveraging the cross-lingual generalization ability of LLM, CodeMark-LLM avoids language-specific engineering and training pipelines. Extensive experiments across diverse programming languages and attack scenarios demonstrate its robustness, effectiveness, and scalability.
Authors: Yuhui Fu, Feiyang Xie, Chaoyi Xu, Jing Xiong, Haoqi Yuan, Zongqing Lu
Abstract: Loco-manipulation is a fundamental challenge for humanoid robots to achieve versatile interactions in human environments. Although recent studies have made significant progress in humanoid whole-body control, loco-manipulation remains underexplored and often relies on hard-coded task definitions or costly real-world data collection, which limits autonomy and generalization. We present DemoHLM, a framework for humanoid loco-manipulation that enables generalizable loco-manipulation on a real humanoid robot from a single demonstration in simulation. DemoHLM adopts a hierarchy that integrates a low-level universal whole-body controller with high-level manipulation policies for multiple tasks. The whole-body controller maps whole-body motion commands to joint torques and provides omnidirectional mobility for the humanoid robot. The manipulation policies, learned in simulation via our data generation and imitation learning pipeline, command the whole-body controller with closed-loop visual feedback to execute challenging loco-manipulation tasks. Experiments show a positive correlation between the amount of synthetic data and policy performance, underscoring the effectiveness of our data generation pipeline and the data efficiency of our approach. Real-world experiments on a Unitree G1 robot equipped with an RGB-D camera validate the sim-to-real transferability of DemoHLM, demonstrating robust performance under spatial variations across ten loco-manipulation tasks.
Authors: Ana Sofia Carmo, Louren\c{c}o Abrunhosa Rodrigues, Ana Rita Peralta, Ana Fred, Carla Bentes, Hugo Pl\'acido da Silva
Abstract: The lack of standardization in seizure forecasting slows progress in the field and limits the clinical translation of forecasting models. In this work, we introduce a Python-based framework aimed at streamlining the development, assessment, and documentation of individualized seizure forecasting algorithms. The framework automates data labeling, cross-validation splitting, forecast post-processing, performance evaluation, and reporting. It supports various forecasting horizons and includes a model card that documents implementation details, training and evaluation settings, and performance metrics. Three different models were implemented as a proof-of-concept. The models leveraged features extracted from time series data and seizure periodicity. Model performance was assessed using time series cross-validation and key deterministic and probabilistic metrics. Implementation of the three models was successful, demonstrating the flexibility of the framework. The results also emphasize the importance of careful model interpretation due to variations in probability scaling, calibration, and subject-specific differences. Although formal usability metrics were not recorded, empirical observations suggest reduced development time and methodological consistency, minimizing unintentional variations that could affect the comparability of different approaches. As a proof-of-concept, this validation is inherently limited, relying on a single-user experiment without statistical analyses or replication across independent datasets. At this stage, our objective is to make the framework publicly available to foster community engagement, facilitate experimentation, and gather feedback. In the long term, we aim to contribute to the establishment of a consensus on a standardized methodology for the development and validation of seizure forecasting algorithms in people with epilepsy.
Authors: Muhammad Bilal, Xiaolong Xu
Abstract: This work presents a Network-Optimised Spiking (NOS) delay-aware scheduler for 6G radio access. The scheme couples a bounded two-state kernel to a clique-feasible proportional-fair (PF) grant head: the excitability state acts as a finite-buffer proxy, the recovery state suppresses repeated grants, and neighbour pressure is injected along the interference graph via delayed spikes. A small-signal analysis yields a delay-dependent threshold $k_\star(\Delta)$ and a spectral margin $\delta = k_\star(\Delta) - gH\rho(W)$ that compress topology, controller gain, and delay into a single design parameter. Under light assumptions on arrivals, we prove geometric ergodicity for $\delta>0$ and derive sub-Gaussian backlog and delay tail bounds with exponents proportional to $\delta$. A numerical study, aligned with the analysis and a DU compute budget, compares NOS with PF and delayed backpressure (BP) across interference topologies over a $5$--$20$\,ms delay sweep. With a single gain fixed at the worst spectral radius, NOS sustains higher utilisation and a smaller 99.9th-percentile delay while remaining clique-feasible on integer PRBs.
Authors: Lin Zhu, Yifeng Yang, Xinbing Wang, Qinying Gu, Nanyang Ye
Abstract: Recent approaches for vision-language models (VLMs) have shown remarkable success in achieving fast downstream adaptation. When applied to real-world downstream tasks, VLMs inevitably encounter both the in-distribution (ID) data and out-of-distribution (OOD) data. The OOD datasets often include both covariate shifts (e.g., known classes with changes in image styles) and semantic shifts (e.g., test-time unseen classes). This highlights the importance of improving VLMs' generalization ability to covariate-shifted OOD data, while effectively detecting open-set semantic-shifted OOD classes. In this paper, inspired by the substantial energy change observed in closed-set data when re-aligning vision-language modalities (specifically by directly reducing the maximum cosine similarity to a low value), we introduce a novel OOD score, named {\Delta}Energy. {\Delta}Energy significantly outperforms the vanilla energy-based OOD score and provides a more reliable approach for OOD detection. Furthermore, {\Delta}Energy can simultaneously improve OOD generalization under covariate shifts, which is achieved by lower-bound maximization for {\Delta}Energy (termed EBM). EBM is theoretically proven to not only enhance OOD detection but also yields a domain-consistent Hessian, which serves as a strong indicator for OOD generalization. Based on this finding, we developed a unified fine-tuning framework that allows for improving VLMs' robustness in both OOD generalization and OOD detection. Extensive experiments on challenging OOD detection and generalization benchmarks demonstrate the superiority of our method, outperforming recent approaches by 10% to 25% in AUROC.
Authors: Samer Al-Hamadani
Abstract: Object detection systems have traditionally relied on supervised learning with manually annotated bounding boxes, achieving high accuracy at the cost of substantial annotation investment. The emergence of Vision-Language Models (VLMs) offers an alternative paradigm enabling zero-shot detection through natural language queries, eliminating annotation requirements but operating with reduced accuracy. This paper presents the first comprehensive cost-effectiveness analysis comparing supervised detection (YOLO) with zero-shot VLM inference (Gemini Flash 2.5). Through systematic evaluation on 1,000 stratified COCO images and 200 diverse product images spanning consumer electronics and rare categories, combined with detailed Total Cost of Ownership modeling, we establish quantitative break-even thresholds governing architecture selection. Our findings reveal that supervised YOLO achieves 91.2% accuracy versus 68.5% for zero-shot Gemini on standard categories, representing a 22.7 percentage point advantage that costs $10,800 in annotation for 100-category systems. However, this advantage justifies investment only beyond 55 million inferences, equivalent to 151,000 images daily for one year. Zero-shot Gemini demonstrates 52.3% accuracy on diverse product categories (ranging from highly web-prevalent consumer electronics at 75-85% to rare specialized equipment at 25-40%) where supervised YOLO achieves 0% due to architectural constraints preventing detection of untrained classes. Cost per Correct Detection analysis reveals substantially lower per-detection costs for Gemini ($0.00050 vs $0.143) at 100,000 inferences despite accuracy deficits. We develop decision frameworks demonstrating that optimal architecture selection depends critically on deployment volume, category stability, budget constraints, and accuracy requirements rather than purely technical performance metrics.
Authors: KiHyun Nam, Jongmin Choi, Hyeongkeun Lee, Jungwoo Heo, Joon Son Chung
Abstract: Contrastive audio-language pretraining yields powerful joint representations, yet a persistent audio-text modality gap limits the benefits of coupling multimodal encoders with large language models (LLMs). We present Diffusion-Link, a diffusion-based modality-bridging module that generatively maps audio embeddings into the text-embedding distribution. The module is trained at the output embedding from the frozen multimodal encoder and implemented as a lightweight network with three residual MLP blocks. To assess the effect of Diffusion-Link on multimodal encoder-LLM coupling, we evaluate on Automatic Audio Captioning (AAC); to our knowledge, this is the first application of diffusion-based modality bridging to AAC. We report two results. (1) Modality-gap analysis: on similarity and geometric criteria, Diffusion-Link reduces the modality gap the most among prior diffusion-based methods and shows a collective migration of audio embeddings toward the text distribution. (2) Downstream AAC: attaching Diffusion-Link to the same multimodal LLM baseline achieves state-of-the-art on AudioCaps in both zero-shot and fully supervised captioning without external knowledge, with relative gains up to 52.5% and 7.5%, respectively. These findings show that closing the modality gap is pivotal for effective coupling between multimodal encoders and LLMs, and diffusion-based modality bridging offers a promising direction beyond knowledge-retrieval-centric designs. Code will be released upon acceptance https://github.com/DevKiHyun/Diffusion-Link
Authors: Wenhan Ma, Hailin Zhang, Liang Zhao, Yifan Song, Yudong Wang, Zhifang Sui, Fuli Luo
Abstract: Reinforcement learning (RL) has emerged as a crucial approach for enhancing the capabilities of large language models. However, in Mixture-of-Experts (MoE) models, the routing mechanism often introduces instability, even leading to catastrophic RL training collapse. We analyze the training-inference consistency of MoE models and identify a notable discrepancy in routing behaviors between the two phases. Moreover, even under identical conditions, the routing framework can yield divergent expert selections across repeated forward passes. To address this foundational inconsistency, we propose Rollout Routing Replay (R3), a method that records routing distributions from the inference engine and replays them during training. R3 significantly reduces training-inference policy KL divergence and mitigates extreme discrepancies without compromising training speed. Extensive experiments on various settings confirm that R3 succeeds in stabilizing RL training, preventing collapse and outperforming methods such as GSPO and TIS. We believe this work can offer a new solution for stabilizing RL in MoE models.
Authors: Daniel Seifert, Onur G\"unl\"u, Rafael F. Schaefer
Abstract: The application of deep learning to the area of communications systems has been a growing field of interest in recent years. Forward-forward (FF) learning is an efficient alternative to the backpropagation (BP) algorithm, which is the typically used training procedure for neural networks. Among its several advantages, FF learning does not require the communication channel to be differentiable and does not rely on the global availability of partial derivatives, allowing for an energy-efficient implementation. In this work, we design end-to-end learned autoencoders using the FF algorithm and numerically evaluate their performance for the additive white Gaussian noise and Rayleigh block fading channels. We demonstrate their competitiveness with BP-trained systems in the case of joint coding and modulation, and in a scenario where a fixed, non-differentiable modulation stage is applied. Moreover, we provide further insights into the design principles of the FF network, its training convergence behavior, and significant memory and processing time savings compared to BP-based approaches.
Authors: Ardian Selmonaj, Giacomo Del Rio, Adrian Schneider, Alessandro Antonucci
Abstract: Achieving mission objectives in a realistic simulation of aerial combat is highly challenging due to imperfect situational awareness and nonlinear flight dynamics. In this work, we introduce a novel 3D multi-agent air combat environment and a Hierarchical Multi-Agent Reinforcement Learning framework to tackle these challenges. Our approach combines heterogeneous agent dynamics, curriculum learning, league-play, and a newly adapted training algorithm. To this end, the decision-making process is organized into two abstraction levels: low-level policies learn precise control maneuvers, while high-level policies issue tactical commands based on mission objectives. Empirical results show that our hierarchical approach improves both learning efficiency and combat performance in complex dogfight scenarios.
Authors: Murad Dawood, Usama Ahmed Siddiquie, Shahram Khorshidi, Maren Bennewitz
Abstract: Safe reinforcement learning (RL) seeks to mitigate unsafe behaviors that arise from exploration during training by reducing constraint violations while maintaining task performance. Existing approaches typically rely on a single policy to jointly optimize reward and safety, which can cause instability due to conflicting objectives, or they use external safety filters that override actions and require prior system knowledge. In this paper, we propose a modular cost-aware regulator that scales the agent's actions based on predicted constraint violations, preserving exploration through smooth action modulation rather than overriding the policy. The regulator is trained to minimize constraint violations while avoiding degenerate suppression of actions. Our approach integrates seamlessly with off-policy RL methods such as SAC and TD3, and achieves state-of-the-art return-to-cost ratios on Safety Gym locomotion tasks with sparse costs, reducing constraint violations by up to 126 times while increasing returns by over an order of magnitude compared to prior methods.
Authors: Alain Riou, Joan Serr\`a, Yuki Mitsufuji
Abstract: Sampling, the technique of reusing pieces of existing audio tracks to create new music content, is a very common practice in modern music production. In this paper, we tackle the challenging task of automatic sample identification, that is, detecting such sampled content and retrieving the material from which it originates. To do so, we adopt a self-supervised learning approach that leverages a multi-track dataset to create positive pairs of artificial mixes, and design a novel contrastive learning objective. We show that such method significantly outperforms previous state-of-the-art baselines, that is robust to various genres, and that scales well when increasing the number of noise songs in the reference database. In addition, we extensively analyze the contribution of the different components of our training pipeline and highlight, in particular, the need for high-quality separated stems for this task.
Authors: Meixia Lin, Meijiao Shi, Yunhai Xiao, Qian Zhang
Abstract: High-dimensional regression often suffers from heavy-tailed noise and outliers, which can severely undermine the reliability of least-squares based methods. To improve robustness, we adopt a non-smooth Wilcoxon score based rank objective and incorporate structured group sparsity regularization, a natural generalization of the lasso, yielding a group lasso regularized rank regression method. By extending the tuning-free parameter selection scheme originally developed for the lasso, we introduce a data-driven, simulation-based tuning rule and further establish a finite-sample error bound for the resulting estimator. On the computational side, we develop a proximal augmented Lagrangian method for solving the associated optimization problem, which eliminates the singularity issues encountered in existing methods, thereby enabling efficient semismooth Newton updates for the subproblems. Extensive numerical experiments demonstrate the robustness and effectiveness of our proposed estimator against alternatives, and showcase the scalability of the algorithm across both simulated and real-data settings.
Authors: Denis Zavadski, Damjan Kal\v{s}an, Tim K\"uchler, Haebom Lee, Stefan Roth, Carsten Rother
Abstract: Synthetic datasets are widely used for training urban scene recognition models, but even highly realistic renderings show a noticeable gap to real imagery. This gap is particularly pronounced when adapting to a specific target domain, such as Cityscapes, where differences in architecture, vegetation, object appearance, and camera characteristics limit downstream performance. Closing this gap with more detailed 3D modelling would require expensive asset and scene design, defeating the purpose of low-cost labelled data. To address this, we present a new framework that adapts an off-the-shelf diffusion model to a target domain using only imperfect pseudo-labels. Once trained, it generates high-fidelity, target-aligned images from semantic maps of any synthetic dataset, including low-effort sources created in hours rather than months. The method filters suboptimal generations, rectifies image-label misalignments, and standardises semantics across datasets, transforming weak synthetic data into competitive real-domain training sets. Experiments on five synthetic datasets and two real target datasets show segmentation gains of up to +8.0%pt. mIoU over state-of-the-art translation methods, making rapidly constructed synthetic datasets as effective as high-effort, time-intensive synthetic datasets requiring extensive manual design. This work highlights a valuable collaborative paradigm where fast semantic prototyping, combined with generative models, enables scalable, high-quality training data creation for urban scene understanding.
Authors: Hongyu Zhu, Lin Chen, Mounim A. El-Yacoubi, Mingsheng Shang
Abstract: Multimodal Sentiment Analysis (MSA) aims to identify and interpret human emotions by integrating information from heterogeneous data sources such as text, video, and audio. While deep learning models have advanced in network architecture design, they remain heavily limited by scarce multimodal annotated data. Although Mixup-based augmentation improves generalization in unimodal tasks, its direct application to MSA introduces critical challenges: random mixing often amplifies label ambiguity and semantic inconsistency due to the lack of emotion-aware mixing mechanisms. To overcome these issues, we propose MS-Mix, an adaptive, emotion-sensitive augmentation framework that automatically optimizes sample mixing in multimodal settings. The key components of MS-Mix include: (1) a Sentiment-Aware Sample Selection (SASS) strategy that effectively prevents semantic confusion caused by mixing samples with contradictory emotions. (2) a Sentiment Intensity Guided (SIG) module using multi-head self-attention to compute modality-specific mixing ratios dynamically based on their respective emotional intensities. (3) a Sentiment Alignment Loss (SAL) that aligns the prediction distributions across modalities, and incorporates the Kullback-Leibler-based loss as an additional regularization term to train the emotion intensity predictor and the backbone network jointly. Extensive experiments on three benchmark datasets with six state-of-the-art backbones confirm that MS-Mix consistently outperforms existing methods, establishing a new standard for robust multimodal sentiment augmentation. The source code is available at: https://github.com/HongyuZhu-s/MS-Mix.
Authors: Seong-Joon Park, Hee-Youl Kwak, Yongjune Kim
Abstract: For reliable large-scale quantum computation, a quantum error correction (QEC) scheme must effectively resolve physical errors to protect logical information. Leveraging recent advances in deep learning, neural network-based decoders have emerged as a promising approach to enhance the reliability of QEC. We propose the Hierarchical Qubit-Merging Transformer (HQMT), a novel and general decoding framework that explicitly leverages the structural graph of stabilizer codes to learn error correlations across multiple scales. Our architecture first computes attention locally on structurally related groups of stabilizers and then systematically merges these qubit-centric representations to build a global view of the error syndrome. The proposed HQMT achieves substantially lower logical error rates for surface codes by integrating a dedicated qubit-merging layer within the transformer architecture. Across various code distances, HQMT significantly outperforms previous neural network-based QEC decoders as well as a powerful belief propagation with ordered statistics decoding (BP+OSD) baseline. This hierarchical approach provides a scalable and effective framework for surface code decoding, advancing the realization of reliable quantum computing.
Authors: Marc Brinner, Sina Zarrie{\ss}
Abstract: We propose SemCSE-Multi, a novel unsupervised framework for generating multifaceted embeddings of scientific abstracts, evaluated in the domains of invasion biology and medicine. These embeddings capture distinct, individually specifiable aspects in isolation, thus enabling fine-grained and controllable similarity assessments as well as adaptive, user-driven visualizations of scientific domains. Our approach relies on an unsupervised procedure that produces aspect-specific summarizing sentences and trains embedding models to map semantically related summaries to nearby positions in the embedding space. We then distill these aspect-specific embedding capabilities into a unified embedding model that directly predicts multiple aspect embeddings from a scientific abstract in a single, efficient forward pass. In addition, we introduce an embedding decoding pipeline that decodes embeddings back into natural language descriptions of their associated aspects. Notably, we show that this decoding remains effective even for unoccupied regions in low-dimensional visualizations, thus offering vastly improved interpretability in user-centric settings.
Authors: Huiyin Xue, Nafise Sadat Moosavi, Nikolaos Aletras
Abstract: The success of Transformer language models is widely credited to their dot-product attention mechanism, which interweaves a set of key design principles: mixing information across positions (enabling multi-token interactions), sequence-dependent activations (where attention weights adapt to each input), a specific mathematical form (dot-product similarities plus softmax weighting), and coupling of queries and keys to evolving hidden states (grounding attention in the current layer). However, the necessity of each of these principles remains largely untested. In this work, we systematically deconstruct attention by designing controlled variants that selectively relax these principles, applied both uniformly across all layers and in hybrid architectures where only some layers retain standard attention. Our empirical analysis reveals that mechanisms for mixing tokens are indispensable, as their absence collapses models to near-random behavior, while the exact mathematical form and sequence dependency can be substantially relaxed, especially when preserved in just a subset of layers. Surprisingly, even variants that fail in isolation can achieve robust performance when interleaved with standard attention, highlighting a cooperative effect. These findings deepen our understanding of what truly underpins attention's effectiveness and open new avenues for simplifying language models without sacrificing performance.
Authors: Fran\c{c}ois Schwarzentruber
Abstract: In these lecture notes, we first recall the connection between graph neural networks, Weisfeiler-Lehman tests and logics such as first-order logic and graded modal logic. We then present a modal logic in which counting modalities appear in linear inequalities in order to solve verification tasks on graph neural networks. We describe an algorithm for the satisfiability problem of that logic. It is inspired from the tableau method of vanilla modal logic, extended with reasoning in quantifier-free fragment Boolean algebra with Presburger arithmetic.
Authors: Krittin Chaowakarn, Paramin Sangwongngam, Nang Htet Htet Aung, Chalie Charoenlarpnopparut
Abstract: Recent studies in 3D object detection for autonomous vehicles aim to enrich features through the utilization of multi-modal setups or the extraction of local patterns within LiDAR point clouds. However, multi-modal methods face significant challenges in feature alignment, and gaining features locally can be oversimplified for complex 3D object detection tasks. In this paper, we propose a novel model, NV3D, which utilizes local features acquired from voxel neighbors, as normal vectors computed per voxel basis using K-nearest neighbors (KNN) and principal component analysis (PCA). This informative feature enables NV3D to determine the relationship between the surface and pertinent target entities, including cars, pedestrians, or cyclists. During the normal vector extraction process, NV3D offers two distinct sampling strategies: normal vector density-based sampling and FOV-aware bin-based sampling, allowing elimination of up to 55% of data while maintaining performance. In addition, we applied element-wise attention fusion, which accepts voxel features as the query and value and normal vector features as the key, similar to the attention mechanism. Our method is trained on the KITTI dataset and has demonstrated superior performance in car and cyclist detection owing to their spatial shapes. In the validation set, NV3D without sampling achieves 86.60% and 80.18% mean Average Precision (mAP), greater than the baseline Voxel R-CNN by 2.61% and 4.23% mAP, respectively. With both samplings, NV3D achieves 85.54% mAP in car detection, exceeding the baseline by 1.56% mAP, despite roughly 55% of voxels being filtered out.
Authors: Felix Zhou
Abstract: We study the sublinear space continual release model for edge-differentially private (DP) graph algorithms, with a focus on the densest subgraph problem (DSG) in the insertion-only setting. Our main result is the first continual release DSG algorithm that matches the additive error of the best static DP algorithms and the space complexity of the best non-private streaming algorithms, up to constants. The key idea is a refined use of subsampling that simultaneously achieves privacy amplification and sparsification, a connection not previously formalized in graph DP. Via a simple black-box reduction to the static setting, we obtain both pure and approximate-DP algorithms with $O(\log n)$ additive error and $O(n\log n)$ space, improving both accuracy and space complexity over the previous state of the art. Along the way, we introduce graph densification in the graph DP setting, adding edges to trigger earlier subsampling, which removes the extra logarithmic factors in error and space incurred by prior work [ELMZ25]. We believe this simple idea may be of independent interest.
Authors: Chuan He, Zhaosong Lu
Abstract: We study convex composite optimization problems, where the objective function is given by the sum of a prox-friendly function and a convex function whose subgradients are estimated under heavy-tailed noise. Existing work often employs gradient clipping or normalization techniques in stochastic first-order methods to address heavy-tailed noise. In this paper, we demonstrate that a vanilla stochastic algorithm -- without additional modifications such as clipping or normalization -- can achieve optimal complexity for these problems. In particular, we establish that an accelerated stochastic proximal subgradient method achieves a first-order oracle complexity that is universally optimal for smooth, weakly smooth, and nonsmooth convex optimization, as well as for stochastic convex optimization under heavy-tailed noise. Numerical experiments are further provided to validate our theoretical results.
Authors: Boyang Zheng, Nanye Ma, Shengbang Tong, Saining Xie
Abstract: Latent generative modeling, where a pretrained autoencoder maps pixels into a latent space for the diffusion process, has become the standard strategy for Diffusion Transformers (DiT); however, the autoencoder component has barely evolved. Most DiTs continue to rely on the original VAE encoder, which introduces several limitations: outdated backbones that compromise architectural simplicity, low-dimensional latent spaces that restrict information capacity, and weak representations that result from purely reconstruction-based training and ultimately limit generative quality. In this work, we explore replacing the VAE with pretrained representation encoders (e.g., DINO, SigLIP, MAE) paired with trained decoders, forming what we term Representation Autoencoders (RAEs). These models provide both high-quality reconstructions and semantically rich latent spaces, while allowing for a scalable transformer-based architecture. Since these latent spaces are typically high-dimensional, a key challenge is enabling diffusion transformers to operate effectively within them. We analyze the sources of this difficulty, propose theoretically motivated solutions, and validate them empirically. Our approach achieves faster convergence without auxiliary representation alignment losses. Using a DiT variant equipped with a lightweight, wide DDT head, we achieve strong image generation results on ImageNet: 1.51 FID at 256x256 (no guidance) and 1.13 at both 256x256 and 512x512 (with guidance). RAE offers clear advantages and should be the new default for diffusion transformer training.
Authors: Tsung-Han Wu, Mihran Miroyan, David M. Chan, Trevor Darrell, Narges Norouzi, Joseph E. Gonzalez
Abstract: Large Reasoning Models (LRMs) excel at complex reasoning but are traditionally evaluated in static, "frozen world" settings: model responses are assumed to be instantaneous, and the context of a request is presumed to be immutable over the duration of the response. While generally true for short-term tasks, the "frozen world" assumption breaks down in modern reasoning tasks such as assistive programming, where models may take hours to think through problems and code may change dramatically from the time the model starts thinking to the model's final output. In this work, we challenge the frozen world assumption and evaluate LRM robustness under two realistic dynamic scenarios: interruptions, which test the quality of the model's partial outputs on a limited budget, and dynamic context, which tests model adaptation to in-flight changes. Across mathematics and programming benchmarks that require long-form reasoning, static evaluations consistently overestimate robustness: even state-of-the-art LRMs, which achieve high accuracy in static settings, can fail unpredictably when interrupted or exposed to changing context, with performance dropping by up to 60% when updates are introduced late in the reasoning process. Our analysis further reveals several novel failure modes, including reasoning leakage, where models fold the reasoning into their final answer when interrupted; panic, where under time pressure models abandon reasoning entirely and return incorrect answers; and self-doubt, where performance degrades while incorporating updated information.
Authors: Christian Raymond, Qi Chen, Bing Xue, Mengjie Zhang
Abstract: Loss function learning is a new meta-learning paradigm that aims to automate the essential task of designing a loss function for a machine learning model. Existing techniques for loss function learning have shown promising results, often improving a model's training dynamics and final inference performance. However, a significant limitation of these techniques is that the loss functions are meta-learned in an offline fashion, where the meta-objective only considers the very first few steps of training, which is a significantly shorter time horizon than the one typically used for training deep neural networks. This causes significant bias towards loss functions that perform well at the very start of training but perform poorly at the end of training. To address this issue we propose a new loss function learning technique for adaptively updating the loss function online after each update to the base model parameters. The experimental results show that our proposed method consistently outperforms the cross-entropy loss and offline loss function learning techniques on a diverse range of neural network architectures and datasets.
Authors: Rui Tuo, Haoyuan Chen, Raktim Bhattacharya
Abstract: We propose a novel theoretical and methodological framework for Gaussian process regression subject to privacy constraints. The proposed method can be used when a data owner is unwilling to share a high-fidelity supervised learning model built from their data with the public due to privacy concerns. The key idea of the proposed method is to add synthetic noise to the data until the predictive variance of the Gaussian process model reaches a prespecified privacy level. The optimal covariance matrix of the synthetic noise is formulated in terms of semi-definite programming. We also introduce the formulation of privacy-aware solutions under continuous privacy constraints using kernel-based approaches, and study their theoretical properties. The proposed method is illustrated by considering a model that tracks the trajectories of satellites and a real application on a census dataset.
Authors: Tiago da Silva, Bruna Bazaluk, Eliezer de Souza da Silva, Ant\'onio G\'ois, Dominik Heider, Samuel Kaski, Diego Mesquita, Ad\`ele Helena Ribeiro
Abstract: Causal discovery (CD) algorithms are notably brittle when data is scarce, inferring unreliable causal relations that may contradict expert knowledge, especially when considering latent confounders. Furthermore, the lack of uncertainty quantification in most CD methods hinders users from diagnosing and refining results. To address these issues, we introduce Ancestral GFlowNets (AGFNs). AGFN samples ancestral graphs (AGs) proportionally to a score-based belief distribution representing our epistemic uncertainty over the causal relationships. Building upon this distribution, we propose an elicitation framework for expert-driven assessment. This framework comprises an optimal experimental design to probe the expert and a scheme to incorporate the obtained feedback into AGFN. Our experiments show that: i) AGFN is competitive against other methods that address latent confounding on both synthetic and real-world datasets; and ii) our design for incorporating feedback from a (simulated) human expert or a Large Language Model (LLM) improves inference quality.
Authors: Yunwen Lei, Tao Sun, Mingrui Liu
Abstract: The increasing scale of data propels the popularity of leveraging parallelism to speed up the optimization. Minibatch stochastic gradient descent (minibatch SGD) and local SGD are two popular methods for parallel optimization. The existing theoretical studies show a linear speedup of these methods with respect to the number of machines, which, however, is measured by optimization errors in a multi-pass setting. As a comparison, the stability and generalization of these methods are much less studied. In this paper, we study the stability and generalization analysis of minibatch and local SGD to understand their learnability by introducing an expectation-variance decomposition. We incorporate training errors into the stability analysis, which shows how small training errors help generalization for overparameterized models. We show minibatch and local SGD achieve a linear speedup to attain the optimal risk bounds.
Authors: Th\'eo Bourdais, Pau Batlle, Xianjin Yang, Ricardo Baptista, Nicolas Rouquette, Houman Owhadi
Abstract: Most problems within and beyond the scientific domain can be framed into one of the following three levels of complexity of function approximation. Type 1: Approximate an unknown function given input/output data. Type 2: Consider a collection of variables and functions, some of which are unknown, indexed by the nodes and hyperedges of a hypergraph (a generalized graph where edges can connect more than two vertices). Given partial observations of the variables of the hypergraph (satisfying the functional dependencies imposed by its structure), approximate all the unobserved variables and unknown functions. Type 3: Expanding on Type 2, if the hypergraph structure itself is unknown, use partial observations of the variables of the hypergraph to discover its structure and approximate its unknown functions. These hypergraphs offer a natural platform for organizing, communicating, and processing computational knowledge. While most scientific problems can be framed as the data-driven discovery of unknown functions in a computational hypergraph whose structure is known (Type 2), many require the data-driven discovery of the structure (connectivity) of the hypergraph itself (Type 3). We introduce an interpretable Gaussian Process (GP) framework for such (Type 3) problems that does not require randomization of the data, access to or control over its sampling, or sparsity of the unknown functions in a known or learned basis. Its polynomial complexity, which contrasts sharply with the super-exponential complexity of causal inference methods, is enabled by the nonlinear ANOVA capabilities of GPs used as a sensing mechanism.
Authors: Chenxi Liu, Yongqiang Chen, Tongliang Liu, Mingming Gong, James Cheng, Bo Han, Kun Zhang
Abstract: Revealing hidden causal variables alongside the underlying causal mechanisms is essential to the development of science. Despite the progress in the past decades, existing practice in causal discovery (CD) heavily relies on high-quality measured variables, which are usually given by human experts. In fact, the lack of well-defined high-level variables behind unstructured data has been a longstanding roadblock to a broader real-world application of CD. This procedure can naturally benefit from an automated process that can suggest potential hidden variables in the system. Interestingly, Large language models (LLMs) are trained on massive observations of the world and have demonstrated great capability in processing unstructured data. To leverage the power of LLMs, we develop a new framework termed Causal representatiOn AssistanT (COAT) that incorporates the rich world knowledge of LLMs to propose useful measured variables for CD with respect to high-value target variables on their paired unstructured data. Instead of directly inferring causality with LLMs, COAT constructs feedback from intermediate CD results to LLMs to refine the proposed variables. Given the target variable and the paired unstructured data, we first develop COAT-MB that leverages the predictivity of the proposed variables to iteratively uncover the Markov Blanket of the target variable. Built upon COAT-MB, COAT-PAG further extends to uncover a more complete causal graph, i.e., Partial Ancestral Graph, by iterating over the target variables and actively seeking new high-level variables. Moreover, the reliable CD capabilities of COAT also extend the debiased causal inference to unstructured data by discovering an adjustment set. We establish theoretical guarantees for the CD results and verify their efficiency and reliability across realistic benchmarks and real-world case studies.
Authors: Xianglin Yang, Jin Song Dong
Abstract: Monitoring the inner state of deep neural networks is essential for auditing the learning process and enabling timely interventions. While conventional metrics like validation loss offer a surface-level view of performance, the evolution of a model's hidden representations provides a deeper, complementary window into its internal dynamics. However, the literature lacks a real-time tool to monitor these crucial internal states. To address this, we introduce SentryCam, a live-update visualization framework that tracks the progression of hidden representations throughout training. SentryCam produces high-fidelity visualizations of the evolving representation space with minimal latency, serving as a powerful dashboard for understanding how a model learns. We quantitatively validate the faithfulness of SentryCam's visualizations across diverse datasets and architectures (ResNet, ViT). Furthermore, we demonstrate SentryCam's practical utility for model auditing through a case study on training instability. We designed an automated auditing system with geometry-based alerts that successfully identified impending model failure up to 7 epochs earlier than was evident from the validation loss curve. SentryCam's flexible framework is easily adaptable, supporting both the exploratory analysis and proactive auditing essential for robust model development. The code is available at https://github.com/xianglinyang/SentryCam.
Authors: H\"useyin Tun\c{c}, Do\u{g}anay \"Ozese, \c{S}. \.Ilker Birbil, Donato Maragno, Marco Caserta, Mustafa Baydo\u{g}an
Abstract: Incorporating domain-specific constraints into machine learning models is essential for generating predictions that are both accurate and feasible in real-world applications. This paper introduces new methods for training Output-Constrained Regression Trees (OCRT), addressing the limitations of traditional decision trees in constrained multi-target regression tasks. We propose three approaches: M-OCRT, which uses split-based mixed integer programming to enforce constraints; E-OCRT, which employs an exhaustive search for optimal splits and solves constrained prediction problems at each decision node; and EP-OCRT, which applies post-hoc constrained optimization to tree predictions. To illustrate their potential uses in ensemble learning, we also introduce a random forest framework working under convex feasible sets. We validate the proposed methods through a computational study both on synthetic and industry-driven hierarchical time series datasets. Our results demonstrate that imposing constraints on decision tree training results in accurate and feasible predictions.
Authors: Kexin Li, Aastha Mehta, David Lie
Abstract: Users of modern Machine Learning (ML) cloud services face a privacy conundrum -- on one hand, they may have concerns about sending private data to the service for inference, but on the other hand, for specialized models, there may be no alternative but to use the proprietary model of the ML service. In this work, we present LDPKiT, a framework for non-adversarial, privacy-preserving model extraction that leverages a user's private in-distribution data while bounding privacy leakage. LDPKiT introduces a novel superimposition technique that generates approximately in-distribution samples, enabling effective knowledge transfer under local differential privacy (LDP). Experiments on Fashion-MNIST, SVHN, and PathMNIST demonstrate that LDPKiT consistently improves utility while maintaining privacy, with benefits that become more pronounced at stronger noise levels. For example, on SVHN, LDPKiT achieves nearly the same inference accuracy at $\epsilon=1.25$ as at $\epsilon=2.0$, yielding stronger privacy guarantees with less than a 2% accuracy reduction. We further conduct sensitivity analyses to examine the effect of dataset size on performance and provide a systematic analysis of latent space representations, offering theoretical insights into the accuracy gains of LDPKiT.
Authors: Maya Bechler-Speicher, Amir Globerson, Ran Gilad-Bachrach
Abstract: Graph Neural Networks (GNNs) have emerged as the predominant approach for learning over graph-structured data. However, most GNNs operate as black-box models and require post-hoc explanations, which may not suffice in high-stakes scenarios where transparency is crucial. In this paper, we present a GNN that is interpretable by design. Our model, Graph Neural Additive Network (GNAN), is a novel extension of the interpretable class of Generalized Additive Models, and can be visualized and fully understood by humans. GNAN is designed to be fully interpretable, offering both global and local explanations at the feature and graph levels through direct visualization of the model. These visualizations describe exactly how the model uses the relationships between the target variable, the features, and the graph. We demonstrate the intelligibility of GNANs in a series of examples on different tasks and datasets. In addition, we show that the accuracy of GNAN is on par with black-box GNNs, making it suitable for critical applications where transparency is essential, alongside high accuracy.
Authors: Haifeng Wen, Hong Xing, Osvaldo Simeone
Abstract: For modern artificial intelligence (AI) applications such as large language models (LLMs), the training paradigm has recently shifted to pre-training followed by fine-tuning. Furthermore, owing to dwindling open repositories of data and thanks to efforts to democratize access to AI models, pre-training is expected to increasingly migrate from the current centralized deployments to federated learning (FL) implementations. Meta-learning provides a general framework in which pre-training and fine-tuning can be formalized. Meta-learning-based personalized FL (meta-pFL) moves beyond basic personalization by targeting generalization to new agents and tasks. This paper studies the generalization performance of meta-pFL for a wireless setting in which the agents participating in the pre-training phase, i.e., meta-learning, are connected via a shared wireless channel to the server. Adopting over-the-air computing, we study the trade-off between generalization to new agents and tasks, on the one hand, and convergence, on the other hand. The trade-off arises from the fact that channel impairments may enhance generalization, while degrading convergence. Extensive numerical results validate the theory.
Authors: Dong Liu, Yanxuan Yu
Abstract: As large language models (LLMs) grow in size and deployment scale, quantization has become an essential technique for reducing memory footprint and improving inference efficiency. However, existing quantization toolkits often lack transparency, flexibility, and system-level scalability across GPUs and distributed environments. We present \textbf{LLMEasyQuant}, a modular, system-aware quantization framework designed for efficient, low-bit inference of LLMs on single-node multi-GPU, multi-node, and edge hardware. LLMEasyQuant supports a wide range of quantization methods -- including Symmetric Quantization, ZeroQuant, SmoothQuant, and SimQuant -- with unified interfaces for per-layer calibration, bitwidth assignment, and runtime adaptation. It integrates fused CUDA kernels with NCCL-based distributed synchronization and supports both static and online quantization. Empirical results show that LLMEasyQuant can achieve substantial speedup in GEMM execution, HBM load time, and near-linear multi-GPU scaling. Ablation studies further validate its ability to balance latency, memory, and accuracy under diverse deployment conditions. LLMEasyQuant offers a practical quantization serving system for scalable, hardware-optimized LLM inference.
Authors: Rohan Gupta, Iv\'an Arcuschin, Thomas Kwa, Adri\`a Garriga-Alonso
Abstract: Mechanistic interpretability methods aim to identify the algorithm a neural network implements, but it is difficult to validate such methods when the true algorithm is unknown. This work presents InterpBench, a collection of semi-synthetic yet realistic transformers with known circuits for evaluating these techniques. We train simple neural networks using a stricter version of Interchange Intervention Training (IIT) which we call Strict IIT (SIIT). Like the original, SIIT trains neural networks by aligning their internal computation with a desired high-level causal model, but it also prevents non-circuit nodes from affecting the model's output. We evaluate SIIT on sparse transformers produced by the Tracr tool and find that SIIT models maintain Tracr's original circuit while being more realistic. SIIT can also train transformers with larger circuits, like Indirect Object Identification (IOI). Finally, we use our benchmark to evaluate existing circuit discovery techniques.
Authors: Yanxi Chen, Yaliang Li, Bolin Ding, Jingren Zhou
Abstract: This work presents an analytical framework for the design and analysis of LLM-based algorithms, i.e., algorithms that contain one or multiple calls of large language models (LLMs) as sub-routines and critically rely on the capabilities of LLMs. While such algorithms, ranging from basic LLM calls with prompt engineering to complicated LLM-powered agentic workflows and compound AI systems, have achieved remarkable empirical success, their design and optimization oftentimes require extensive trial-and-errors and case-by-case analysis. Our proposed framework serves as an attempt to mitigate such headaches, offering a formal and systematic approach for analyzing how the accuracy and efficiency of an LLM-based algorithm will be impacted by critical design choices, such as the pattern and granularity of task decomposition, or the prompt for each LLM call. Through a wide range of case studies covering diverse algorithm patterns (including parallel/hierarchical/recursive task decomposition and generic directed acyclic graphs), we demonstrate the proposed framework in action and derive interesting insights that generalize across scenarios, accompanied by systematic empirical validation in synthetic settings.
Authors: Supath Dhital
Abstract: The application of Machine Learning (ML) to hydrologic modeling is fledgling. Its applicability to capture the dependencies on watersheds to forecast better within a short period is fascinating. One of the key reasons to adopt ML algorithms over physics-based models is its computational efficiency advantage and flexibility to work with various data sets. The diverse applications, particularly in emergency response and expanding over a large scale, demand the hydrological model in a short time and make researchers adopt data-driven modeling approaches unhesitatingly. In this work, in the era of ML and deep learning (DL), how it can help to improve the overall run time of physics-based model and potential constraints that should be addressed while modeling. This paper covers the opportunities and challenges of adopting ML for hydrological modeling and subsequently how it can help to improve the simulation time of physics-based models and future works that should be addressed.
Authors: Silvia Seidlitz, Katharina H\"olzl, Ayca von Garrel, Jan Sellner, Stephan Katzenschlager, Tobias H\"olle, Dania Fischer, Maik von der Forst, Felix C. F. Schmitt, Alexander Studier-Fischer, Markus A. Weigand, Lena Maier-Hein, Maximilian Dietrich
Abstract: With sepsis remaining a leading cause of mortality, early identification of patients with sepsis and those at high risk of death is a challenge of high socioeconomic importance. Given the potential of hyperspectral imaging (HSI) to monitor microcirculatory alterations, we propose a deep learning approach to automated sepsis diagnosis and mortality prediction using a single HSI cube acquired within seconds. In a prospective observational study, we collected HSI data from the palms and fingers of more than 480 intensive care unit patients. Neural networks applied to HSI measurements predicted sepsis and mortality with areas under the receiver operating characteristic curve (AUROCs) of 0.80 and 0.72, respectively. Performance improved substantially with additional clinical data, reaching AUROCs of 0.94 for sepsis and 0.83 for mortality. We conclude that deep learning-based HSI analysis enables rapid and noninvasive prediction of sepsis and mortality, with a potential clinical value for enhancing diagnosis and treatment.
Authors: Tuowei Wang, Ruwen Fan, Minxing Huang, Zixu Hao, Kun Li, Ting Cao, Youyou Lu, Yaoxue Zhang, Ju Ren
Abstract: Large Language Models (LLMs) have achieved remarkable success across various domains, yet deploying them on mobile devices remains an arduous challenge due to their extensive computational and memory demands. While lightweight LLMs have been developed to fit mobile environments, they suffer from degraded model accuracy. In contrast, sparsity-based techniques minimize DRAM usage by selectively transferring only relevant neurons to DRAM while retaining the full model in external storage, such as flash. However, such approaches are critically limited by numerous I/O operations, particularly on smartphones with severe IOPS constraints. In this paper, we propose Neuralink, a novel approach that accelerates LLM inference on smartphones by optimizing neuron placement in flash memory. Neuralink leverages the concept of Neuron Co-Activation, where neurons frequently activated together are linked to facilitate continuous read access and optimize I/O efficiency. Our approach incorporates a two-stage solution: an offline stage that reorganizes neuron placement based on co-activation patterns, and an online stage that employs tailored data access and caching strategies to align well with hardware characteristics. Evaluations conducted on a variety of smartphones and LLMs demonstrate that Neuralink achieves on average $1.49\times$ improvements in end-to-end latency compared to the state-of-the-art. As the first solution to optimize storage placement under sparsity, Neuralink explores a new optimization space at the intersection of sparsity-driven algorithm and storage-level system co-design for LLM inference.
Authors: Heewoong Noh, Namkyeong Lee, Gyoung S. Na, Chanyoung Park
Abstract: While inorganic retrosynthesis planning is essential in the field of chemical science, the application of machine learning in this area has been notably less explored compared to organic retrosynthesis planning. In this paper, we propose Retrieval-Retro for inorganic retrosynthesis planning, which implicitly extracts the precursor information of reference materials that are retrieved from the knowledge base regarding domain expertise in the field. Specifically, instead of directly employing the precursor information of reference materials, we propose implicitly extracting it with various attention layers, which enables the model to learn novel synthesis recipes more effectively. Moreover, during retrieval, we consider the thermodynamic relationship between target material and precursors, which is essential domain expertise in identifying the most probable precursor set among various options. Extensive experiments demonstrate the superiority of Retrieval-Retro in retrosynthesis planning, especially in discovering novel synthesis recipes, which is crucial for materials discovery. The source code for Retrieval-Retro is available at https://github.com/HeewoongNoh/Retrieval-Retro.
Authors: Agatha Schmidt, Henrik Zunker, Alexander Heinlein, Martin J. K\"uhn
Abstract: During the COVID-19 crisis, mechanistic models have guided evidence-based decision making. However, time-critical decisions in a dynamical environment limit the time available to gather supporting evidence. We address this bottleneck by developing a graph neural network (GNN) surrogate of a spatially and demographically resolved mechanistic metapopulation simulator. This combined approach advances classical machine learning approaches which are often black box. Our design of experiments spans outbreak and persistent-threat regimes, up to three contact change points, and age-structured contact matrices on a 400-node spatial graph. We benchmark multiple GNN layers and identify an ARMAConv-based architecture that offers a strong accuracy-runtime trade-off. Across 30-90 day horizons and up to three contact change points, the surrogate attains 10-27 % mean absolute percentage error (MAPE) while delivering (near) constant runtime with respect to the forecast horizon. Our approach accelerates evaluation by up to 28,670 times compared with the mechanistic model, allowing responsive decision support in time-critical scenarios and straightforward web integration. These results show how GNN surrogates can translate complex metapopulation models into immediate, reliable tools for pandemic response.
Authors: Carlos Heredia
Abstract: In this paper, we propose a continuous-time formulation for the AdaGrad, RMSProp, and Adam optimization algorithms by modeling them as first-order integro-differential equations. We perform numerical simulations of these equations, along with stability and convergence analyses, to demonstrate their validity as accurate approximations of the original algorithms. Our results indicate a strong agreement between the behavior of the continuous-time models and the discrete implementations, thus providing a new perspective on the theoretical understanding of adaptive optimization methods.
Authors: Jieming Bian, Lei Wang, Letian Zhang, Jie Xu
Abstract: Foundation models (FMs) achieve strong performance across diverse tasks with task-specific fine-tuning, yet full parameter fine-tuning is often computationally prohibitive for large models. Parameter-efficient fine-tuning (PEFT) methods like Low-Rank Adaptation (LoRA) reduce this cost by introducing low-rank matrices for tuning fewer parameters. While LoRA allows for efficient fine-tuning, it requires significant data for adaptation, making Federated Learning (FL) an appealing solution due to its privacy-preserving collaborative framework. However, combining LoRA with FL introduces two key challenges: the \textbf{Server-Side Aggregation Bias}, where server-side averaging of LoRA matrices diverges from the ideal global update, and the \textbf{Client-Side Initialization Lag}, emphasizing the need for consistent initialization across rounds. Existing approaches address these challenges individually, limiting their effectiveness. We propose LoRA-FAIR, a novel method that tackles both issues by introducing a correction term on the server, enhancing aggregation efficiency and accuracy. LoRA-FAIR maintains computational and communication efficiency, yielding superior performance over state-of-the-art methods. Experimental results on ViT and MLP-Mixer models across large-scale datasets demonstrate that LoRA-FAIR consistently achieves performance improvements in FL settings.
Authors: Xinyu Yuan, Yan Qiao, Meng Li, Zhenchun Wei, Cuiying Feng, Zonghui Wang, Wenzhi Chen
Abstract: Estimating the frequency of items on the high-volume, fast data stream has been extensively studied in many areas, such as database and network measurement. Traditional sketches provide only coarse estimates under strict memory constraints. Although some learning-augmented methods have emerged recently, they typically rely on offline training with real frequencies or/and labels, which are often unavailable. Moreover, these methods suffer from slow update speeds, limiting their suitability for real-time processing despite offering only marginal accuracy improvements. To overcome these challenges, we propose UCL-sketch, a practical learning-based paradigm for per-key frequency estimation. Our design introduces two key innovations: (i) an online training mechanism based on equivalent learning that requires no ground truth (GT), and (ii) a highly scalable architecture leveraging logically structured estimation buckets to scale to real-world data stream. The UCL-sketch, which utilizes compressive sensing (CS), converges to an estimator that provably yields a error bound far lower than that of prior works, without sacrificing the speed of processing. Extensive experiments on both real-world and synthetic datasets demonstrate that our approach outperforms previously proposed approaches regarding per-key accuracy and distribution. Notably, under extremely tight memory budgets, its quality almost matches that of an (infeasible) omniscient oracle. Moreover, compared to the existing equation-based sketch, UCL-sketch achieves an average decoding speedup of nearly 500 times. To help further research and development, our code is publicly available at https://github.com/Y-debug-sys/UCL-sketch.
Authors: Alberto Sinigaglia, Niccol\`o Turcato, Ruggero Carli, Gian Antonio Susto
Abstract: Deep Reinforcement Learning is gaining increasing attention thanks to its capability to learn complex policies in high-dimensional settings. Recent advancements utilize a dual-network architecture to learn optimal policies through the Q-learning algorithm. However, this approach has notable drawbacks, such as an overestimation bias that can disrupt the learning process and degrade the performance of the resulting policy. To address this, novel algorithms have been developed that mitigate overestimation bias by employing multiple Q-functions. Edge scenarios, which prioritize privacy, have recently gained prominence. In these settings, limited computational resources pose a significant challenge for complex Machine Learning approaches, making the efficiency of algorithms crucial for their performance. In this work, we introduce a novel Reinforcement Learning algorithm tailored for edge scenarios, called Edge Delayed Deep Deterministic Policy Gradient (EdgeD3). EdgeD3 enhances the Deep Deterministic Policy Gradient (DDPG) algorithm, achieving significantly improved performance with $25\%$ less Graphics Process Unit (GPU) time while maintaining the same memory usage. Additionally, EdgeD3 consistently matches or surpasses the performance of state-of-the-art methods across various benchmarks, all while using $30\%$ fewer computational resources and requiring $30\%$ less memory.
Authors: Peter Lalor, Henry Adams, Alex Hagen
Abstract: Machine learning has the potential to improve the speed and reliability of radioisotope identification using gamma spectroscopy. However, meticulously labeling an experimental dataset for training is often prohibitively expensive, while training models purely on synthetic data is risky due to the domain gap between simulated and experimental measurements. In this research, we demonstrate that supervised domain adaptation can substantially improve the performance of radioisotope identification models by transferring knowledge between synthetic and experimental data domains. We consider two domain adaptation scenarios: (1) a simulation-to-simulation adaptation, where we perform multi-label proportion estimation using simulated high-purity germanium detectors, and (2) a simulation-to-experimental adaptation, where we perform multi-class, single-label classification using measured spectra from handheld lanthanum bromide (LaBr) and sodium iodide (NaI) detectors. We begin by pretraining a spectral classifier on synthetic data using a custom transformer-based neural network. After subsequent fine-tuning on just 64 labeled experimental spectra, we achieve a test accuracy of 96% in the sim-to-real scenario with a LaBr detector, far surpassing a synthetic-only baseline model (75%) and a model trained from scratch (80%) on the same 64 spectra. Furthermore, we demonstrate that domain-adapted models learn more human-interpretable features than experiment-only baseline models. Overall, our results highlight the potential for supervised domain adaptation techniques to bridge the sim-to-real gap in radioisotope identification, enabling the development of accurate and explainable classifiers even in real-world scenarios where access to experimental data is limited.
Authors: Chongyi Zheng, Jens Tuyls, Joanne Peng, Benjamin Eysenbach
Abstract: Self-supervised learning has the potential of lifting several of the key challenges in reinforcement learning today, such as exploration, representation learning, and reward design. Recent work (METRA) has effectively argued that moving away from mutual information and instead optimizing a certain Wasserstein distance is important for good performance. In this paper, we argue that the benefits seen in that paper can largely be explained within the existing framework of mutual information skill learning (MISL). Our analysis suggests a new MISL method (contrastive successor features) that retains the excellent performance of METRA with fewer moving parts, and highlights connections between skill learning, contrastive representation learning, and successor features. Finally, through careful ablation studies, we provide further insight into some of the key ingredients for both our method and METRA.
Authors: Ousmane Touat, Jezekael Brunon, Yacine Belal, Julien Nicolas, Mohamed Maouche, C\'esar Sabater, Sonia Ben Mokhtar
Abstract: The primary promise of decentralized learning is to allow users to engage in the training of machine learning models in a collaborative manner while keeping their data on their premises and without relying on any central entity. However, this paradigm necessitates the exchange of model parameters or gradients between peers. Such exchanges can be exploited to infer sensitive information about training data, which is achieved through privacy attacks (e.g., Membership Inference Attacks -- MIA). In order to devise effective defense mechanisms, it is important to understand the factors that increase/reduce the vulnerability of a given decentralized learning architecture to MIA. In this study, we extensively explore the vulnerability to MIA of various decentralized learning architectures by varying the graph structure (e.g., number of neighbors), the graph dynamics, and the aggregation strategy, across diverse datasets and data distributions. Our key finding, which to the best of our knowledge we are the first to report, is that the vulnerability to MIA is heavily correlated to (i) the local model mixing strategy performed by each node upon reception of models from neighboring nodes and (ii) the global mixing properties of the communication graph. We illustrate these results experimentally using four datasets and by theoretically analyzing the mixing properties of various decentralized architectures. We also empirically show that enhancing mixing properties is highly beneficial when combined with other privacy-preserving techniques such as Differential Privacy. Our paper draws a set of lessons learned for devising decentralized learning systems that reduce by design the vulnerability to MIA.
Authors: Yaozhong Shi, Zachary E. Ross, Domniki Asimaki, Kamyar Azizzadenesheli
Abstract: Expanding on neural operators, we propose a novel framework for stochastic process learning across arbitrary domains. In particular, we develop operator flow matching (OFM) for learning stochastic process priors on function spaces. OFM provides the probability density of the values of any collection of points and enables mathematically tractable functional regression at new points with mean and density estimation. Our method outperforms state-of-the-art models in stochastic process learning, functional regression, and prior learning.
Authors: Haoyuan Sun, Ali Jadbabaie, Navid Azizan
Abstract: Transformer-based models demonstrate a remarkable ability for in-context learning (ICL), where they can adapt to unseen tasks from a few prompt examples without parameter updates. Recent research has illuminated how Transformers perform ICL, showing that the optimal linear self-attention (LSA) mechanism can implement one step of gradient descent for linear least-squares objectives when trained on random linear regression tasks. Building on this, we investigate ICL for nonlinear function classes. We first prove that LSA is inherently incapable of outperforming linear predictors on nonlinear tasks, underscoring why prior solutions cannot readily extend to these problems. To overcome this limitation, we analyze a Transformer block consisting of LSA and feed-forward layers inspired by the gated linear units (GLU), which is a standard component of modern Transformers. We show that this block achieves nonlinear ICL by implementing one step of gradient descent on a polynomial kernel regression loss. Furthermore, our analysis reveals that the expressivity of a single block is inherently limited by its dimensions. We then show that a deep Transformer can overcome this bottleneck by distributing the computation of richer kernel functions across multiple blocks, performing block-coordinate descent in a high-dimensional feature space that a single block cannot represent. Our findings highlight that the feed-forward layers provide a crucial and scalable mechanism by which Transformers can express nonlinear representations for ICL.
Authors: Yassir Jedra, Devavrat Shah
Abstract: The emergence of modern compute infrastructure for iterative optimization has led to great interest in developing optimization-based approaches for a scalable computation of $k$-SVD, i.e., the $k\geq 1$ largest singular values and corresponding vectors of a matrix of rank $d \geq 1$. Despite lots of exciting recent works, all prior works fall short in this pursuit. Specifically, the existing results are either for the exact-parameterized (i.e., $k = d$) and over-parameterized (i.e., $k > d$) settings; or only establish local convergence guarantees; or use a step-size that requires problem-instance-specific oracle-provided information. In this work, we complete this pursuit by providing a gradient-descent method with a simple, universal rule for step-size selection (akin to pre-conditioning), that provably finds $k$-SVD for a matrix of any rank $d \geq 1$. We establish that the gradient method with random initialization enjoys global linear convergence for any $k, d \geq 1$. Our convergence analysis reveals that the gradient method has an attractive region, and within this attractive region, the method behaves like Heron's method (a.k.a. the Babylonian method). Our analytic results about the said attractive region imply that the gradient method can be enhanced by means of Nesterov's momentum-based acceleration technique. The resulting improved convergence rates match those of rather complicated methods typically relying on Lanczos iterations or variants thereof. We provide an empirical study to validate the theoretical results.
Authors: Shuangyi Chen, Yuanxin Guo, Yue Ju, Harik Dalal, Zhongwen Zhu, Ashish Khisti
Abstract: Parameter-Efficient Fine-Tuning (PEFT) methods like Low-Rank Adaptation (LoRA) optimize federated training by reducing computational and communication costs. We propose RoLoRA, a federated framework using alternating optimization to fine-tune LoRA adapters. Our approach emphasizes the importance of learning up and down projection matrices to enhance expressiveness and robustness. We use both theoretical analysis and extensive experiments to demonstrate the advantages of RoLoRA over prior approaches that either generate imperfect model updates or limit expressiveness of the model. We provide a theoretical analysis on a linear model to highlight the importance of learning both the down-projection and up-projection matrices in LoRA. We validate the insights on a non-linear model and separately provide a convergence proof under general conditions. To bridge theory and practice, we conducted extensive experimental evaluations on language models including RoBERTa-Large, Llama-2-7B on diverse tasks and FL settings to demonstrate the advantages of RoLoRA over other methods.
Authors: Kemal Kurniawan, Meladel Mistica, Timothy Baldwin, Jey Han Lau
Abstract: Human label variation (HLV) challenges the standard assumption that a labelled instance has a single ground truth, instead embracing the natural variation in human annotation to train and evaluate models. While various training methods and metrics for HLV have been proposed, it is still unclear which methods and metrics perform best in what settings. We propose new evaluation metrics for HLV leveraging fuzzy set theory. Since these new proposed metrics are differentiable, we then in turn experiment with employing these metrics as training objectives. We conduct an extensive study over 6 HLV datasets testing 14 training methods and 6 evaluation metrics. We find that training on either disaggregated annotations or soft labels performs best across metrics, outperforming training using the proposed training objectives with differentiable metrics. We also show that our proposed soft micro F1 score is one of the best metrics for HLV data.
Authors: Arian Eamaz, Farhang Yeganegi, Mojtaba Soltanalian
Abstract: Why rely on dense neural networks and then blindly sparsify them when prior knowledge about the problem structure is already available? Many inverse problems admit algorithm-unrolled networks that naturally encode physics and sparsity. In this work, we propose a Physics-Inspired Binary Neural Network (PIBiNN) that combines two key components: (i) data-driven one-bit quantization with a single global scale, and (ii) problem-driven sparsity predefined by physics and requiring no updates during training. This design yields compression rates below one bit per weight by exploiting structural zeros, while preserving essential operator geometry. Unlike ternary or pruning-based schemes, our approach avoids ad-hoc sparsification, reduces metadata overhead, and aligns directly with the underlying task. Experiments suggest that PIBiNN achieves advantages in both memory efficiency and generalization compared to competitive baselines such as ternary and channel-wise quantization.
Authors: Francisco N. F. Q. Simoes, Itai Feigenbaum, Mehdi Dastani, Thijs van Ommen
Abstract: Causal knowledge can be used to support decision-making problems. This has been recognized in the causal bandits literature, where a causal (multi-armed) bandit is characterized by a causal graphical model and a target variable. The arms are then interventions on the causal model, and rewards are samples of the target variable. Causal bandits were originally studied with a focus on hard interventions. We focus instead on cases where the arms are conditional interventions, which more accurately model many real-world decision-making problems by allowing the value of the intervened variable to be chosen based on the observed values of other variables. This paper presents a graphical characterization of the minimal set of nodes guaranteed to contain the optimal conditional intervention, which maximizes the expected reward. We then propose an efficient algorithm with a time complexity of $O(|V| + |E|)$ to identify this minimal set of nodes. We prove that the graphical characterization and the proposed algorithm are correct. Finally, we empirically demonstrate that our algorithm significantly prunes the search space and substantially accelerates convergence rates when integrated into standard multi-armed bandit algorithms.
Authors: Philipp M. Faller, Dominik Janzing
Abstract: Conditional-independence-based discovery uses statistical tests to identify a graphical model that represents the independence structure of variables in a dataset. These tests, however, can be unreliable, and algorithms are sensitive to errors and violated assumptions. Often, there are tests that were not used in the construction of the graph. In this work, we show that these redundant tests have the potential to detect or sometimes correct errors in the learned model. But we further show that not all tests contain this additional information and that such redundant tests have to be applied with care. Precisely, we argue that the conditional (in)dependence statements that hold for every probability distribution are unlikely to detect and correct errors - in contrast to those that follow only from graphical assumptions.
Authors: Benedikt Alkin, Maurits Bleeker, Richard Kurle, Tobias Kronlachner, Reinhard Sonnleitner, Matthias Dorfer, Johannes Brandstetter
Abstract: Recent advances in neural surrogate modeling offer the potential for transformative innovations in applications such as automotive aerodynamics. Yet, industrial-scale problems often involve volumetric meshes with cell counts reaching 100 million, presenting major scalability challenges. Complex geometries further complicate modeling through intricate surface-volume interactions, while quantities such as vorticity are highly nonlinear and must satisfy strict divergence-free constraints. To address these requirements, we introduce AB-UPT as a novel modeling scheme for building neural surrogates for CFD simulations. AB-UPT is designed to: (i) decouple geometry encoding and prediction tasks via multi-branch operators; (ii) enable scalability to high-resolution outputs via neural simulation in a low-dimensional latent space, coupled with anchored neural field decoders to predict high-fidelity outputs; (iii) enforce physics consistency by a divergence-free formulation. We show that AB-UPT yields state-of-the-art predictive accuracy of surface and volume fields on automotive CFD simulations ranging from 33 thousand up to 150 million mesh cells. Furthermore, our anchored neural field architecture enables the enforcement of hard physical constraints on the physics predictions without degradation in performance, exemplified by modeling divergence-free vorticity fields. Notably, the proposed models can be trained on a single GPU in less than a day and predict industry-standard surface and volume fields within seconds. Additionally, we show that the flexible design of our method enables neural simulation from a CAD geometry alone, thereby eliminating the need for costly CFD meshing procedures for inference.
Authors: Shashank Kirtania, Arun Iyer
Abstract: Recent advances in automated theorem proving use Large Language Models (LLMs) to translate informal mathematical statements into formal proofs. However, informal cues are often ambiguous or lack strict logical structure, making it hard for models to interpret them precisely. While existing methods achieve strong performance, little is known about how LLMs internally represent informal cues, or how these influence proof generation. To address this, we explore \textit{activation steering}, an inference-time intervention that identifies linear directions in residual activations associated with informal reasoning traces and adjusts them to improve proof construction without fine-tuning. This mechanism also yields interpretable information about how reasoning is internally encoded in the activation space of LLMs. We test our method for generating formal proofs from already-formalized theorems. Our contributions are twofold: (1) a novel activation-based intervention for guiding proof synthesis in LLMs; and (2) demonstration that this intervention improves performance under two decoding strategies (sampling and best-first search) without any further training.
Authors: Xiaohong Yang, Minghui Liwang, Liqun Fu, Yuhan Su, Seyyedali Hosseinalipour, Xianbin Wang, Yiguang Hong
Abstract: Hierarchical Federated Learning (HFL) extends conventional Federated Learning (FL) by introducing intermediate aggregation layers, enabling distributed learning in geographically dispersed environments, particularly relevant for smart IoT systems, such as remote monitoring and battlefield operations, where cellular connectivity is limited. In these scenarios, UAVs serve as mobile aggregators, dynamically connecting terrestrial IoT devices. This paper investigates an HFL architecture with energy-constrained, dynamically deployed UAVs prone to communication disruptions. We propose a novel approach to minimize global training costs by formulating a joint optimization problem that integrates learning configuration, bandwidth allocation, and device-to-UAV association, ensuring timely global aggregation before UAV disconnections and redeployments. The problem accounts for dynamic IoT devices and intermittent UAV connectivity and is NP-hard. To tackle this, we decompose it into three subproblems: \textit{(i)} optimizing learning configuration and bandwidth allocation via an augmented Lagrangian to reduce training costs; \textit{(ii)} introducing a device fitness score based on data heterogeneity (via Kullback-Leibler divergence), device-to-UAV proximity, and computational resources, using a TD3-based algorithm for adaptive device-to-UAV assignment; \textit{(iii)} developing a low-complexity two-stage greedy strategy for UAV redeployment and global aggregator selection, ensuring efficient aggregation despite UAV disconnections. Experiments on diverse real-world datasets validate the approach, demonstrating cost reduction and robust performance under communication disruptions.
Authors: Yongqiang Yao, Jingru Tan, Kaihuan Liang, Feizhao Zhang, Jiahao Hu, Shuo Wu, Yazhe Niu, Ruihao Gong, Dahua Lin, Ningyi Xu
Abstract: Training Long-Context Large Language Models (LLMs) is challenging, as hybrid training with long-context and short-context data often leads to workload imbalances. Existing works mainly use data packing to alleviate this issue, but fail to consider imbalanced attention computation and wasted communication overhead. This paper proposes Hierarchical Balance Packing (HBP), which designs a novel batch-construction method and training recipe to address those inefficiencies. In particular, the HBP constructs multi-level data packing groups, each optimized with a distinct packing length. It assigns training samples to their optimal groups and configures each group with the most effective settings, including sequential parallelism degree and gradient checkpointing configuration. To effectively utilize multi-level groups of data, we design a dynamic training pipeline specifically tailored to HBP, including curriculum learning, adaptive sequential parallelism, and stable loss. Our extensive experiments demonstrate that our method significantly reduces training time over multiple datasets and open-source models while maintaining strong performance. For the largest DeepSeek-V2 (236B) MoE model, our method speeds up the training by 2.4$\times$ with competitive performance. Codes will be released at https://github.com/ModelTC/HBP.
Authors: David P. Hofmeyr
Abstract: A novel formulation of the clustering problem is introduced in which the task is expressed as an estimation problem, where the object to be estimated is a function which maps a point to its distribution of cluster membership. Unlike existing approaches which implicitly estimate such a function, like Gaussian Mixture Models (GMMs), the proposed approach bypasses any explicit modelling assumptions and exploits the flexible estimation potential of nonparametric smoothing. An intuitive approach for selecting the tuning parameters governing estimation is provided, which allows the proposed method to automatically determine both an appropriate level of flexibility and also the number of clusters to extract from a given data set. Experiments on a large collection of publicly available data sets are used to document the strong performance of the proposed approach, in comparison with relevant benchmarks from the literature. R code to implement the proposed approach is available from https://github.com/DavidHofmeyr/CNS
Authors: Yanchen Luo, Zhiyuan Liu, Yi Zhao, Sihang Li, Hengxing Cai, Kenji Kawaguchi, Tat-Seng Chua, Yang Zhang, Xiang Wang
Abstract: 3D molecule generation is crucial for drug discovery and material science, requiring models to process complex multi-modalities, including atom types, chemical bonds, and 3D coordinates. A key challenge is integrating these modalities of different shapes while maintaining SE(3) equivariance for 3D coordinates. To achieve this, existing approaches typically maintain separate latent spaces for invariant and equivariant modalities, reducing efficiency in both training and sampling. In this work, we propose \textbf{U}nified Variational \textbf{A}uto-\textbf{E}ncoder for \textbf{3D} Molecular Latent Diffusion Modeling (\textbf{UAE-3D}), a multi-modal VAE that compresses 3D molecules into latent sequences from a unified latent space, while maintaining near-zero reconstruction error. This unified latent space eliminates the complexities of handling multi-modality and equivariance when performing latent diffusion modeling. We demonstrate this by employing the Diffusion Transformer--a general-purpose diffusion model without any molecular inductive bias--for latent generation. Extensive experiments on GEOM-Drugs and QM9 datasets demonstrate that our method significantly establishes new benchmarks in both \textit{de novo} and conditional 3D molecule generation, achieving leading efficiency and quality. On GEOM-Drugs, it reduces FCD by 72.6\% over the previous best result, while achieving over 70\% relative average improvements in geometric fidelity. Our code is released at https://github.com/lyc0930/UAE-3D/.
Authors: Zhihan Zhang, Xunkai Li, Zhu Lei, Guang Zeng, Ronghua Li, Guoren Wang
Abstract: Recently, the emergence of LLMs has prompted researchers to integrate language descriptions into graphs, aiming to enhance model encoding capabilities from a data-centric perspective. This graph representation is called text-attributed graphs (TAGs). A review of prior advancements highlights that graph structure learning (GSL) is a pivotal technique for improving data utility, making it highly relevant to efficient TAG learning. However, most GSL methods are tailored for traditional graphs without textual information, underscoring the necessity of developing a new GSL paradigm. Despite clear motivations, it remains challenging: (1) How can we define a reasonable optimization objective for GSL in the era of LLMs, considering the massive parameters in LLM? (2) How can we design an efficient model architecture that enables seamless integration of LLM for this optimization objective? For Question 1, we reformulate existing GSL optimization objectives as a tree optimization framework, shifting the focus from obtaining a well-trained edge predictor to a language-aware tree sampler. For Question 2, we propose decoupled and training-free model design principles for LLM integration, shifting the focus from computation-intensive fine-tuning to more efficient inference. Based on this, we propose Large Language and Tree Assistant (LLaTA), which leverages tree-based LLM in-context learning to enhance the understanding of topology and text, enabling reliable inference and generating improved graph structure. Extensive experiments on 11 datasets demonstrate that LLaTA enjoys flexibility-incorporated with any backbone; scalability-outperforms other LLM-enhanced graph learning methods; effectiveness-achieves SOTA predictive performance.
Authors: Felix Stollenwerk
Abstract: Layer normalization (LN) is an essential component of modern neural networks. While many alternative techniques have been proposed, none of them have succeeded in replacing LN so far. The latest suggestion in this line of research is a dynamic activation function called Dynamic Tanh (DyT). Although it is empirically well-motivated and appealing from a practical point of view, it lacks a theoretical foundation. In this work, we shed light on the mathematical relationship between LN and dynamic activation functions. In particular, we derive DyT from the LN variant RMSNorm, and show that a well-defined decoupling in derivative space as well as an approximation are needed to do so. By applying the same decoupling procedure directly in function space, we are able to omit the approximation and obtain the exact element-wise counterpart of RMSNorm, which we call Dynamic Inverse Square Root Unit (DyISRU). We demonstrate numerically that DyISRU reproduces the normalization effect on outliers more accurately than DyT does.
Authors: Alexandre Oliveira, Katarina Dyreby, Francisco Caldas, Cl\'audia Soares
Abstract: The increasing number of satellites and orbital debris has made space congestion a critical issue, threatening satellite safety and sustainability. Challenges such as collision avoidance, station-keeping, and orbital maneuvering require advanced techniques to handle dynamic uncertainties and multi-agent interactions. Reinforcement learning (RL) has shown promise in this domain, enabling adaptive, autonomous policies for space operations; however, many existing RL frameworks rely on custom-built environments developed from scratch, which often use simplified models and require significant time to implement and validate the orbital dynamics, limiting their ability to fully capture real-world complexities. To address this, we introduce OrbitZoo, a versatile multi-agent RL environment built on a high-fidelity industry standard library, that enables realistic data generation, supports scenarios like collision avoidance and cooperative maneuvers, and ensures robust and accurate orbital dynamics. The environment is validated against a real satellite constellation, Starlink, achieving a Mean Absolute Percentage Error (MAPE) of 0.16% compared to real-world data. This validation ensures reliability for generating high-fidelity simulations and enabling autonomous and independent satellite operations.
Authors: Zhenting Wang, Guofeng Cui, Yu-Jhe Li, Kun Wan, Wentian Zhao
Abstract: Recent advances in reinforcement learning (RL)-based post-training have led to notable improvements in large language models (LLMs), particularly in enhancing their reasoning capabilities to handle complex tasks. However, most existing methods treat the training data as a unified whole, overlooking the fact that modern LLM training often involves a mixture of data from diverse distributions-varying in both source and difficulty. This heterogeneity introduces a key challenge: how to adaptively schedule training across distributions to optimize learning efficiency. In this paper, we present a principled curriculum learning framework grounded in the notion of distribution-level learnability. Our core insight is that the magnitude of policy advantages reflects how much a model can still benefit from further training on a given distribution. Based on this, we propose a distribution-level curriculum learning framework for RL-based LLM post-training, which leverages the Upper Confidence Bound (UCB) principle to dynamically adjust sampling probabilities for different distrubutions. This approach prioritizes distributions with either high average advantage (exploitation) or low sample count (exploration), yielding an adaptive and theoretically grounded training schedule. We instantiate our curriculum learning framework with GRPO as the underlying RL algorithm and demonstrate its effectiveness on logic reasoning datasets with multiple difficulties and sources. Our experiments show that our framework significantly improves convergence speed and final performance, highlighting the value of distribution-aware curriculum strategies in LLM post-training. Code: https://github.com/ZhentingWang/DUMP.
Authors: Menglan Chen, Xianghe Pang, Jingjing Dong, WenHao Wang, Yaxin Du, Siheng Chen
Abstract: Aligning Vision-Language Models (VLMs) with safety standards is essential to mitigate risks arising from their multimodal complexity, where integrating vision and language unveils subtle threats beyond the reach of conventional safeguards. Inspired by the insight that reasoning across modalities is key to preempting intricate vulnerabilities, we propose a novel direction for VLM safety: multimodal reasoning-driven prompt rewriting. To this end, we introduce VLMGuard-R1, a proactive framework that refines user inputs through a reasoning-guided rewriter, dynamically interpreting text-image interactions to deliver refined prompts that bolster safety across diverse VLM architectures without altering their core parameters. To achieve this, we devise a three-stage reasoning pipeline to synthesize a dataset that trains the rewriter to infer subtle threats, enabling tailored, actionable responses over generic refusals. Extensive experiments across three benchmarks with five VLMs reveal that VLMGuard-R1 outperforms four baselines. In particular, VLMGuard-R1 achieves a remarkable 43.59\% increase in average safety across five models on the SIUO benchmark.
Authors: Yannis Montreuil, Axel Carlier, Lai Xing Ng, Wei Tsang Ooi
Abstract: Existing Learning-to-Defer (L2D) frameworks are limited to single-expert deferral, forcing each query to rely on only one expert and preventing the use of collective expertise. We introduce the first framework for Top-$k$ Learning-to-Defer, which allocates queries to the $k$ most cost-effective entities. Our formulation unifies and strictly generalizes prior approaches, including the one-stage and two-stage regimes, selective prediction, and classical cascades. In particular, it recovers the usual Top-1 deferral rule as a special case while enabling principled collaboration with multiple experts when $k>1$. We further propose Top-$k(x)$ Learning-to-Defer, an adaptive variant that learns the optimal number of experts per query based on input difficulty, expert quality, and consultation cost. To enable practical learning, we develop a novel surrogate loss that is Bayes-consistent, $\mathcal{H}_h$-consistent in the one-stage setting, and $(\mathcal{H}_r,\mathcal{H}_g)$-consistent in the two-stage setting. Crucially, this surrogate is independent of $k$, allowing a single policy to be learned once and deployed flexibly across $k$. Experiments across both regimes show that Top-$k$ and Top-$k(x)$ deliver superior accuracy-cost trade-offs, opening a new direction for multi-expert deferral in L2D.
Authors: Rubing Yang, Pratik Chaudhari
Abstract: We derive a differential equation that governs the evolution of the generalization gap when a deep network is trained by gradient descent. This differential equation is controlled by two quantities, a contraction factor that brings together trajectories corresponding to slightly different datasets, and a perturbation factor that accounts for them training on different datasets. We analyze this differential equation to compute an ``effective Gram matrix'' that characterizes the generalization gap in terms of the alignment between this Gram matrix and a certain initial ``residual''. Empirical evaluations on image classification datasets indicate that this analysis can predict the test loss accurately. Further, during training, the residual predominantly lies in the subspace of the effective Gram matrix with the smallest eigenvalues. This indicates that the generalization gap accumulates slowly along the direction of training, charactering a benign training process. We provide novel perspectives for explaining the generalization ability of neural network training with different datasets and architectures through the alignment pattern of the ``residual" and the ``effective Gram matrix".
Authors: Adam Younsi, Ahmed Attia, Abdalgader Abubaker, Mohamed El Amine Seddik, Hakim Hacid, Salem Lahlou
Abstract: Achieving both accuracy and diverse reasoning remains challenging for Large Language Models (LLMs) in complex domains like mathematics. A key bottleneck is evaluating intermediate reasoning steps to guide generation without costly human annotations. To address this, we first introduce a novel Process Reward Model (PRM) trained automatically using Monte Carlo Tree Search coupled with a similarity-based data augmentation technique, effectively capturing step-level reasoning quality. Leveraging this PRM, we then adapt Generative Flow Networks (GFlowNets) to operate at the reasoning step level. Unlike traditional reinforcement learning focused on maximizing a single reward, GFlowNets naturally sample diverse, high-quality solutions proportional to their rewards, as measured by our PRM. Empirical evaluation shows strong improvements in both accuracy and solution diversity on challenging mathematical benchmarks (e.g., +2.59% absolute accuracy on MATH Level 5 for Llama3.2-3B), with effective generalization to unseen datasets (+9.4\% absolute on SAT MATH). Furthermore, we benchmark our PRM against existing open-source reward models, demonstrating superior alignment with reasoning quality and more consistent guidance for downstream generation. Our work demonstrates the potential of PRM-guided, step-level GFlowNets for developing more robust and versatile mathematical reasoning in LLMs.
Authors: Athanasios Tziouvaras, Blaz Bertalanic, George Floros, Kostas Kolomvatsos, Panagiotis Sarigiannidis, Carolina Fortuna
Abstract: AI is foreseen to be a centerpiece in next generation wireless networks enabling enabling ubiquitous communication as well as new services. However, in real deployment, feature distribution changes may degrade the performance of AI models and lead to undesired behaviors. To counter for undetected model degradation, we propose ALERT; a method that can detect feature distribution changes and trigger model re-training that works well on two wireless network use cases: wireless fingerprinting and link anomaly detection. ALERT includes three components: representation learning, statistical testing and utility assessment. We rely on MLP for designing the representation learning component, on Kolmogorov-Smirnov and Population Stability Index tests for designing the statistical testing and a new function for utility assessment. We show the superiority of the proposed method against ten standard drift detection methods available in the literature on two wireless network use cases.
Authors: Haozheng Luo, Chenghao Qiu, Yimin Wang, Shang Wu, Jiahao Yu, Zhenyu Pan, Weian Mao, Haoyang Fang, Hao Xu, Han Liu, Binghui Wang, Yan Chen
Abstract: We propose the first unified adversarial attack benchmark for Genomic Foundation Models (GFMs), named GenoArmory. Unlike existing GFM benchmarks, GenoArmory offers the first comprehensive evaluation framework to systematically assess the vulnerability of GFMs to adversarial attacks. Methodologically, we evaluate the adversarial robustness of five state-of-the-art GFMs using four widely adopted attack algorithms and three defense strategies. Importantly, our benchmark provides an accessible and comprehensive framework to analyze GFM vulnerabilities with respect to model architecture, quantization schemes, and training datasets. Additionally, we introduce GenoAdv, a new adversarial sample dataset designed to improve GFM safety. Empirically, classification models exhibit greater robustness to adversarial perturbations compared to generative models, highlighting the impact of task type on model vulnerability. Moreover, adversarial attacks frequently target biologically significant genomic regions, suggesting that these models effectively capture meaningful sequence features.
Authors: Zhexiang Li, Haoyu Wang, Yutong Bao, David Woodruff
Abstract: Recent advances in transformer architectures deeply enhanced long-context language modeling. Among them, HyperAttention achieves competitive efficiency by combining a single-level LSH-based clustering with uniform residual sampling. However, HyperAttention fails to find all significant keys, which in turn raises the overall perplexity. We propose a pre-scoring mechanism that prioritizes significant keys before applying HyperAttention. We introduce three scoring methods: $k$-means and kernel $k$-means clustering, $k$-median clustering, and leverage score-based ranking (inspired by LevAttention) to filter keys effectively. We further replace HyperAttention's original uniform residual sampling, relying exclusively on our pre-scoring mechanism. Experiments on ChatGLM2 (131k token context) reduce perplexity from 12 to 8.3, which outperforms standard HyperAttention. Moreover, when running on the Vision-Transformer (ViT), our method shows that it can guarantee similar accuracy compared with LevAttention, and will surpass LevAttention given specific parameters. Although this method introduces some computational overhead, its combination with HyperAttention achieves up to 20 times faster than FlashAttention, providing a balanced trade-off between speed and modeling accuracy. Our results highlight the effectiveness of integrating pre-scoring into hierarchical attention mechanisms, significantly improving transformer efficiency.
Authors: Elliot L. Epstein, Apaar Sadhwani, Kay Giesecke
Abstract: Many prediction problems across science and engineering, especially in finance and economics, involve large cross-sections of individual time series, where each unit (e.g., a loan, stock, or customer) is driven by unit-level features and latent cross-sectional dynamics. While sequence models have advanced per-unit temporal prediction, capturing cross-sectional effects often still relies on hand-crafted summary features. We propose Set-Sequence, a model that learns cross-sectional structure directly, enhancing expressivity and eliminating manual feature engineering. At each time step, a permutation-invariant Set module summarizes the unit set; a Sequence module then models each unit's dynamics conditioned on both its features and the learned summary. The architecture accommodates unaligned series, supports varying numbers of units at inference, integrates with standard sequence backbones (e.g., Transformers), and scales linearly in cross-sectional size. Across a synthetic contagion task and two large-scale real-world applications, equity portfolio optimization and loan risk prediction, Set-Sequence significantly outperforms strong baselines, delivering higher Sharpe ratios, improved AUCs, and interpretable cross-sectional summaries.
Authors: Zhen Li, Yupeng Su, Songmiao Wang, Runming Yang, Congkai Xie, Aofan Liu, Ming Li, Jiannong Cao, Ngai Wong, Hongxia Yang
Abstract: Low-bit post-training quantization (PTQ) is a practical route to deploy reasoning-capable LLMs under tight memory and latency budgets, yet it can markedly impair mathematical reasoning (drops up to 69.81% in our harder settings). We address two deployment-critical questions with process-level precision: Where along a step-structured solution does degradation first arise? How to mitigate it while staying in the low-bit regime? Across widely used PTQ methods (AWQ, GPTQ, SmoothQuant), open-source model families (Qwen, LLaMA; 0.5--7B), and math reasoning benchmarks (GSM8K, MATH, AIME), we perform format-aligned chain-of-thought with step-aligned attribution and uncover two robust regularities: (i) PTQ disproportionately elevates method and execution errors relative to high-level conceptual mistakes; and (ii) failures emerge early, with the first vulnerable step flipping and cascading to the final answer. These regularities suggest a general intervention principle: restore local token-level margins exactly at the earliest failure frontier. We instantiate this principle as a lightweight measure$\rightarrow$locate$\rightarrow$restore loop that operates directly on the quantized model: detect the first faulty step, construct our "Silver Bullet" datasets, and apply small-scale supervised/preference tuning. In our settings, as few as 332 curated examples and 3--5 minutes of compute on a single GPU recover 4-bit weight math reasoning toward the full-precision baseline while preserving PTQ efficiency. Our framework is quantizer- and architecture-agnostic within the evaluated regimes, and turns low-bit degradation from a global accuracy problem into a local, reproducible process intervention.
Authors: Alberto Sinigaglia, Davide Sartor, Marina Ceccon, Gian Antonio Susto
Abstract: Fair classification is a critical challenge that has gained increasing importance due to international regulations and its growing use in high-stakes decision-making settings. Existing methods often rely on adversarial learning or distribution matching across sensitive groups; however, adversarial learning can be unstable, and distribution matching can be computationally intensive. To address these limitations, we propose a novel approach based on the characteristic function distance. Our method ensures that the learned representation contains minimal sensitive information while maintaining high effectiveness for downstream tasks. By utilizing characteristic functions, we achieve a more stable and efficient solution compared to traditional methods. Additionally, we introduce a simple relaxation of the objective function that guarantees fairness in common classification models with no performance degradation. Experimental results on benchmark datasets demonstrate that our approach consistently matches or achieves better fairness and predictive accuracy than existing methods. Moreover, our method maintains robustness and computational efficiency, making it a practical solution for real-world applications.
Authors: Davide Murari, Takashi Furuya, Carola-Bibiane Sch\"onlieb
Abstract: 1-Lipschitz neural networks are fundamental for generative modelling, inverse problems, and robust classifiers. In this paper, we focus on 1-Lipschitz residual networks (ResNets) based on explicit Euler steps of negative gradient flows and study their approximation capabilities. Leveraging the Restricted Stone-Weierstrass Theorem, we first show that these 1-Lipschitz ResNets are dense in the set of scalar 1-Lipschitz functions on any compact domain when width and depth are allowed to grow. We also show that these networks can exactly represent scalar piecewise affine 1-Lipschitz functions. We then prove a stronger statement: by inserting norm-constrained linear maps between the residual blocks, the same density holds when the hidden width is fixed. Because every layer obeys simple norm constraints, the resulting models can be trained with off-the-shelf optimisers. This paper provides the first universal approximation guarantees for 1-Lipschitz ResNets, laying a rigorous foundation for their practical use.
Authors: Ji Qi, Tam Thuc Do, Mingxiao Liu, Zhuoshi Pan, Yuzhe Li, Gene Cheung, H. Vicky Zhao
Abstract: Unlike conventional "black-box" transformers with classical self-attention mechanism, we build a lightweight and interpretable transformer-like neural net by unrolling a mixed-graph-based optimization algorithm to forecast traffic with spatial and temporal dimensions. We construct two graphs: an undirected graph $\mathcal{G}^u$ capturing spatial correlations across geography, and a directed graph $\mathcal{G}^d$ capturing sequential relationships over time. We predict future samples of signal $\mathbf{x}$, assuming it is "smooth" with respect to both $\mathcal{G}^u$ and $\mathcal{G}^d$, where we design new $\ell_2$ and $\ell_1$-norm variational terms to quantify and promote signal smoothness (low-frequency reconstruction) on a directed graph. We design an iterative algorithm based on alternating direction method of multipliers (ADMM), and unroll it into a feed-forward network for data-driven parameter learning. We insert graph learning modules for $\mathcal{G}^u$ and $\mathcal{G}^d$ that play the role of self-attention. Experiments show that our unrolled networks achieve competitive traffic forecast performance as state-of-the-art prediction schemes, while reducing parameter counts drastically. Our code is available in https://github.com/SingularityUndefined/Unrolling-GSP-STForecast .
URLs: https://github.com/SingularityUndefined/Unrolling-GSP-STForecast
Authors: Xiaohui Wang, Peng Ye, Chenyu Huang, Shenghe Zheng, Bo Zhang, Lei Bai, Wanli Ouyang, Tao Chen
Abstract: With the rise of the fine-tuned-pretrained paradigm, storing numerous fine-tuned models for multi-tasking creates significant storage overhead. Delta compression alleviates this by storing only the pretrained model and the highly compressed delta weights (the differences between fine-tuned and pretrained model weights). However, existing methods fail to maintain both high compression and performance, and often rely on data. To address these challenges, we propose UltraDelta, the first data-free delta compression pipeline that achieves both ultra-high compression and strong performance. UltraDelta is designed to minimize redundancy, maximize information, and stabilize performance across inter-layer, intra-layer, and global dimensions, using three key components: (1) Variance-Based Mixed Sparsity Allocation assigns sparsity based on variance, giving lower sparsity to high-variance layers to preserve inter-layer information. (2) Distribution-Aware Compression applies uniform quantization and then groups parameters by value, followed by group-wise pruning, to better preserve intra-layer distribution. (3) Trace-Norm-Guided Rescaling uses the trace norm of delta weights to estimate a global rescaling factor, improving model stability under higher compression. Extensive experiments across (a) large language models (fine-tuned on LLaMA-2 7B and 13B) with up to 50x compression, (b) general NLP models (RoBERTa-base, T5-base) with up to 224x compression, (c) vision models (ViT-B/32, ViT-L/14) with up to 132x compression, and (d) multi-modal models (BEiT-3) with 18x compression, demonstrate that UltraDelta consistently outperforms existing methods, especially under ultra-high compression. Code is available at https://github.com/xiaohuiwang000/UltraDelta.
Authors: Ting Wei, Biao Mei, Junliang Lyu, Renquan Zhang, Feng Zhou, Yifan Sun
Abstract: Personalized Bayesian federated learning (PBFL) handles non-i.i.d. client data and quantifies uncertainty by combining personalization with Bayesian inference. However, existing PBFL methods face two limitations: restrictive parametric assumptions in client posterior inference and naive parameter averaging for server aggregation. To overcome these issues, we propose FedWBA, a novel PBFL method that enhances both local inference and global aggregation. At the client level, we use particle-based variational inference for nonparametric posterior representation. At the server level, we introduce particle-based Wasserstein barycenter aggregation, offering a more geometrically meaningful approach. Theoretically, we provide local and global convergence guarantees for FedWBA. Locally, we prove a KL divergence decrease lower bound per iteration for variational inference convergence. Globally, we show that the Wasserstein barycenter converges to the true parameter as the client data size increases. Empirically, experiments show that FedWBA outperforms baselines in prediction accuracy, uncertainty calibration, and convergence rate, with ablation studies confirming its robustness.
Authors: Kunyun Wang, Bohan Li, Kai Yu, Minyi Guo, Jieru Zhao
Abstract: Diffusion models have emerged as a powerful class of generative models across various modalities, including image, video, and audio synthesis. However, their deployment is often limited by significant inference latency, primarily due to the inherently sequential nature of the denoising process. While existing parallelization strategies attempt to accelerate inference by distributing computation across multiple devices, they typically incur high communication overhead, hindering deployment on commercial hardware. To address this challenge, we propose \textbf{ParaStep}, a novel parallelization method based on a reuse-then-predict mechanism that parallelizes diffusion inference by exploiting similarity between adjacent denoising steps. Unlike prior approaches that rely on layer-wise or stage-wise communication, ParaStep employs lightweight, step-wise communication, substantially reducing overhead. ParaStep achieves end-to-end speedups of up to \textbf{3.88}$\times$ on SVD, \textbf{2.43}$\times$ on CogVideoX-2b, and \textbf{6.56}$\times$ on AudioLDM2-large, while maintaining generation quality. These results highlight ParaStep as a scalable and communication-efficient solution for accelerating diffusion inference, particularly in bandwidth-constrained environments.
Authors: Yihong Tang, Menglin Kong, Junlin He, Tong Nie, Lijun Sun
Abstract: Macro-aligned micro-records are crucial for credible simulations in social science and urban studies. For example, epidemic models are only reliable when individual-level mobility and contacts mirror real behavior, while aggregates match real-world statistics like case counts or travel flows. However, collecting such fine-grained data at scale is impractical, leaving researchers with only macro-level data. LLMSynthor addresses this by turning a pretrained LLM into a macro-aware simulator that generates realistic micro-records consistent with target macro-statistics. It iteratively builds synthetic datasets: in each step, the LLM generates batches of records to minimize discrepancies between synthetic and target aggregates. Treating the LLM as a nonparametric copula allows the model to capture realistic joint dependencies among variables. To improve efficiency, LLM Proposal Sampling guides the LLM to propose targeted record batches, specifying variable ranges and counts, to efficiently correct discrepancies while preserving realism grounded in the model's priors. Evaluations across domains (mobility, e-commerce, population) show that LLMSynthor achieves strong realism, statistical fidelity, and practical utility, making it broadly applicable to economics, social science, and urban studies.
Authors: Beier Luo, Shuoyuan Wang, Yixuan Li, Hongxin Wei
Abstract: Post-training of large language models is essential for adapting pre-trained language models (PLMs) to align with human preferences and downstream tasks. While PLMs typically exhibit well-calibrated confidence, post-trained language models (PoLMs) often suffer from over-confidence, assigning high confidence to both correct and incorrect outputs, which can undermine reliability in critical applications. A major obstacle in calibrating PoLMs is the scarcity of labeled data for individual downstream tasks. To address this, we propose Disagreement-Aware Confidence Alignment (DACA), a novel unsupervised method to optimize the parameters (e.g., temperature $\tau$) in post-hoc confidence calibration. Our method is motivated by the under-confidence issue caused by prediction disagreement between the PLM and PoLM while aligning their confidence via temperature scaling. Theoretically, the PLM's confidence underestimates PoLM's prediction accuracy on disagreement examples, causing a larger $\tau$ and producing under-confident predictions. DACA mitigates this by selectively using only agreement examples for calibration, effectively decoupling the influence of disagreement. In this manner, our method avoids an overly large $\tau$ in temperature scaling caused by disagreement examples, improving calibration performance. Extensive experiments demonstrate the effectiveness of our method, improving the average ECE of open-sourced and API-based LLMs (e.g. GPT-4o) by up to 15.08$\%$ on common benchmarks.
Authors: Qilin Wang
Abstract: Long-term time-series forecasting (LTSF) models are often presented as general-purpose solutions that can be applied across domains, implicitly assuming that all data is pointwise predictable. Using chaotic systems such as Lorenz-63 as a case study, we argue that geometric structure - not pointwise prediction - is the right abstraction for a dynamic-agnostic foundational model. Minimizing the Wasserstein-2 distance (W2), which captures geometric changes, and providing a spectral view of dynamics are essential for long-horizon forecasting. Our model, FRIREN (Flow-inspired Representations via Interpretable Eigen-networks), implements an augmented normalizing-flow block that embeds data into a normally distributed latent representation. It then generates a W2-efficient optimal path that can be decomposed into rotation, scaling, inverse rotation, and translation. This architecture yields locally generated, geometry-preserving predictions that are independent of the underlying dynamics, and a global spectral representation that functions as a finite Koopman operator with a small modification. This enables practitioners to identify which modes grow, decay, or oscillate, both locally and system-wide. FRIREN achieves an MSE of 11.4, MAE of 1.6, and SWD of 0.96 on Lorenz-63 in a 336-in, 336-out, dt=0.01 setting, surpassing TimeMixer (MSE 27.3, MAE 2.8, SWD 2.1). The model maintains effective prediction for 274 out of 336 steps, approximately 2.5 Lyapunov times. On Rossler (96-in, 336-out), FRIREN achieves an MSE of 0.0349, MAE of 0.0953, and SWD of 0.0170, outperforming TimeMixer's MSE of 4.3988, MAE of 0.886, and SWD of 3.2065. FRIREN is also competitive on standard LTSF datasets such as ETT and Weather. By connecting modern generative flows with classical spectral analysis, FRIREN makes long-term forecasting both accurate and interpretable, setting a new benchmark for LTSF model design.
Authors: Ignacio Cabrera Martin, Subhaditya Mukherjee, Almas Baimagambetov, Joaquin Vanschoren, Nikolaos Polatidis
Abstract: In an era defined by rapid data evolution, traditional Machine Learning (ML) models often fall short in adapting to dynamic environments. Evolving Machine Learning (EML) has emerged as a critical paradigm, enabling continuous learning and adaptation in real-time data streams. This survey presents a comprehensive analysis of EML, focusing on five core challenges: data drift, concept drift, catastrophic forgetting, skewed learning, and network adaptation. We systematically review over 100 studies, categorizing state-of-the-art methods across supervised, unsupervised, and semi-supervised approaches. The survey explores diverse evaluation metrics, benchmark datasets, and real-world applications, offering a comparative lens on the effectiveness and limitations of current techniques. Additionally, we highlight the growing role of adaptive neural architectures, meta-learning, and ensemble strategies in addressing evolving data complexities. By synthesizing insights from recent literature, this work not only maps the current landscape of EML but also identifies critical gaps and opportunities for future research. Our findings aim to guide researchers and practitioners in developing robust, ethical, and scalable EML systems for real-world deployment.
Authors: Fengqi Zhu, Rongzhen Wang, Shen Nie, Xiaolu Zhang, Chunwei Wu, Jun Hu, Jun Zhou, Jianfei Chen, Yankai Lin, Ji-Rong Wen, Chongxuan Li
Abstract: While Masked Diffusion Models (MDMs), such as LLaDA, present a promising paradigm for language modeling, there has been relatively little effort in aligning these models with human preferences via reinforcement learning. The challenge primarily arises from the high variance in Evidence Lower Bound (ELBO)-based likelihood estimates required for preference optimization. To address this issue, we propose Variance-Reduced Preference Optimization (VRPO), a framework that formally analyzes the variance of ELBO estimators and derives bounds on both the bias and variance of preference optimization gradients. Building on this theoretical foundation, we introduce unbiased variance reduction strategies, including optimal Monte Carlo budget allocation and antithetic sampling, that significantly improve the performance of MDM alignment. We demonstrate the effectiveness of VRPO by applying it to LLaDA, and the resulting model, LLaDA 1.5, outperforms its SFT-only predecessor consistently and significantly across mathematical (GSM8K +4.7), code (HumanEval +3.0, MBPP +1.8), and alignment benchmarks (IFEval +4.0, Arena-Hard +4.3). Furthermore, LLaDA 1.5 demonstrates a highly competitive mathematical performance compared to strong language MDMs and ARMs. Project page: https://ml-gsai.github.io/LLaDA-1.5-Demo/.
Authors: Mohammed D. Belgoumri, Mohamed Reda Bouadjenek, Hakim Hacid, Imran Razzak, Sunil Aryal
Abstract: Training large neural networks (NNs) requires optimizing high-dimensional data-dependent loss functions. The optimization landscape of these functions is often highly complex and textured, even fractal-like, with many spurious local minima, ill-conditioned valleys, degenerate points, and saddle points. Complicating things further is the fact that these landscape characteristics are a function of the data, meaning that noise in the training data can propagate forward and give rise to unrepresentative small-scale geometry. This poses a difficulty for gradient-based optimization methods, which rely on local geometry to compute updates and are, therefore, vulnerable to being derailed by noisy data. In practice,this translates to a strong dependence of the optimization dynamics on the noise in the data, i.e., poor generalization performance. To remediate this problem, we propose a new optimization procedure: Rolling Ball Optimizer (RBO), that breaks this spatial locality by incorporating information from a larger region of the loss landscape in its updates. We achieve this by simulating the motion of a rigid sphere of finite radius rolling on the loss landscape, a straightforward generalization of Gradient Descent (GD) that simplifies into it in the infinitesimal limit. The radius serves as a hyperparameter that determines the scale at which RBO sees the loss landscape, allowing control over the granularity of its interaction therewith. We are motivated by the intuition that the large-scale geometry of the loss landscape is less data-specific than its fine-grained structure, and that it is easier to optimize. We support this intuition by proving that our algorithm has a smoothing effect on the loss function. Evaluation against SGD, SAM, and Entropy-SGD, on MNIST and CIFAR-10/100 demonstrates promising results in terms of convergence speed, training accuracy, and generalization performance.
Authors: Haoyu Zhang, Wentao Zhang, Hao Miao, Xinke Jiang, Yuchen Fang, Yifan Zhang
Abstract: Spatio-Temporal Graph Neural Networks (STGNNs) have emerged as a powerful tool for modeling dynamic graph-structured data across diverse domains. However, they often fail to generalize in Spatio-Temporal Out-of-Distribution (STOOD) scenarios, where both temporal dynamics and spatial structures evolve beyond the training distribution. To address this problem, we propose an innovative Spatio-Temporal Retrieval-Augmented Pattern Learning framework,STRAP, which enhances model generalization by integrating retrieval-augmented learning into the STGNN continue learning pipeline. The core of STRAP is a compact and expressive pattern library that stores representative spatio-temporal patterns enriched with historical, structural, and semantic information, which is obtained and optimized during the training phase. During inference, STRAP retrieves relevant patterns from this library based on similarity to the current input and injects them into the model via a plug-and-play prompting mechanism. This not only strengthens spatio-temporal representations but also mitigates catastrophic forgetting. Moreover, STRAP introduces a knowledge-balancing objective to harmonize new information with retrieved knowledge. Extensive experiments across multiple real-world streaming graph datasets show that STRAP consistently outperforms state-of-the-art STGNN baselines on STOOD tasks, demonstrating its robustness, adaptability, and strong generalization capability without task-specific fine-tuning.
Authors: Zhipeng He, Chun Ouyang, Lijie Wen, Cong Liu, Catarina Moreira
Abstract: Adversarial attacks pose a significant threat to machine learning models by inducing incorrect predictions through imperceptible perturbations to input data. While these attacks are well studied in unstructured domains such as images, their behaviour on tabular data remains underexplored due to mixed feature types and complex inter-feature dependencies. This study introduces a comprehensive benchmark that evaluates adversarial attacks on tabular datasets with respect to both effectiveness and imperceptibility. We assess five white-box attack algorithms (FGSM, BIM, PGD, DeepFool, and C\&W) across four representative models (LR, MLP, TabTransformer and FT-Transformer) using eleven datasets spanning finance, energy, and healthcare domains. The benchmark employs four quantitative imperceptibility metrics (proximity, sparsity, deviation, and sensitivity) to characterise perturbation realism. The analysis quantifies the trade-off between these two aspects and reveals consistent differences between attack types, with $\ell_\infty$-based attacks achieving higher success but lower subtlety, and $\ell_2$-based attacks offering more realistic perturbations. The benchmark findings offer actionable insights for designing more imperceptible adversarial attacks, advancing the understanding of adversarial vulnerability in tabular machine learning.
Authors: Santhosh Parampottupadam, Melih Co\c{s}\u{g}un, Sarthak Pati, Maximilian Zenk, Saikat Roy, Dimitrios Bounias, Benjamin Hamm, Sinem Sav, Ralf Floca, Klaus Maier-Hein
Abstract: Federated Learning (FL) offers a promising approach for training clinical AI models without centralizing sensitive patient data. However, its real-world adoption is hindered by challenges related to privacy, resource constraints, and compliance. Existing Differential Privacy (DP) approaches often apply uniform noise, which disproportionately degrades model performance, even among well-compliant institutions. In this work, we propose a novel compliance-aware FL framework that enhances DP by adaptively adjusting noise based on quantifiable client compliance scores. Additionally, we introduce a compliance scoring tool based on key healthcare and security standards to promote secure, inclusive, and equitable participation across diverse clinical settings. Extensive experiments on public datasets demonstrate that integrating under-resourced, less compliant clinics with highly regulated institutions yields accuracy improvements of up to 15% over traditional FL. This work advances FL by balancing privacy, compliance, and performance, making it a viable solution for real-world clinical workflows in global healthcare.
Authors: Haokun Chen, Yueqi Zhang, Yuan Bi, Yao Zhang, Tong Liu, Jinhe Bi, Jian Lan, Jindong Gu, Claudia Grosser, Denis Krompass, Nassir Navab, Volker Tresp
Abstract: In recent years, Large Language Models (LLMs) have achieved remarkable advancements, drawing significant attention from the research community. Their capabilities are largely attributed to large-scale architectures, which require extensive training on massive datasets. However, such datasets often contain sensitive or copyrighted content sourced from the public internet, raising concerns about data privacy and ownership. Regulatory frameworks, such as the General Data Protection Regulation (GDPR), grant individuals the right to request the removal of such sensitive information. This has motivated the development of machine unlearning algorithms that aim to remove specific knowledge from models without the need for costly retraining. Despite these advancements, evaluating the efficacy of unlearning algorithms remains a challenge due to the inherent complexity and generative nature of LLMs. In this work, we introduce a comprehensive auditing framework for unlearning evaluation, comprising three benchmark datasets, six unlearning algorithms, and five prompt-based auditing methods. By using various auditing algorithms, we evaluate the effectiveness and robustness of different unlearning strategies. To explore alternatives beyond prompt-based auditing, we propose a novel technique that leverages intermediate activation perturbations, addressing the limitations of auditing methods that rely solely on model inputs and outputs.
Authors: Qingyu Shi, Jinbin Bai, Zhuoran Zhao, Wenhao Chai, Kaidong Yu, Jianzong Wu, Shuangyong Song, Yunhai Tong, Xiangtai Li, Xuelong Li, Shuicheng Yan
Abstract: Unified generation models aim to handle diverse tasks across modalities -- such as text generation, image generation, and vision-language reasoning -- within a single architecture and decoding paradigm. Autoregressive unified models suffer from slow inference due to sequential decoding, and non-autoregressive unified models suffer from weak generalization due to limited pretrained backbones. We introduce Muddit, a unified discrete diffusion transformer that enables fast and parallel generation across both text and image modalities. Unlike prior unified diffusion models trained from scratch, Muddit integrates strong visual priors from a pretrained text-to-image backbone with a lightweight text decoder, enabling flexible and high-quality multimodal generation under a unified architecture. Empirical results show that Muddit achieves competitive or superior performance compared to significantly larger autoregressive models in both quality and efficiency. The work highlights the potential of purely discrete diffusion, when equipped with strong visual priors, as a scalable and effective backbone for unified generation.
Authors: Yichen Shi, Ze Zhang, Hongyang Wang, Zhuofu Tao, Zhongyi Li, Bingyu Chen, Yaxin Wang, Zhen huang, Xuhua Liu, Quan Chen, Zhiping Yu, Ting-Jung Lin, Lei He
Abstract: Analog/Mixed-Signal (AMS) circuits play a critical role in the integrated circuit (IC) industry. However, automating Analog/Mixed-Signal (AMS) circuit design has remained a longstanding challenge due to its difficulty and complexity. Although recent advances in Multi-modal Large Language Models (MLLMs) offer promising potential for supporting AMS circuit analysis and design, current research typically evaluates MLLMs on isolated tasks within the domain, lacking a comprehensive benchmark that systematically assesses model capabilities across diverse AMS-related challenges. To address this gap, we introduce AMSbench, a benchmark suite designed to evaluate MLLM performance across critical tasks including circuit schematic perception, circuit analysis, and circuit design. AMSbench comprises approximately 8000 test questions spanning multiple difficulty levels and assesses eight prominent models, encompassing both open-source and proprietary solutions such as Qwen 2.5-VL and Gemini 2.5 Pro. Our evaluation highlights significant limitations in current MLLMs, particularly in complex multi-modal reasoning and sophisticated circuit design tasks. These results underscore the necessity of advancing MLLMs' understanding and effective application of circuit-specific knowledge, thereby narrowing the existing performance gap relative to human expertise and moving toward fully automated AMS circuit design workflows. Our data is released at this URL.
Authors: Yaoyu Zhu, Di Huang, Hanqi Lyu, Xiaoyun Zhang, Chongxiao Li, Wenxuan Shi, Yutong Wu, Jianan Mu, Jinghua Wang, Yang Zhao, Pengwei Jin, Shuyao Cheng, Shengwen Liang, Xishan Zhang, Rui Zhang, Zidong Du, Qi Guo, Xing Hu, Yunji Chen
Abstract: Large language models (LLMs) trained via reinforcement learning with verifiable reward (RLVR) have achieved breakthroughs on tasks with explicit, automatable verification, such as software programming and mathematical problems. Extending RLVR to electronic design automation (EDA), especially automatically generating hardware description languages (HDLs) like Verilog from natural-language (NL) specifications, however, poses three key challenges: the lack of automated and accurate verification environments, the scarcity of high-quality NL-code pairs, and the prohibitive computation cost of RLVR. To this end, we introduce CodeV-R1, an RLVR framework for training Verilog generation LLMs. First, we develop a rule-based testbench generator that performs robust equivalence checking against golden references. Second, we propose a round-trip data synthesis method that pairs open-source Verilog snippets with LLM-generated NL descriptions, verifies code-NL-code consistency via the generated testbench, and filters out inequivalent examples to yield a high-quality dataset. Third, we employ a two-stage "distill-then-RL" training pipeline: distillation for the cold start of reasoning abilities, followed by adaptive DAPO, our novel RLVR algorithm that can reduce training cost by adaptively adjusting sampling rate. The resulting model, CodeV-R1-7B, achieves 68.6% and 72.9% pass@1 on VerilogEval v2 and RTLLM v1.1, respectively, surpassing prior state-of-the-art by 12~20%, while even exceeding the performance of 671B DeepSeek-R1 on RTLLM. We have released our model, training code, and dataset to facilitate research in EDA and LLM communities.
Authors: James R. Golden
Abstract: Despite significant progress in transformer interpretability, an understanding of the computational mechanisms of large language models (LLMs) remains a fundamental challenge. Many approaches interpret a network's hidden representations but remain agnostic about how those representations are generated. We address this by mapping LLM inference for a given input sequence to an equivalent and interpretable linear system which reconstructs the predicted output embedding with relative error below $10^{-13}$ at double floating-point precision, requiring no additional model training. We exploit a property of transformers wherein every operation (gated activations, attention, and normalization) can be expressed as $A(x) \cdot x$, where $A(x)$ represents an input-dependent linear transform and $x$ preserves the linear pathway. To expose this linear structure, we strategically detach components of the gradient computation with respect to an input sequence, freezing the $A(x)$ terms at their values computed during inference, such that the Jacobian yields an equivalent linear mapping. This detached Jacobian of the model reconstructs the output with one linear operator per input token, which is shown for Qwen 3, Gemma 3 and Llama 3, up to Qwen 3 14B. These linear representations demonstrate that LLMs operate in extremely low-dimensional subspaces where the singular vectors can be decoded to interpretable semantic concepts. The computation for each intermediate output also has a linear equivalent, and we examine how the linear representations of individual layers and their attention and multilayer perceptron modules build predictions, and use these as steering operators to insert semantic concepts into unrelated text. Despite their global nonlinearity, LLMs can be interpreted through equivalent linear representations that reveal low-dimensional semantic structures in the next-token prediction process.
Authors: Kyowoon Lee, Jaesik Choi
Abstract: Diffusion-based generative models are emerging as powerful tools for long-horizon planning in reinforcement learning (RL), particularly with offline datasets. However, their performance is fundamentally limited by the quality and diversity of training data. This often restricts their generalization to tasks outside their training distribution or longer planning horizons. To overcome this challenge, we propose State-Covering Trajectory Stitching (SCoTS), a novel reward-free trajectory augmentation method that incrementally stitches together short trajectory segments, systematically generating diverse and extended trajectories. SCoTS first learns a temporal distance-preserving latent representation that captures the underlying temporal structure of the environment, then iteratively stitches trajectory segments guided by directional exploration and novelty to effectively cover and expand this latent space. We demonstrate that SCoTS significantly improves the performance and generalization capabilities of diffusion planners on offline goal-conditioned benchmarks requiring stitching and long-horizon reasoning. Furthermore, augmented trajectories generated by SCoTS significantly improve the performance of widely used offline goal-conditioned RL algorithms across diverse environments.
Authors: Changsheng Wang, Yihua Zhang, Jinghan Jia, Parikshit Ram, Dennis Wei, Yuguang Yao, Soumyadeep Pal, Nathalie Baracaldo, Sijia Liu
Abstract: Machine unlearning offers a promising solution to privacy and safety concerns in large language models (LLMs) by selectively removing targeted knowledge while preserving utility. However, current methods are highly sensitive to downstream fine-tuning, which can quickly recover forgotten information-even from unrelated tasks. To address this, we introduce invariance into unlearning for the first time, inspired by invariant risk minimization (IRM). Building on this principle, we propose invariant LLM unlearning (ILU), a regularization-based framework that enhances robustness. Notably, ILU generalizes well to diverse fine-tuning tasks, even when trained using a single dataset. A task vector analysis is also provided to further elucidate the rationale behind ILU's effectiveness. Extensive experiments on the WMDP and MUSE benchmark, reveal that ILU significantly outperforms state-of-the-art unlearning methods, including negative preference optimization (NPO) and representation misdirection for unlearning (RMU). Notably, ILU achieves superior unlearning robustness across diverse downstream fine-tuning scenarios (e.g., math, paraphrase detection, and sentiment analysis) while preserving the fine-tuning performance.
Authors: Wei Shen, Zhang Yaxiang, Minhui Huang, Mengfan Xu, Jiawei Zhang, Cong Shen
Abstract: With increasing size of large language models (LLMs), full-parameter fine-tuning imposes substantial memory demands. To alleviate this, we propose a novel memory-efficient training paradigm called Momentum Low-rank compression (MLorc). The key idea of MLorc is to compress and reconstruct the momentum of matrix parameters during training to reduce memory consumption. Compared to LoRA, MLorc avoids enforcing a fixed-rank constraint on weight update matrices and thus enables full-parameter learning. Compared to GaLore, MLorc directly compress the momentum rather than gradients, thereby better preserving the training dynamics of full-parameter fine-tuning. We provide a theoretical guarantee for its convergence under mild assumptions. Empirically, MLorc consistently outperforms other memory-efficient training methods, matches or even exceeds the performance of full fine-tuning at small ranks (e.g., $r=4$), and generalizes well across different optimizers -- all while not compromising time or memory efficiency.
Authors: Wei Huang, Hanchen Wang, Dong Wen, Shaozhen Ma, Wenjie Zhang, Xuemin Lin
Abstract: Graph Edit Distance (GED) is a fundamental graph similarity metric widely used in various applications. However, computing GED is an NP-hard problem. Recent state-of-the-art hybrid GED solver has shown promising performance by formulating GED as a bipartite graph matching problem, then leveraging a generative diffusion model to predict node matching between two graphs, from which both the GED and its corresponding edit path can be extracted using a traditional algorithm. However, such methods typically rely heavily on ground-truth supervision, where the ground-truth node matchings are often costly to obtain in real-world scenarios. In this paper, we propose GEDRanker, a novel unsupervised GAN-based framework for GED computation. Specifically, GEDRanker consists of a matching-based GED solver and introduces an interpretable preference-aware discriminator. By leveraging preference signals over different node matchings derived from edit path lengths, the discriminator can guide the matching-based solver toward generating high-quality node matching without the need for ground-truth supervision. Extensive experiments on benchmark datasets demonstrate that our GEDRanker enables the matching-based GED solver to achieve near-optimal solution quality without any ground-truth supervision.
Authors: Abdelrahman Sayed Sayed, Pierre-Jean Meyer, Mohamed Ghazel
Abstract: A neural ordinary differential equation (neural ODE) is a machine learning model that is commonly described as a continuous-depth generalization of a residual network (ResNet) with a single residual block, or conversely, the ResNet can be seen as the Euler discretization of the neural ODE. These two models are therefore strongly related in a way that the behaviors of either model are considered to be an approximation of the behaviors of the other. In this work, we establish a more formal relationship between these two models by bounding the approximation error between two such related models. The obtained error bound then allows us to use one of the models as a verification proxy for the other, without running the verification tools twice: if the reachable output set expanded by the error bound satisfies a safety property on one of the models, this safety property is then guaranteed to be also satisfied on the other model. This feature is fully reversible, and the initial safety verification can be run indifferently on either of the two models. This novel approach is illustrated on a numerical example of a fixed-point attractor system modeled as a neural ODE.
Authors: Kyung Rok Kim, Yumo Bai, Chonghuan Wang, Guanting Chen
Abstract: We study how data of higher quality can be leveraged to improve performance in Direct Preference Optimization (DPO), aiming to understand its impact on DPO training dynamics. Our analyses show that both the solution space and the convergence behavior of DPO depend on the support and quality of the data-generating distribution. We first analyze how data and reference policy influence policy updates during gradient descent, and how a practical phenomenon known as likelihood displacement can interfere with the desired dynamics. We then design a simplified yet well-structured alignment model as a proxy that preserves most of the beneficial properties of RLHF while avoiding likelihood displacement. Based on this model, we develop quantitative results showing how more frequent high-quality responses amplify the gradient signal and improve the optimization landscape, leading to more effective policy learning. Our theoretical findings are supported by empirical experiments and provide a principled justification for the online DPO framework in practice.
Authors: Luis Pinto
Abstract: Pretrained molecular encoders have become indispensable in computational chemistry for tasks such as property prediction and molecular generation. However, the standard practice of relying solely on final-layer embeddings for downstream tasks may discard valuable information. In this work, we first analyze the information flow in five diverse molecular encoders and find that intermediate layers retain more general-purpose features, whereas the final-layer specializes and compresses information. We then perform an empirical layer-wise evaluation across 22 property prediction tasks. We find that using frozen embeddings from optimal intermediate layers improves downstream performance by an average of 5.4%, up to 28.6%, compared to the final-layer. Furthermore, finetuning encoders truncated at intermediate depths achieves even greater average improvements of 8.5%, with increases as high as 40.8%, obtaining new state-of-the-art results on several benchmarks. These findings highlight the importance of exploring the full representational depth of molecular encoders to achieve substantial performance improvements and computational efficiency. The code will be made publicly available.
Authors: S. R. Eshwar, Gugan Thoppe, Ananyabrata Barua, Aditya Gopalan, Gal Dalal
Abstract: We introduce Reliable Policy Iteration (RPI) and Conservative RPI (CRPI), variants of Policy Iteration (PI) and Conservative PI (CPI), that retain tabular guarantees under function approximation. RPI uses a novel Bellman-constrained optimization for policy evaluation. We show that RPI restores the textbook \textit{monotonicity} of value estimates and that these estimates provably \textit{lower-bound} the true return; moreover, their limit partially satisfies the \textit{unprojected} Bellman equation. CRPI shares RPI's evaluation, but updates policies conservatively by maximizing a new performance-difference \textit{lower bound} that explicitly accounts for function-approximation-induced errors. CRPI inherits RPI's guarantees and, crucially, admits per-step improvement bounds. In initial simulations, RPI and CRPI outperform PI and its variants. Our work addresses a foundational gap in RL: popular algorithms such as TRPO and PPO derive from tabular CPI yet are deployed with function approximation, where CPI's guarantees often fail-leading to divergence, oscillations, or convergence to suboptimal policies. By restoring PI/CPI-style guarantees for \textit{arbitrary} function classes, RPI and CRPI provide a principled basis for next-generation RL.
Authors: Alessandro Licciardi, Davide Leo, Davide Carbone
Abstract: Federated Learning (FL) enables the training of machine learning models across decentralized clients while preserving data privacy. However, the presence of anomalous or corrupted clients - such as those with faulty sensors or non representative data distributions - can significantly degrade model performance. Detecting such clients without accessing raw data remains a key challenge. We propose WAFFLE (Wavelet and Fourier representations for Federated Learning) a detection algorithm that labels malicious clients {\it before training}, using locally computed compressed representations derived from either the Wavelet Scattering Transform (WST) or the Fourier Transform. Both approaches provide low-dimensional, task-agnostic embeddings suitable for unsupervised client separation. A lightweight detector, trained on a distillated public dataset, performs the labeling with minimal communication and computational overhead. While both transforms enable effective detection, WST offers theoretical advantages, such as non-invertibility and stability to local deformations, that make it particularly well-suited to federated scenarios. Experiments on benchmark datasets show that our method improves detection accuracy and downstream classification performance compared to existing FL anomaly detection algorithms, validating its effectiveness as a pre-training alternative to online detection strategies.
Authors: Moussa Koulako Bala Doumbouya, Dan Jurafsky, Christopher D. Manning
Abstract: Work in psychology has highlighted that the geometric model of similarity standard in deep learning is not psychologically plausible because its metric properties such as symmetry do not align with human perception of similarity. In contrast, Tversky (1977) proposed an axiomatic theory of similarity with psychological plausibility based on a representation of objects as sets of features, and their similarity as a function of their common and distinctive features. This model of similarity has not been used in deep learning before, in part because of the challenge of incorporating discrete set operations. In this paper, we develop a differentiable parameterization of Tversky's similarity that is learnable through gradient descent, and derive basic neural network building blocks such as the Tversky projection layer, which unlike the linear projection layer can model non-linear functions such as XOR. Through experiments with image recognition and language modeling neural networks, we show that the Tversky projection layer is a beneficial replacement for the linear projection layer. For instance, on the NABirds image classification task, a frozen ResNet-50 adapted with a Tversky projection layer achieves a 24.7% relative accuracy improvement over the linear layer adapter baseline. With Tversky projection layers, GPT-2's perplexity on PTB decreases by 7.8%, and its parameter count by 34.8%. Finally, we propose a unified interpretation of both types of projection layers as computing similarities of input stimuli to learned prototypes for which we also propose a novel visualization technique highlighting the interpretability of Tversky projection layers. Our work offers a new paradigm for thinking about the similarity model implicit in modern deep learning, and designing neural networks that are interpretable under an established theory of psychological similarity.
Authors: Nabil Omi, Siddhartha Sen, Ali Farhadi
Abstract: Sparse Mixture of Experts (MoE) models offer a scalable and efficient architecture for training large neural networks by activating only a subset of parameters ("experts") for each input. A learned router computes a distribution over these experts, and assigns input tokens to a small subset. However, without auxiliary balancing mechanisms, routers often converge to using only a few experts, severely limiting model capacity and degrading performance. Most current load balancing mechanisms encourage a distribution over experts that resembles a roughly uniform distribution of experts per token. During training, this can result in inconsistent routing behavior, resulting in the model spending its capacity to learn redundant knowledge. We address this by introducing a novel load balancing loss that preserves token-wise relational structure, encouraging consistent expert choices for similar inputs during training. Our experimental results show that applying our loss to the router results in 36% faster convergence and lower redundancy compared to a popular load balancing loss.
Authors: Minjae Lee, Yoonjae Jung, Sangdon Park
Abstract: Large language generative models increasingly interact with humans, while their falsified responses raise concerns. To mitigate this hallucination effect, selectively abstaining from answering, called selective generation, provides an effective way for generators to control the hallucination when uncertain about their answers. However, as selective generators interact under adversarial environments and receive partial feedback from users on selected generation (e.g., thumbs up or down on the selected answer), learning methods for selective generation under such practical setups are crucial but currently missing. To address this limitation, we propose an online learning algorithm for selective generation with partial feedback under an adaptive adversary. In particular, we re-purpose an adversarial bandit algorithm to design an online selective generation method with controllable false discovery rates (FDR), which measures the rate of hallucination. The key building blocks include a novel conversion lemma from regret of any bandit algorithm to the FDR, and the exploitation of a unique structure of selective generation to reuse partial feedback, which we call feedback unlocking. We empirically evaluate the efficacy of the proposed online selective generation algorithm with partial feedback over diverse learning environments, demonstrating its ability to control the FDR, while maintaining reasonable selection efficiency, i.e., the ratio of non-abstaining answers, compared to baselines.
Authors: Prithvi Raj
Abstract: Learning an energy-based model (EBM) in the latent space of a top-down generative model offers a versatile framework for generation across multiple data modalities. However, it remains unclear how its interpretability can be used to guide model design, improve generative quality, and reduce training time. Moreover, the reliance on Langevin Monte Carlo (LMC) sampling presents challenges in efficiency and sampling multimodal latent distributions. In this work, we propose a novel adaptation of the Kolmogorov-Arnold representation theorem for generative modeling and introduce the Thermodynamic Kolmogorov-Arnold Model (T-KAM) to take advantage of structural and inductive biases. By constraining the prior to univariate relationships, T-KAM enables fast and exact inference via the inverse transform method. With the low dimensionality of the latent space and suitable inductive biases encoded, we demonstrate that importance sampling (IS) becomes a viable, unbiased, and highly efficient posterior sampler. For situations where IS fails, we investigate a novel strategy using population-based LMC, which decomposes posterior sampling into a sequence of annealed distributions to improve multimodal sampling. T-KAM elegantly balances common trade-offs in generative modeling, offering fast inference, interpretability, and stable training, while being naturally suited to upcoming Zettascale Computing Corp. hardware.
Authors: Wang Yu-Hang, Liu ying, Fang liang, Wang Xuelin, Junkang Guo, Shiwei Li, Lei Gao, Jian Liu, Wenfei Yin
Abstract: Adversarial Training (AT) is a cornerstone defense, but many variants overlook foundational feature representations by primarily focusing on stronger attack generation. We introduce Adversarial Evolution Training (AET), a simple yet powerful framework that strategically prepends an Empirical Risk Minimization (ERM) phase to conventional AT. We hypothesize this initial ERM phase cultivates a favorable feature manifold, enabling more efficient and effective robustness acquisition. Empirically, AET achieves comparable or superior robustness more rapidly, improves clean accuracy, and cuts training costs by 8-25\%. Its effectiveness is shown across multiple datasets, architectures, and when augmenting established AT methods. Our findings underscore the impact of feature pre-conditioning via standard training for developing more efficient, principled robust defenses. Code is available in the supplementary material.
Authors: Zhenglin Lai, Mengyao Liao, Bingzhe Wu, Dong Xu, Zebin Zhao, Zhihang Yuan, Chao Fan, Jianqiang Li
Abstract: Large language models with Mixture-of-Experts (MoE) architectures achieve efficiency and scalability, yet their routing mechanisms introduce safety alignment challenges insufficiently addressed by techniques developed for dense models. In this work, the MoE-specific safety risk of positional vulnerability-that safety-aligned behaviors rely on specific expert modules-is formalized and systematically analyzed. An analytical framework, SAFEx, is presented to robustly identify, characterize, and validate safety-critical experts via a stability-based expert selection procedure, and to decompose them into two functional groups: the Harmful Content Detection Group (HCDG), which specializes in identifying and recognizing harmful content within user inputs, and the Harmful Response Control Group (HRCG), which specializes in controlling and enforcing model behaviors to generate appropriate safety responses. Expert-level interventions are conducted to probe causality and to test mitigation. Targeted masking of SAFEx-selected experts reveals that safety behavior is highly concentrated. On Qwen3-30B-A3B, configured with 48 MoE-FFN layers and 128 experts per layer under top-8 routing (48x128=6,144 experts in total), disabling 12 selected experts reduces the refusal rate by 22%. In addition, lightweight adaptation is performed using LoRA under three configurations-the HRCG, the union of HCDG and HRCG, and all experts-and the resulting updates are composed through negative weight merging targeted at the HRCG, leading to improved refusal under adversarial prompts without full-model retraining. These results establish positional vulnerability as a distinct MoE-specific safety challenge and provide a practical, compute-efficient pathway for expert-level safety interventions within routed architectures.
Authors: Wei Liu, Kiran Bacsa, Loon Ching Tang, Eleni Chatzi
Abstract: Understanding and modeling nonlinear dynamical systems is a fundamental challenge across science and engineering. Deep learning has shown remarkable potential for capturing complex system behavior, yet achieving models that are both accurate and physically interpretable remains difficult. To address this, we propose Structured Kolmogorov-Arnold Neural ODEs (SKANODEs), a framework that integrates structured state-space modeling with Kolmogorov-Arnold Networks (KANs). Within a Neural ODE architecture, SKANODE employs a fully trainable KAN as a universal function approximator to perform virtual sensing, recovering latent states that correspond to interpretable physical quantities such as displacements and velocities. Leveraging KAN's symbolic regression capability, SKANODE then extracts compact, interpretable expressions for the system's governing dynamics. Extensive experiments on simulated and real-world systems demonstrate that SKANODE achieves superior predictive accuracy, discovers physics-consistent dynamics, and reveals complex nonlinear behavior. Notably, it identifies hysteretic behavior in an F-16 aircraft and recovers a concise symbolic equation describing this phenomenon. SKANODE thus enables interpretable, data-driven discovery of physically grounded models for complex nonlinear dynamical systems.
Authors: Kin Kwan Leung, Rasa Hosseinzadeh, Gabriel Loaiza-Ganem
Abstract: The manifold hypothesis asserts that data of interest in high-dimensional ambient spaces, such as image data, lies on unknown low-dimensional submanifolds. Diffusion models (DMs) -- which operate by convolving data with progressively larger amounts of Gaussian noise and then learning to revert this process -- have risen to prominence as the most performant generative models, and are known to be able to learn distributions with low-dimensional support. For a given datum in one of these submanifolds, we should thus intuitively expect DMs to have implicitly learned its corresponding local intrinsic dimension (LID), i.e. the dimension of the submanifold it belongs to. Kamkari et al. (2024b) recently showed that this is indeed the case by linking this LID to the rate of change of the log marginal densities of the DM with respect to the amount of added noise, resulting in an LID estimator known as FLIPD. LID estimators such as FLIPD have a plethora of uses, among others they quantify the complexity of a given datum, and can be used to detect outliers, adversarial examples and AI-generated text. FLIPD achieves state-of-the-art performance at LID estimation, yet its theoretical underpinnings are incomplete since Kamkari et al. (2024b) only proved its correctness under the highly unrealistic assumption of affine submanifolds. In this work we bridge this gap by formally proving the correctness of FLIPD under realistic assumptions. Additionally, we show that an analogous result holds when Gaussian convolutions are replaced with uniform ones, and discuss the relevance of this result.
Authors: Erfan Hajihashemi, Yanning Shen
Abstract: Online conformal prediction has demonstrated its capability to construct a prediction set for each incoming data point that covers the true label with a predetermined probability. To cope with potential distribution shift, multi-model online conformal prediction has been introduced to select and leverage different models from a preselected candidate set. Along with the improved flexibility, the choice of the preselected set also brings challenges. A candidate set that includes a large number of models may increase the computational complexity. In addition, the inclusion of irrelevant models with poor performance may negatively impact the performance and lead to unnecessarily large prediction sets. To address these challenges, we propose a novel multi-model online conformal prediction algorithm that identifies a subset of effective models at each time step by collecting feedback from a bipartite graph, which is refined upon receiving new data. A model is then selected from this subset to construct the prediction set, resulting in reduced computational complexity and smaller prediction sets. Additionally, we demonstrate that using prediction set size as feedback, alongside model loss, can significantly improve efficiency by constructing smaller prediction sets while still satisfying the required coverage guarantee. The proposed algorithms are proven to ensure valid coverage and achieve sublinear regret. Experiments on real and synthetic datasets validate that the proposed methods construct smaller prediction sets and outperform existing multi-model online conformal prediction approaches.
Authors: Andrey Goncharov, Daniil Vyazhev, Petr Sychev, Edvard Khalafyan, Alexey Zaytsev
Abstract: General-purpose Large Language Models (LLMs) are frequently fine-tuned through supervised fine-tuning (SFT) to enhance performance in specific domains. Better results can be achieved by distilling the chain-of-thought of a larger model at the cost of numerous expensive calls and a much greater amount of data. We propose a novel blueprint for efficient fine-tuning that uses reasoning only for complex data identified by entropy. Specifically, across two small open models ($~3B$) we split the training data into complexity categories by a single token answer entropy (ROC AUC $0.73$), fine-tune large language models (LLMs) via SFT and distillation, and show that our pipeline significantly outperforms the standard SFT approach ($0.58$ vs $0.45$ average accuracy) and outperforms the distillation approach ($0.58$ vs $0.56$ average accuracy) while using $81%$ less data.
Authors: Xufei Lv, Kehai Chen, Haoyuan Sun, Xuefeng Bai, Min Zhang, Houde Liu, Kehai Chen
Abstract: Alignment of large language models (LLMs) with human values has recently garnered significant attention, with prominent examples including the canonical yet costly Reinforcement Learning from Human Feedback (RLHF) and the simple Direct Preference Optimization (DPO). In this work, we demonstrate that both RLHF and DPO can be interpreted from the perspective of mutual information (MI) maximization, uncovering a profound connection to contrastive learning. Within this framework, both RLHF and DPO can be interpreted as methods that performing contrastive learning based on the positive and negative samples derived from base model, leveraging the Donsker-Varadhan (DV) lower bound on MI (equivalently, the MINE estimator). Such paradigm further illuminates why RLHF may not intrinsically incentivize reasoning capacities in LLMs beyond what is already present in the base model. Building on the perspective, we replace the DV/MINE bound with the Jensen-Shannon (JS) MI estimator and propose the Mutual Information Optimization (MIO). Comprehensive theoretical analysis and extensive empirical evaluations demonstrate that MIO mitigates the late-stage decline in chosen-likelihood observed in DPO, achieving competitive or superior performance across various challenging reasoning and mathematical benchmarks.
Authors: Lijun Sheng, Jian Liang, Ran He, Zilei Wang, Tieniu Tan
Abstract: Test-time adaptation (TTA) methods have gained significant attention for enhancing the performance of vision-language models (VLMs) such as CLIP during inference, without requiring additional labeled data. However, current TTA researches generally suffer from major limitations such as duplication of baseline results, limited evaluation metrics, inconsistent experimental settings, and insufficient analysis. These problems hinder fair comparisons between TTA methods and make it difficult to assess their practical strengths and weaknesses. To address these challenges, we introduce TTA-VLM, a comprehensive benchmark for evaluating TTA methods on VLMs. Our benchmark implements 8 episodic TTA and 7 online TTA methods within a unified and reproducible framework, and evaluates them across 15 widely used datasets. Unlike prior studies focused solely on CLIP, we extend the evaluation to SigLIP--a model trained with a Sigmoid loss--and include training-time tuning methods such as CoOp, MaPLe, and TeCoA to assess generality. Beyond classification accuracy, TTA-VLM incorporates various evaluation metrics, including robustness, calibration, out-of-distribution detection, and stability, enabling a more holistic assessment of TTA methods. Through extensive experiments, we find that 1) existing TTA methods produce limited gains compared to the previous pioneering work; 2) current TTA methods exhibit poor collaboration with training-time fine-tuning methods; 3) accuracy gains frequently come at the cost of reduced model trustworthiness. We release TTA-VLM to provide fair comparison and comprehensive evaluation of TTA methods for VLMs, and we hope it encourages the community to develop more reliable and generalizable TTA strategies.
Authors: Yifan Sun, Yushan Liang, Zhen Zhang, Jiaye Teng
Abstract: Self-improvement is among the most prominent techniques within the realm of large language models (LLM), aiming to enhance the LLM performance without relying on external data. Despite its significance, generally how LLM performances evolve during the self-improvement process remains underexplored. In this paper, we theoretically model the training dynamics of self-improvement via the concept of solver-verifier gap. This is inspired by the conjecture that the performance enhancement of self-improvement stems from the gap between LLM's solver capability and verifier capability. Based on the theoretical framework, we further show how to model the entire training trajectory. This framework allows quantifying the capability limit of self-improvement by fitting the theoretical model to the experiment results. We empirically validate the effectiveness of the theoretical framework on various LLMs and datasets. Beyond self-improvement, we extend our analysis to investigate how external data influences these dynamics within the framework. Notably, we find that under limited external data regimes, such external data can be utilized at any stage without significantly affecting final performances, which accords with the empirical observations.
Authors: Tatsuki Kawakami, Kazuki Egashira, Atsuyuki Miyai, Go Irie, Kiyoharu Aizawa
Abstract: In recent years, unlearning techniques, which are methods for inducing a model to "forget" previously learned information, have attracted attention as a way to address privacy and copyright concerns in large language models (LLMs) and large multimodal models (LMMs). While several unlearning benchmarks have been established for LLMs, a practical evaluation framework for unlearning in LMMs has been less explored. Specifically, existing unlearning benchmark for LMMs considers only scenarios in which the model is required to unlearn fine-tuned knowledge through a single unlearning operation. In this study, we introduce PULSE protocol for realistic unlearning scenarios for LMMs by introducing two critical perspectives: (i) Pre-trained knowledge Unlearning for analyzing the effect across different knowledge acquisition phases and (ii) Long-term Sustainability Evaluation to address sequential requests. We then evaluate existing unlearning methods along these dimensions. Our results reveal that, although some techniques can successfully unlearn knowledge acquired through fine-tuning, they struggle to eliminate information learned during pre-training. Moreover, methods that effectively unlearn a batch of target data in a single operation exhibit substantial performance degradation when the same data are split and unlearned sequentially.
Authors: Yoav Gelberg (Moe), Yam Eitan (Moe), Aviv Navon (Moe), Aviv Shamsian (Moe), Theo (Moe), Putterman, Michael Bronstein, Haggai Maron
Abstract: Gradients of neural networks encode valuable information for optimization, editing, and analysis of models. Therefore, practitioners often treat gradients as inputs to task-specific algorithms, e.g. for pruning or optimization. Recent works explore learning algorithms that operate directly on gradients but use architectures that are not specifically designed for gradient processing, limiting their applicability. In this paper, we present a principled approach for designing architectures that process gradients. Our approach is guided by three principles: (1) equivariant design that preserves neuron permutation symmetries, (2) processing sets of gradients across multiple data points to capture curvature information, and (3) efficient gradient representation through rank-1 decomposition. Based on these principles, we introduce GradMetaNet, a novel architecture for learning on gradients, constructed from simple equivariant blocks. We prove universality results for GradMetaNet, and show that previous approaches cannot approximate natural gradient-based functions that GradMetaNet can. We then demonstrate GradMetaNet's effectiveness on a diverse set of gradient-based tasks on MLPs and transformers, such as learned optimization, INR editing, and estimating loss landscape curvature.
Authors: Ricardo Buitrago Ruiz, Albert Gu
Abstract: Recently, recurrent models such as state space models and linear attention have become popular due to their linear complexity in the sequence length. Thanks to their recurrent nature, in principle they can process arbitrarily long sequences, but their performance sometimes drops considerably beyond their training context lengths-i.e. they fail to length generalize. In this work, we provide comprehensive empirical and theoretical analysis to support the unexplored states hypothesis, which posits that models fail to length generalize when during training they are only exposed to a limited subset of the distribution of all attainable states (i.e. states that would be attained if the recurrence was applied to long sequences). Furthermore, we investigate simple training interventions that aim to increase the coverage of the states that the model is trained on, e.g. by initializing the state with Gaussian noise or with the final state of a different input sequence. With only 500 post-training steps ($\sim 0.1\%$ of the pre-training budget), these interventions enable length generalization for sequences that are orders of magnitude longer than the training context (e.g. $2k\longrightarrow 128k$) and show improved performance in long context tasks, thus presenting a simple and efficient way to enable robust length generalization in general recurrent models.
Authors: Guanhua Zhang, Ricardo Dominguez-Olmedo, Moritz Hardt
Abstract: Existing language model benchmarks provide contradictory model rankings, even for benchmarks that aim to capture similar skills. This dilemma of conflicting rankings hampers model selection, clouds model comparisons, and adds confusion to a growing ecosystem of competing models. In this paper, we take a different perspective on model comparison: instead of relying on out-of-the-box performance via direct evaluation, we compare model potential by providing each model with identical benchmark-specific fine-tuning before evaluation. We call this approach train-before-test. Our primary contribution is a comprehensive empirical evaluation of model potential across 24 benchmarks and 61 models. First, we demonstrate that model potential rankings obtained through train-before-test exhibit remarkable consistency across all benchmarks. Whereas traditional rankings demonstrate little external validity under direct evaluation, they enjoy a significant degree of external validity when applying train-before-test: model potential rankings transfer gracefully from one benchmark to another. Second, train-before-test restores the connection between perplexity and downstream task performance, lost under direct evaluation. Remarkably, even pre-finetuning perplexity of a base model predicts post-finetuning downstream performance, suggesting that ranking consistency reflects inherent model potential rather than fine-tuning artifacts. Finally, train-before-test reduces the model-score matrix to essentially rank one, indicating that model potential is dominated by one latent factor, uncovered by train-before-test. Our work supports the recommendation to make train-before-test a default component of LLM benchmarking.
Authors: Tongtian Zhu, Tianyu Zhang, Mingze Wang, Zhanpeng Zhou, Can Wang
Abstract: Decentralized learning provides a scalable alternative to parameter-server-based training, yet its performance is often hindered by limited peer-to-peer communication. In this paper, we study how communication should be scheduled over time to improve global generalization, including determining when and how frequently devices synchronize. Counterintuitive empirical results show that concentrating communication budgets in the later stages of decentralized training remarkably improves global generalization. Surprisingly, we uncover that fully connected communication at the final step, implemented by a single global merging, can significant improve the generalization performance of decentralized learning under serve high data heterogeneity. Our theoretical contributions, which explains these phenomena, are first to establish that the globally merged model of decentralized SGD can match the convergence rate of parallel SGD. Technically, we reinterpret part of the discrepancy among local models, which were previously considered as detrimental noise, as constructive components essential for matching this rate. This work provides promising results that decentralized learning is able to generalize under high data heterogeneity and limited communication, while offering broad new avenues for model merging research. The code will be made publicly available.
Authors: Sifan Wang, Shyam Sankaran, Xiantao Fan, Panos Stinis, Paris Perdikaris
Abstract: Turbulent fluid flows are among the most computationally demanding problems in science, requiring enormous computational resources that become prohibitive at high flow speeds. Physics-informed neural networks (PINNs) represent a radically different approach that trains neural networks directly from physical equations rather than data, offering the potential for continuous, mesh-free solutions. Here we show that appropriately designed PINNs can successfully simulate fully turbulent flows in both two and three dimensions, directly learning solutions to the fundamental fluid equations without traditional computational grids or training data. Our approach combines several algorithmic innovations including adaptive network architectures, causal training, and advanced optimization methods to overcome the inherent challenges of learning chaotic dynamics. Through rigorous validation on challenging turbulence problems, we demonstrate that PINNs accurately reproduce key flow statistics including energy spectra, kinetic energy, enstrophy, and Reynolds stresses. Our results demonstrate that neural equation solvers can handle complex chaotic systems, opening new possibilities for continuous turbulence modeling that transcends traditional computational limitations.
Authors: Chenyu Wang, Cai Zhou, Sharut Gupta, Zongyu Lin, Stefanie Jegelka, Stephen Bates, Tommi Jaakkola
Abstract: Diffusion models can be improved with additional guidance towards more effective representations of input. Indeed, prior empirical work has already shown that aligning internal representations of the diffusion model with those of pre-trained models improves generation quality. In this paper, we present a systematic framework for incorporating representation guidance into diffusion models. We provide alternative decompositions of denoising models along with their associated training criteria, where the decompositions determine when and how the auxiliary representations are incorporated. Guided by our theoretical insights, we introduce two new strategies for enhancing representation alignment in diffusion models. First, we pair examples with target representations either derived from themselves or arisen from different synthetic modalities, and subsequently learn a joint model over the multimodal pairs. Second, we design an optimal training curriculum that balances representation learning and data generation. Our experiments across image, protein sequence, and molecule generation tasks demonstrate superior performance as well as accelerated training. In particular, on the class-conditional ImageNet $256\times 256$ benchmark, our guidance results in $23.3$ times faster training than the original SiT-XL as well as four times speedup over the state-of-the-art method REPA. The code is available at https://github.com/ChenyuWang-Monica/REED.
Authors: Fei Zhao, Chonggang Lu, Yue Wang, Zheyong Xie, Ziyan Liu, Haofu Qian, JianZhao Huang, Fangcheng Shi, Zijie Meng, Hongcheng Guo, Mingqian He, Xinze Lyu, Yiming Lu, Ziyang Xiang, Zheyu Ye, Chengqiang Lu, Zhe Xu, Yi Wu, Yao Hu, Yan Gao, Jun Fan, Xiaolong Jiang, Weiting Liu, Boyang Wang, Shaosheng Cao
Abstract: As a primary medium for modern information dissemination, social networking services (SNS) have experienced rapid growth, which has proposed significant challenges for platform content management and interaction quality improvement. Recently, the development of large language models (LLMs) has offered potential solutions but existing studies focus on isolated tasks, which not only encounter diminishing benefit from the data scaling within individual scenarios but also fail to flexibly adapt to diverse real-world context. To address these challenges, we introduce RedOne, a domain-specific LLM designed to break the performance bottleneck of single-task baselines and establish a comprehensive foundation for the SNS. RedOne was developed through a three-stage training strategy consisting of continue pretraining, supervised fine-tuning, and preference optimization, using a large-scale real-world dataset. Through extensive experiments, RedOne maintains strong general capabilities, and achieves an average improvement up to 14.02% across 8 major SNS tasks and 7.56% in SNS bilingual evaluation benchmark, compared with base models. Furthermore, through online testing, RedOne reduced the exposure rate in harmful content detection by 11.23% and improved the click page rate in post-view search by 14.95% compared with single-tasks finetuned baseline models. These results establish RedOne as a robust domain-specific LLM for SNS, demonstrating excellent generalization across various tasks and promising applicability in real-world scenarios.
Authors: Steven Dillmann, Juan Rafael Mart\'inez-Galarza
Abstract: Event time series are sequences of discrete events occurring at irregular time intervals, each associated with a domain-specific observational modality. They are common in domains such as high-energy astrophysics, computational social science, cybersecurity, finance, healthcare, neuroscience, and seismology. Their unstructured and irregular structure poses significant challenges for extracting meaningful patterns and identifying salient phenomena using conventional techniques. We propose novel two- and three-dimensional tensor representations for event time series, coupled with sparse autoencoders that learn physically meaningful latent representations. These embeddings support a variety of downstream tasks, including anomaly detection, similarity-based retrieval, semantic clustering, and unsupervised classification. We demonstrate our approach on a real-world dataset from X-ray astronomy, showing that these representations successfully capture temporal and spectral signatures and isolate diverse classes of X-ray transients. Our framework offers a flexible, scalable, and generalizable solution for analyzing complex, irregular event time series across scientific and industrial domains.
Authors: Matteo Tusoni, Giuseppe Masi, Andrea Coletta, Aldo Glielmo, Viviana Arrigoni, Novella Bartolini
Abstract: Exploring causal relationships in stochastic time series is a challenging yet crucial task with a vast range of applications, including finance, economics, neuroscience, and climate science. Many algorithms for Causal Discovery (CD) have been proposed, but they often exhibit a high sensitivity to noise, resulting in misleading causal inferences when applied to real data. In this paper, we observe that the frequency spectra of typical real-world time series follow a power-law distribution, notably due to an inherent self-organizing behavior. Leveraging this insight, we build a robust CD method based on the extraction of power -law spectral features that amplify genuine causal signals. Our method consistently outperforms state-of-the-art alternatives on both synthetic benchmarks and real-world datasets with known causal structures, demonstrating its robustness and practical relevance.
Authors: Qian Xie, Linda Cai, Alexander Terenin, Peter I. Frazier, Ziv Scully
Abstract: In automated machine learning, scientific discovery, and other applications of Bayesian optimization, deciding when to stop evaluating expensive black-box functions is an important practical consideration. While several adaptive stopping rules have been proposed, in the cost-aware setting they lack guarantees ensuring they stop before incurring excessive function evaluation costs. We propose a cost-aware stopping rule for Bayesian optimization that adapts to varying evaluation costs and is free of heuristic tuning. Our rule is grounded in a theoretical connection to state-of-the-art cost-aware acquisition functions, namely the Pandora's Box Gittins Index (PBGI) and log expected improvement per cost. We prove a theoretical guarantee bounding the expected cumulative evaluation cost incurred by our stopping rule when paired with these two acquisition functions. In experiments on synthetic and empirical tasks, including hyperparameter optimization and neural architecture size search, we show that combining our stopping rule with the PBGI acquisition function usually matches or outperforms other acquisition-function--stopping-rule pairs in terms of cost-adjusted simple regret, a metric capturing trade-offs between solution quality and cumulative evaluation cost.
Authors: Yutong Liu, Cairong Zhao, Guosheng Hu
Abstract: For large language models (LLMs), post-training quantization (PTQ) can significantly reduce memory footprint and computational overhead. Model quantization is rapidly evolving. Though many papers report breakthrough results, they are often evaluated under different settings because a method typically contains multiple components. Analyzing connections among existing methods is important for deeper understanding. To bridge these gaps, we conduct an extensive review of state-of-the-art methods and perform comprehensive evaluations under the same conditions for fair comparison. To our knowledge, such a fair and extensive investigation remains critically underexplored. To better understand connections, first, we decouple published quantization methods into two steps: pre-quantization transformation and quantization error mitigation. The former is a preprocessing step that reduces outlier impact by flattening the data distribution; the latter offsets quantization errors to improve performance. Second, we evaluate and analyze the impact of different settings, including granularity and symmetry. Third, we analyze and evaluate the latest MXFP4 and NVFP4 data formats and their performance. Our experiments first demonstrate that optimized rotation and scaling yield the best pre-quantization performance, and that combining low-rank compensation with GPTQ can occasionally outperform GPTQ alone for error mitigation. Second, finer granularity improves performance but increases storage overhead. Third, we find that scaling-factor format and precision greatly affect FP4 performance, and that rotation-based strategies effective for INT4 offer limited gains for MXFP4 and NVFP4, motivating further study.
Authors: David Komnick, Kathrin Lammers, Barbara Hammer, Valerie Vaquet, Fabian Hinder
Abstract: In a world that constantly changes, it is crucial to understand how those changes impact different systems, such as industrial manufacturing or critical infrastructure. Explaining critical changes, referred to as concept drift in the field of machine learning, is the first step towards enabling targeted interventions to avoid or correct model failures, as well as malfunctions and errors in the physical world. Therefore, in this work, we extend model-based drift explanations towards causal explanations, which increases the actionability of the provided explanations. We evaluate our explanation strategy on a number of use cases, demonstrating the practical usefulness of our framework, which isolates the causally relevant features impacted by concept drift and, thus, allows for targeted intervention.
Authors: Xin Ding, Yun Chen, Yongwei Wang, Kao Zhang, Sen Zhang, Peibei Cao, Xiangxue Wang
Abstract: Recent advances in conditional generative modeling have introduced Continuous conditional Generative Adversarial Network (CcGAN) and Continuous Conditional Diffusion Model (CCDM) for estimating high-dimensional data distributions conditioned on scalar, continuous regression labels (e.g., angles, ages, or temperatures). However, these approaches face fundamental limitations: CcGAN suffers from data imbalance due to fixed-size vicinity constraints, while CCDM requires computationally expensive iterative sampling. To address these issues, we propose CcGAN-AVAR, an enhanced CcGAN framework featuring (1) two novel components for handling data imbalance - an adaptive vicinity mechanism that dynamically adjusts vicinity size and a multi-task discriminator that enhances generator training through auxiliary regression and density ratio estimation - and (2) the GAN framework's native one-step generator, enable 30x-2000x faster inference than CCDM. Extensive experiments on four benchmark datasets (64x64 to 256x256 resolution) across eleven challenging settings demonstrate that CcGAN-AVAR achieves state-of-the-art generation quality while maintaining sampling efficiency.
Authors: Alexander Golubev, Maria Trofimova, Sergei Polezhaev, Ibragim Badertdinov, Maksim Nekrashevich, Anton Shevtsov, Simon Karasik, Sergey Abramov, Andrei Andriushchenko, Filipp Fisin, Sergei Skvortsov, Boris Yangel
Abstract: Research on applications of reinforcement learning (RL) to large language models has mostly been focused on single-turn problems, such as mathematical reasoning or single-shot code generation. While these problems can be viewed as token-level multi-turn Markov decision processes (MDPs), this view corresponds to a degenerate case of multi-turn interaction where the environment provides no feedback. This contrasts with many real-world domains, such as software engineering (SWE), which require rich multi-turn interactions with a stateful environment that responds to each action with a non-trivial observation. To bridge this gap, we demonstrate the successful application of RL to this general regime. Our methodology begins with rejection fine-tuning (RFT) using execution feedback to train a policy to follow instructions and formatting effectively, followed by a synchronous RL pipeline using DAPO for iterative improvement. Applying this pipeline to Qwen2.5-72B-Instruct, we increase its Pass@1 on the SWE-bench Verified benchmark from 11% to 39%, substantially improving upon the 20% RFT baseline. On the May and June splits of SWE-rebench, the resulting agent achieves Pass@1 of 35% and 31% respectively, competitive with even larger models such as DeepSeek-V3-0324 or Qwen3-235B-A22B, demonstrating that our methodology offers a practical approach for training capable agents for multi-turn interactive tasks using open-weight models.
Authors: Advait Parulekar, Litu Rout, Karthikeyan Shanmugam, Sanjay Shakkottai
Abstract: We study the problem of posterior sampling in the context of score based generative models. We have a trained score network for a prior $p(x)$, a measurement model $p(y|x)$, and are tasked with sampling from the posterior $p(x|y)$. Prior work has shown this to be intractable in KL (in the worst case) under well-accepted computational hardness assumptions. Despite this, popular algorithms for tasks such as image super-resolution, stylization, and reconstruction enjoy empirical success. Rather than establishing distributional assumptions or restricted settings under which exact posterior sampling is tractable, we view this as a more general "tilting" problem of biasing a distribution towards a measurement. Under minimal assumptions, we show that one can tractably sample from a distribution that is simultaneously close to the posterior of a noised prior in KL divergence and the true posterior in Fisher divergence. Intuitively, this combination ensures that the resulting sample is consistent with both the measurement and the prior. To the best of our knowledge these are the first formal results for (approximate) posterior sampling in polynomial time.
Authors: Carlo Cena, Mauro Martini, Marcello Chiaberge
Abstract: Attitude control is a fundamental aspect of spacecraft operations. Model Predictive Control (MPC) has emerged as a powerful strategy for these tasks, relying on accurate models of the system dynamics to optimize control actions over a prediction horizon. In scenarios where physics models are incomplete, difficult to derive, or computationally expensive, machine learning offers a flexible alternative by learning the system behavior directly from data. However, purely data-driven models often struggle with generalization and stability, especially when applied to inputs outside their training domain. To address these limitations, we investigate the benefits of incorporating Physics-Informed Neural Networks (PINNs) into the learning of spacecraft attitude dynamics, comparing their performance with that of purely data-driven approaches. Using a Real-valued Non-Volume Preserving (Real NVP) neural network architecture with a self-attention mechanism, we trained several models on simulated data generated with the Basilisk simulator. Two training strategies were considered: a purely data-driven baseline and a physics-informed variant to improve robustness and stability. Our results demonstrate that the inclusion of physics-based information significantly enhances the performance in terms of the mean relative error of the best architectures found by 27.08%. These advantages are particularly evident when the learned models are integrated into an MPC framework, where PINN-based models consistently outperform their purely data-driven counterparts in terms of control accuracy and robustness, yielding improvements of up to 42.86% in performance stability error and increased robustness-to-noise.
Authors: Keke Gai, Dongjue Wang, Jing Yu, Liehuang Zhu, Qi Wu
Abstract: Defending backdoor attacks in Federated Learning (FL) under heterogeneous client data distributions encounters limitations balancing effectiveness and privacy-preserving, while most existing methods highly rely on the assumption of homogeneous client data distributions or the availability of a clean serve dataset. In this paper, we propose an FL backdoor defense framework, named CLIP-Fed, that utilizes the zero-shot learning capabilities of vision-language pre-training models. Our scheme overcomes the limitations of Non-IID imposed on defense effectiveness by integrating pre-aggregation and post-aggregation defense strategies. CLIP-Fed aligns the knowledge of the global model and CLIP on the augmented dataset using prototype contrastive loss and Kullback-Leibler divergence, so that class prototype deviations caused by backdoor samples are ensured and the correlation between trigger patterns and target labels is eliminated. In order to balance privacy-preserving and coverage enhancement of the dataset against diverse triggers, we further construct and augment the server dataset via using the multimodal large language model and frequency analysis without any client samples. Extensive experiments on representative datasets evidence the effectiveness of CLIP-Fed. Comparing to other existing methods, CLIP-Fed achieves an average reduction in Attack Success Rate, {\em i.e.}, 2.03\% on CIFAR-10 and 1.35\% on CIFAR-10-LT, while improving average Main Task Accuracy by 7.92\% and 0.48\%, respectively. Our codes are available at https://anonymous.4open.science/r/CLIP-Fed.
Authors: Shuqi Zi, Haitz S\'aez de Oc\'ariz Borde, Emma Rocheteau, Pietro Lio'
Abstract: Predicting a patient's length of stay (LOS) in the intensive care unit (ICU) is a critical task for hospital resource management, yet remains challenging due to the heterogeneous and irregularly sampled nature of electronic health records (EHRs). In this work, we propose S$^2$G-Net, a novel neural architecture that unifies state-space sequence modeling with multi-view Graph Neural Networks (GNNs) for ICU LOS prediction. The temporal path employs Mamba state-space models (SSMs) to capture patient trajectories, while the graph path leverages an optimized GraphGPS backbone, designed to integrate heterogeneous patient similarity graphs derived from diagnostic, administrative, and semantic features. Experiments on the large-scale MIMIC-IV cohort dataset show that S$^2$G-Net consistently outperforms sequence models (BiLSTM, Mamba, Transformer), graph models (classic GNNs, GraphGPS), and hybrid approaches across all primary metrics. Extensive ablation studies and interpretability analyses highlight the complementary contributions of each component of our architecture and underscore the importance of principled graph construction. These results demonstrate that S$^2$G-Net provides an effective and scalable solution for ICU LOS prediction with multi-modal clinical data. The code can be found at https://github.com/ShuqiZi1/S2G-Net.
Authors: Haozhe Jiang, Nika Haghtalab
Abstract: Given a trained neural network, can any specified output be generated by some input? Equivalently, does the network correspond to a function that is surjective? In generative models, surjectivity implies that any output, including harmful or undesirable content, can in principle be generated by the networks, raising concerns about model safety and jailbreak vulnerabilities. In this paper, we prove that many fundamental building blocks of modern neural architectures, such as networks with pre-layer normalization and linear-attention modules, are almost always surjective. As corollaries, widely used generative frameworks, including GPT-style transformers and diffusion models with deterministic ODE solvers, admit inverse mappings for arbitrary outputs. By studying surjectivity of these modern and commonly used neural architectures, we contribute a formalism that sheds light on their unavoidable vulnerability to a broad class of adversarial attacks.
Authors: Howard Dai, Nyambura Njenga, Hiren Madhu, Siddharth Viswanath, Ryan Pellico, Ian Adelstein, Smita Krishnaswamy
Abstract: The development of self-supervised graph pre-training methods is a crucial ingredient in recent efforts to design robust graph foundation models (GFMs). Structure-based pre-training methods are under-explored yet crucial for downstream applications which rely on underlying graph structure. In addition, pre-training traditional message passing GNNs to capture global and regional structure is often challenging due to the risk of oversmoothing as network depth increases. We address these gaps by proposing the Laplacian Eigenvector Learning Module (LELM), a novel pre-training module for graph neural networks (GNNs) based on predicting the low-frequency eigenvectors of the graph Laplacian. Moreover, LELM introduces a novel architecture that overcomes oversmoothing, allowing the GNN model to learn long-range interdependencies. Empirically, we show that models pre-trained via our framework outperform baseline models on downstream molecular property prediction tasks.
Authors: Erik M. Lintunen
Abstract: In self-supervised reinforcement learning (RL), one of the key challenges is learning a diverse set of skills to prepare agents for unknown future tasks. Despite impressive advances, scalability and evaluation remain prevalent issues. Regarding scalability, the search for meaningful skills can be obscured by high-dimensional feature spaces, where relevant features may vary across downstream task domains. For evaluating skill diversity, defining what constitutes "diversity" typically requires a hard commitment to a specific notion of what it means for skills to be diverse, potentially leading to inconsistencies in how skill diversity is understood, making results across different approaches hard to compare, and leaving many forms of diversity unexplored. To address these issues, we adopt a measure of sample diversity that translates ideas from ecology to machine learning -- the Vendi Score -- allowing the user to specify and evaluate any desired form of diversity. We demonstrate how this metric facilitates skill evaluation and introduce VendiRL, a unified framework for learning diversely diverse sets of skills. Given distinct similarity functions, VendiRL motivates distinct forms of diversity, which could support skill-diversity pretraining in new and richly interactive environments where optimising for various forms of diversity may be desirable.
Authors: Filippo Guerranti, Fabrizio Forte, Simon Geisler, Stephan G\"unnemann
Abstract: Modeling long-range interactions, the propagation of information across distant parts of a graph, is a central challenge in graph machine learning. Graph wavelets, inspired by multi-resolution signal processing, provide a principled way to capture both local and global structures. However, existing wavelet-based graph neural networks rely on finite-order polynomial approximations, which limit their receptive fields and hinder long-range propagation. We propose Long-Range Graph Wavelet Networks (LR-GWN), which decompose wavelet filters into complementary local and global components. Local aggregation is handled with efficient low-order polynomials, while long-range interactions are captured through a flexible spectral-domain parameterization. This hybrid design unifies short- and long-distance information flow within a principled wavelet framework. Experiments show that LR-GWN achieves state-of-the-art performance among wavelet-based methods on long-range benchmarks, while remaining competitive on short-range datasets.
Authors: Zhiyuan He, Xufang Luo, Yike Zhang, Yuqing Yang, Lili Qiu
Abstract: We propose VL Norm (Variance-reduced Length-dependent Normalization), a simple yet effective loss aggregation method tailored to the characteristic of dynamic generation lengths in Reinforcement Learning with Verifiable Rewards (RLVR). Recently, RLVR has demonstrated strong potential in improving the reasoning capabilities of large language models (LLMs), but a major challenge lies in the large variability of response lengths during training, which leads to high gradient variance and unstable optimization. Although previous methods such as GRPO, DAPO, and Dr. GRPO introduce different loss normalization terms to address this issue, they either produce biased estimates or still suffer from high gradient variance. By analyzing the effect of varying lengths on policy loss both theoretically and empirically, we reformulate the problem as finding a minimum-variance unbiased estimator. Our proposed VL Norm not only provides an unbiased estimate of the true policy loss but also minimizes gradient variance in theory. Besides, VL Norm is easy to implement with less than 10 lines of code change. Extensive experiments show that it consistently achieves superior results across different model sizes, maximum lengths, and tasks. When integrated into the state-of-the-art RL algorithm DAPO, it achieves up to 2.67x faster convergence on the CountDown task. Our code is public at https://github.com/zerolllin/Delta-L-Normalization.
Authors: Ho Ming Lee, Katrien Antonio, Benjamin Avanzi, Lorenzo Marchi, Rui Zhou
Abstract: Ensuring equitable treatment (fairness) across protected attributes (such as gender or ethnicity) is a critical issue in machine learning. Most existing literature focuses on binary classification, but achieving fairness in regression tasks-such as insurance pricing or hiring score assessments-is equally important. Moreover, anti-discrimination laws also apply to continuous attributes, such as age, for which many existing methods are not applicable. In practice, multiple protected attributes can exist simultaneously; however, methods targeting fairness across several attributes often overlook so-called "fairness gerrymandering", thereby ignoring disparities among intersectional subgroups (e.g., African-American women or Hispanic men). In this paper, we propose a distance covariance regularisation framework that mitigates the association between model predictions and protected attributes, in line with the fairness definition of demographic parity, and that captures both linear and nonlinear dependencies. To enhance applicability in the presence of multiple protected attributes, we extend our framework by incorporating two multivariate dependence measures based on distance covariance: the previously proposed joint distance covariance (JdCov) and our novel concatenated distance covariance (CCdCov), which effectively address fairness gerrymandering in both regression and classification tasks involving protected attributes of various types. We discuss and illustrate how to calibrate regularisation strength, including a method based on Jensen-Shannon divergence, which quantifies dissimilarities in prediction distributions across groups. We apply our framework to the COMPAS recidivism dataset and a large motor insurance claims dataset.
Authors: Gianlucca Zuin, Adriano Veloso
Abstract: Creating models from past observations and ensuring their effectiveness on new data is the essence of machine learning. However, selecting models that generalize well remains a challenging task. Related to this topic, the Rashomon Effect refers to cases where multiple models perform similarly well for a given learning problem. This often occurs in real-world scenarios, like the manufacturing process or medical diagnosis, where diverse patterns in data lead to multiple high-performing solutions. We propose the Rashomon Ensemble, a method that strategically selects models from these diverse high-performing solutions to improve generalization. By grouping models based on both their performance and explanations, we construct ensembles that maximize diversity while maintaining predictive accuracy. This selection ensures that each model covers a distinct region of the solution space, making the ensemble more robust to distribution shifts and variations in unseen data. We validate our approach on both open and proprietary collaborative real-world datasets, demonstrating up to 0.20+ AUROC improvements in scenarios where the Rashomon ratio is large. Additionally, we demonstrate tangible benefits for businesses in various real-world applications, highlighting the robustness, practicality, and effectiveness of our approach.
Authors: Hanyi Mao, Quanjia Xiao, Lei Pang, Haixiao Liu
Abstract: We propose FSPO (Fair Sequence Policy Optimization), a sequence-level reinforcement learning method for LLMs that enforces length-fair clipping on the importance-sampling (IS) weight. We study RL methods with sequence-level IS and identify a mismatch when PPO/GRPO-style clipping is transplanted to sequences: a fixed clip range systematically reweights short vs. long responses, distorting the optimization direction. FSPO introduces a simple remedy: we clip the sequence log-IS ratio with a band that scales as $\sqrt{L}$. Theoretically, we formalize length fairness via a Length Reweighting Error (LRE) and prove that small LRE yields a cosine directional guarantee between the clipped and true updates. Empirically, FSPO flattens clip rates across length bins, stabilizes training, and outperforms baselines across model sizes and evaluation datasets, with the largest gains on the Qwen3-8B-Base model.
Authors: Daniel Agyapong, Briana H. Beatty, Peter G. Kennedy, Toby D. Hocking
Abstract: Co-occurrence network inference algorithms have significantly advanced our understanding of microbiome communities. However, these algorithms typically analyze microbial associations within samples collected from a single environmental niche, often capturing only static snapshots rather than dynamic microbial processes. Previous studies have commonly grouped samples from different environmental niches together without fully considering how microbial communities adapt their associations when faced with varying ecological conditions. Our study addresses this limitation by explicitly investigating both spatial and temporal dynamics of microbial communities. We analyzed publicly available microbiome abundance data across multiple locations and time points, to evaluate algorithm performance in predicting microbial associations using our proposed Same-All Cross-validation (SAC) framework. SAC evaluates algorithms in two distinct scenarios: training and testing within the same environmental niche (Same), and training and testing on combined data from multiple environmental niches (All). To overcome the limitations of conventional algorithms, we propose fuser, an algorithm that, while not entirely new in machine learning, is novel for microbiome community network inference. It retains subsample-specific signals while simultaneously sharing relevant information across environments during training. Unlike standard approaches that infer a single generalized network from combined data, fuser generates distinct, environment-specific predictive networks. Our results demonstrate that fuser achieves comparable predictive performance to existing algorithms such as glmnet when evaluated within homogeneous environments (Same), and notably reduces test error compared to baseline algorithms in cross-environment (All) scenarios.
Authors: Rabeya Tus Sadia, Qiang Cheng
Abstract: Predicting the success of start-up companies, defined as achieving an exit through acquisition or IPO, is a critical problem in entrepreneurship and innovation research. Datasets such as Crunchbase provide both structured information (e.g., funding rounds, industries, investor networks) and unstructured text (e.g., company descriptions), but effectively leveraging this heterogeneous data for prediction remains challenging. Traditional machine learning approaches often rely only on structured features and achieve moderate accuracy, while large language models (LLMs) offer rich reasoning abilities but struggle to adapt directly to domain-specific business data. We present \textbf{CrunchLLM}, a domain-adapted LLM framework for startup success prediction. CrunchLLM integrates structured company attributes with unstructured textual narratives and applies parameter-efficient fine-tuning strategies alongside prompt optimization to specialize foundation models for entrepreneurship data. Our approach achieves accuracy exceeding 80\% on Crunchbase startup success prediction, significantly outperforming traditional classifiers and baseline LLMs. Beyond predictive performance, CrunchLLM provides interpretable reasoning traces that justify its predictions, enhancing transparency and trustworthiness for financial and policy decision makers. This work demonstrates how adapting LLMs with domain-aware fine-tuning and structured--unstructured data fusion can advance predictive modeling of entrepreneurial outcomes. CrunchLLM contributes a methodological framework and a practical tool for data-driven decision making in venture capital and innovation policy.
Authors: Faizul Rakib Sayem, Shahana Ibrahim
Abstract: The reliability of artificial intelligence (AI) systems in open-world settings depends heavily on their ability to flag out-of-distribution (OOD) inputs unseen during training. Recent advances in large-scale vision-language models (VLMs) have enabled promising few-shot OOD detection frameworks using only a handful of in-distribution (ID) samples. However, existing prompt learning-based OOD methods rely solely on softmax probabilities, overlooking the rich discriminative potential of the feature embeddings learned by VLMs trained on millions of samples. To address this limitation, we propose a novel context optimization (CoOp)-based framework that integrates subspace representation learning with prompt tuning. Our approach improves ID-OOD separability by projecting the ID features into a subspace spanned by prompt vectors, while projecting ID-irrelevant features into an orthogonal null space. To train such OOD detection framework, we design an easy-to-handle end-to-end learning criterion that ensures strong OOD detection performance as well as high ID classification accuracy. Experiments on real-world datasets showcase the effectiveness of our approach.
Authors: Zhanting Zhou, KaHou Tam, Zeqin Wu, Pengzhao Sun, Jinbo Wang, Fengli Zhang
Abstract: Federated Graph Learning (FGL) under domain skew -- as observed on platforms such as \emph{Twitch Gamers} and multilingual \emph{Wikipedia} networks -- drives client models toward incompatible representations, rendering naive aggregation both unstable and ineffective. We find that the culprit is not the weighting scheme but the \emph{noisy gradient signal}: empirical analysis of baseline methods suggests that a vast majority of gradient dimensions can be dominated by domain-specific variance. We therefore shift focus from "aggregation-first" to a \emph{projection-first} strategy that denoises client updates \emph{before} they are combined. The proposed FedIA framework realises this \underline{I}mportance-\underline{A}ware idea through a two-stage, plug-and-play pipeline: (i) a server-side top-$\rho$ mask keeps only the most informative about 5% of coordinates, and (ii) a lightweight influence-regularised momentum weight suppresses outlier clients. FedIA adds \emph{no extra uplink traffic and only negligible server memory}, making it readily deployable. On both homogeneous (Twitch Gamers) and heterogeneous (Wikipedia) graphs, it yields smoother, more stable convergence and higher final accuracy than nine strong baselines. A convergence sketch further shows that dynamic projection maintains the optimal $\mathcal{O}(\sigma^{2}/\sqrt{T})$ rate.
Authors: Xiaozhou Tan, Minghui Zhao, Anton Ragni
Abstract: Diffusion models have attracted a lot of attention in recent years. These models view speech generation as a continuous-time process. For efficient training, this process is typically restricted to additive Gaussian noising, which is limiting. For inference, the time is typically discretized, leading to the mismatch between continuous training and discrete sampling conditions. Recently proposed discrete-time processes, on the other hand, usually do not have these limitations, may require substantially fewer inference steps, and are fully consistent between training/inference conditions. This paper explores some diffusion-like discrete-time processes and proposes some new variants. These include processes applying additive Gaussian noise, multiplicative Gaussian noise, blurring noise and a mixture of blurring and Gaussian noises. The experimental results suggest that discrete-time processes offer comparable subjective and objective speech quality to their widely popular continuous counterpart, with more efficient and consistent training and inference schemas.
Authors: Yuxiang Ji, Ziyu Ma, Yong Wang, Guanhua Chen, Xiangxiang Chu, Liaoni Wu
Abstract: Recent advances in reinforcement learning (RL) have significantly enhanced the agentic capabilities of large language models (LLMs). In long-term and multi-turn agent tasks, existing approaches driven solely by outcome rewards often suffer from the problem of sparse supervision. To address the challenge, we propose Tree-based Group Relative Policy Optimization (Tree-GRPO), a grouped agent RL method based on tree search, where each tree node represents the complete agent interaction step. By sharing common prefixes, the tree search sampling increases the number of rollouts achievable within a fixed budget of tokens or tool calls. Moreover, we find that the tree-structured trajectory naturally allows the construction of step-wise process supervised signals even using only the outcome reward. Based on this, Tree-GRPO estimates the grouped relative advantages both on intra-tree and inter-tree levels. Through theoretical analysis, we demonstrate that the objective of intra-tree level group relative policy optimization is equivalent to that of step-level direct preference learning. Experiments across 11 datasets and 3 types of QA tasks demonstrate the superiority of the proposed tree-based RL over the chain-based RL method.
Authors: Xinyu Liu, Bei Li, Jiahao Liu, Junhao Ruan, Kechen Jiao, Hongyin Tang, Jingang Wang, Xiao Tong, Jingbo Zhu
Abstract: High-order numerical methods enhance Transformer performance in tasks like NLP and CV, but introduce a performance-efficiency trade-off due to increased computational overhead. Our analysis reveals that conventional efficiency techniques, such as distillation, can be detrimental to the performance of these models, exemplified by PCformer. To explore more optimizable ODE-based Transformer architectures, we propose the Iterative Implicit Euler Transformer (IIET), which simplifies high-order methods using an iterative implicit Euler approach. This simplification not only leads to superior performance but also facilitates model compression compared to PCformer. To enhance inference efficiency, we introduce Iteration Influence-Aware Distillation (IIAD). Through a flexible threshold, IIAD allows users to effectively balance the performance-efficiency trade-off. On lm-evaluation-harness, IIET boosts average accuracy by 2.65% over vanilla Transformers and 0.8% over PCformer. Its efficient variant, E-IIET, significantly cuts inference overhead by 55% while retaining 99.4% of the original task accuracy. Moreover, the most efficient IIET variant achieves an average performance gain exceeding 1.6% over vanilla Transformer with comparable speed.
Authors: Yang Chen, Menglin Zou, Jiaqi Zhang, Yitan Zhang, Junyi Yang, Gael Gendron, Libo Zhang, Jiamou Liu, Michael J. Witbrock
Abstract: Inverse Reinforcement Learning (IRL) learns a reward function to explain expert demonstrations. Modern IRL methods often use the adversarial (minimax) formulation that alternates between reward and policy optimization, which often lead to unstable training. Recent non-adversarial IRL approaches improve stability by jointly learning reward and policy via energy-based formulations but lack formal guarantees. This work bridges this gap. We first present a unified view showing canonical non-adversarial methods explicitly or implicitly maximize the likelihood of expert behavior, which is equivalent to minimizing the expected return gap. This insight leads to our main contribution: Trust Region Reward Optimization (TRRO), a framework that guarantees monotonic improvement in this likelihood via a Minorization-Maximization process. We instantiate TRRO into Proximal Inverse Reward Optimization (PIRO), a practical and stable IRL algorithm. Theoretically, TRRO provides the IRL counterpart to the stability guarantees of Trust Region Policy Optimization (TRPO) in forward RL. Empirically, PIRO matches or surpasses state-of-the-art baselines in reward recovery, policy imitation with high sample efficiency on MuJoCo and Gym-Robotics benchmarks and a real-world animal behavior modeling task.
Authors: Xi Ding, Lei Wang, Piotr Koniusz, Yongsheng Gao
Abstract: We propose Graph Consistency Regularization (GCR), a novel framework that injects relational graph structures, derived from model predictions, into the learning process to promote class-aware, semantically meaningful feature representations. Functioning as a form of self-prompting, GCR enables the model to refine its internal structure using its own outputs. While deep networks learn rich representations, these often capture noisy inter-class similarities that contradict the model's predicted semantics. GCR addresses this issue by introducing parameter-free Graph Consistency Layers (GCLs) at arbitrary depths. Each GCL builds a batch-level feature similarity graph and aligns it with a global, class-aware masked prediction graph, derived by modulating softmax prediction similarities with intra-class indicators. This alignment enforces that feature-level relationships reflect class-consistent prediction behavior, acting as a semantic regularizer throughout the network. Unlike prior work, GCR introduces a multi-layer, cross-space graph alignment mechanism with adaptive weighting, where layer importance is learned from graph discrepancy magnitudes. This allows the model to prioritize semantically reliable layers and suppress noisy ones, enhancing feature quality without modifying the architecture or training procedure. GCR is model-agnostic, lightweight, and improves semantic structure across various networks and datasets. Experiments show that GCR promotes cleaner feature structure, stronger intra-class cohesion, and improved generalization, offering a new perspective on learning from prediction structure. [Project website](https://darcyddx.github.io/gcr/) [Code](https://github.com/Darcyddx/graph-prompt)
URLs: https://darcyddx.github.io/gcr/), https://github.com/Darcyddx/graph-prompt)
Authors: Jonas H\"ubotter, Patrik Wolf, Alexander Shevchenko, Dennis J\"uni, Andreas Krause, Gil Kur
Abstract: Recent empirical studies have explored the idea of continuing to train a model at test-time for a given task, known as test-time training (TTT), and have found it to yield significant performance improvements. However, there is limited understanding of why and when TTT is effective. Earlier explanations mostly focused on the observation that TTT may help when applied to out-of-distribution adaptation or used with privileged data. However, the growing scale of foundation models with most test data being in-distribution questions these explanations. We instead posit that foundation models remain globally underparameterized, with TTT providing a mechanism for specialization after generalization, focusing capacity on concepts relevant to the test task. Specifically, under the linear representation hypothesis, we propose a model in which TTT achieves a substantially smaller in-distribution test error than global training. We empirically validate our model's key assumptions by training a sparse autoencoder on ImageNet, showing that semantically related data points are explained by only a few shared concepts. Finally, we perform scaling studies across image and language tasks that confirm the practical implications of our model, identifying the regimes where specialization is most effective.
Authors: David Gonz\'alez-Mart\'inez
Abstract: Neural network compression techniques typically require expensive fine-tuning or search procedures, rendering them impractical on commodity hardware. Inspired by recent LLM compression research, we present a general activation-aware factorization framework that can be applied to a broad range of layers. Moreover, we introduce a scalable budgeted rank allocator that allows flexible control over compression targets (e.g., retaining 50% of parameters) with no overhead. Together, these components form BALF, an efficient pipeline for compressing models without fine-tuning. We demonstrate its effectiveness across multiple scales and architectures, from ResNet-20 on CIFAR-10 to ResNeXt-101 and vision transformers on ImageNet, and show that it achieves excellent results in the fine-tuning-free regime. For instance, BALF reduces FLOPs on ResNeXt-101 by 45% with only a 1-percentage-point top-1 accuracy drop.
Authors: Yifang Zhang, Pengfei Duan, Henan Wang, Wenjie Yin, Chen Zhou, Shengwu Xiong
Abstract: Rainfall nowcasting, which aims to predict precipitation within the next 0 to 3 hours, is critical for disaster mitigation and real-time response planning. However, most time series forecasting benchmarks in meteorology are evaluated on variables with strong periodicity, such as temperature and humidity, which fail to reflect model capabilities in more complex and practically meteorology scenarios like rainfall nowcasting. To address this gap, we propose RainfallBench, a benchmark designed for rainfall nowcasting, a highly challenging and practically relevant task characterized by zero inflation, temporal decay, and non-stationarity, focused on predicting precipitation within the next 0 to 3 hours. The dataset is derived from five years of meteorological observations, recorded at 15-minute intervals across six essential variables, and collected from more than 12,000 GNSS stations globally. In particular, it incorporates precipitable water vapor (PWV), a crucial indicator of rainfall that is absent in other datasets. We further design specialized evaluation strategies to assess model performance on key meteorological challenges, such as multi-scale prediction and extreme rainfall events, and evaluate over 20 state-of-the-art models across six major architectures on RainfallBench. Additionally, to address the zero-inflation and temporal decay issues overlooked by existing models, we introduce Bi-Focus Precipitation Forecaster (BFPF), a plug-and-play module that incorporates domain-specific priors to enhance rainfall time series forecasting. Statistical analysis and ablation studies validate the comprehensiveness of our dataset as well as the superiority of our methodology. Code and datasets are available at https://anonymous.4open.science/r/RainfallBench-A710.
Authors: Shenao Zhang, Donghan Yu, Yihao Feng, Bowen Jin, Zhaoran Wang, John Peebles, Zirui Wang
Abstract: Large language models excel with reinforcement learning (RL), but fully unlocking this potential requires a mid-training stage. An effective mid-training phase should identify a compact set of useful actions and enable fast selection among them through online RL. We formalize this intuition by presenting the first theoretical result on how mid-training shapes post-training: it characterizes an action subspace that minimizes both the value approximation error from pruning and the RL error during subsequent planning. Our analysis reveals two key determinants of mid-training effectiveness: pruning efficiency, which shapes the prior of the initial RL policy, and its impact on RL convergence, which governs the extent to which that policy can be improved via online interactions. These results suggest that mid-training is most effective when the decision space is compact and the effective horizon is short, highlighting the importance of operating in the space of action abstractions rather than primitive actions. Building on these insights, we propose Reasoning as Action Abstractions (RA3), a scalable mid-training algorithm. Specifically, we derive a sequential variational lower bound and optimize it by iteratively discovering temporally-consistent latent structures via RL, followed by fine-tuning on the bootstrapped data. Experiments on code generation tasks demonstrate the effectiveness of our approach. Across multiple base models, RA3 improves the average performance on HumanEval and MBPP by 8 and 4 points over the base model and the next-token prediction baseline. Furthermore, RA3 achieves faster convergence and higher asymptotic performance in RLVR on HumanEval+, MBPP+, LiveCodeBench, and Codeforces.
Authors: Jing Wang, Wonho Bae, Jiahong Chen, Wenxu Wang, Junhyug Noh
Abstract: Recent work on latent diffusion models (LDMs) has focused almost exclusively on generative tasks, leaving their potential for discriminative transfer largely unexplored. We introduce Discriminative Vicinity Diffusion (DVD), a novel LDM-based framework for a more practical variant of source-free domain adaptation (SFDA): the source provider may share not only a pre-trained classifier but also an auxiliary latent diffusion module, trained once on the source data and never exposing raw source samples. DVD encodes each source feature's label information into its latent vicinity by fitting a Gaussian prior over its k-nearest neighbors and training the diffusion network to drift noisy samples back to label-consistent representations. During adaptation, we sample from each target feature's latent vicinity, apply the frozen diffusion module to generate source-like cues, and use a simple InfoNCE loss to align the target encoder to these cues, explicitly transferring decision boundaries without source access. Across standard SFDA benchmarks, DVD outperforms state-of-the-art methods. We further show that the same latent diffusion module enhances the source classifier's accuracy on in-domain data and boosts performance in supervised classification and domain generalization experiments. DVD thus reinterprets LDMs as practical, privacy-preserving bridges for explicit knowledge transfer, addressing a core challenge in source-free domain adaptation that prior methods have yet to solve.
Authors: Yicheng Lang, Yihua Zhang, Chongyu Fan, Changsheng Wang, Jinghan Jia, Sijia Liu
Abstract: Large language model (LLM) unlearning aims to surgically remove the influence of undesired data or knowledge from an existing model while preserving its utility on unrelated tasks. This paradigm has shown promise in addressing privacy and safety concerns. However, recent findings reveal that unlearning effects are often fragile: post-unlearning manipulations such as weight quantization or fine-tuning can quickly neutralize the intended forgetting. Prior efforts to improve robustness primarily reformulate unlearning objectives by explicitly assuming the role of vulnerability sources. In this work, we take a different perspective by investigating the role of the optimizer, independent of unlearning objectives and formulations, in shaping unlearning robustness. We show that the 'grade' of the optimizer, defined by the level of information it exploits, ranging from zeroth-order (gradient-free) to first-order (gradient-based) to second-order (Hessian-based), is tightly linked to the resilience of unlearning. Surprisingly, we find that downgrading the optimizer, such as using zeroth-order methods or compressed-gradient variants (e.g., gradient sign-based optimizers), often leads to stronger robustness. While these optimizers produce noisier and less precise updates, they encourage convergence to harder-to-disturb basins in the loss landscape, thereby resisting post-training perturbations. By connecting zeroth-order methods with randomized smoothing, we further highlight their natural advantage for robust unlearning. Motivated by these insights, we propose a hybrid optimizer that combines first-order and zeroth-order updates, preserving unlearning efficacy while enhancing robustness. Extensive experiments on the MUSE and WMDP benchmarks, across multiple LLM unlearning algorithms, validate that our approach achieves more resilient forgetting without sacrificing unlearning quality.
Authors: Runyu Lu, Shiqi He, Wenxuan Tan, Shenggui Li, Ruofan Wu, Jeff J. Ma, Ang Chen, Mosharaf Chowdhury
Abstract: Diffusion Transformer (DiT) models excel at generating highquality images through iterative denoising steps, but serving them under strict Service Level Objectives (SLOs) is challenging due to their high computational cost, particularly at large resolutions. Existing serving systems use fixed degree sequence parallelism, which is inefficient for heterogeneous workloads with mixed resolutions and deadlines, leading to poor GPU utilization and low SLO attainment. In this paper, we propose step-level sequence parallelism to dynamically adjust the parallel degree of individual requests according to their deadlines. We present TetriServe, a DiT serving system that implements this strategy for highly efficient image generation. Specifically, TetriServe introduces a novel round-based scheduling mechanism that improves SLO attainment: (1) discretizing time into fixed rounds to make deadline-aware scheduling tractable, (2) adapting parallelism at the step level and minimize GPU hour consumption, and (3) jointly packing requests to minimize late completions. Extensive evaluation on state-of-the-art DiT models shows that TetriServe achieves up to 32% higher SLO attainment compared to existing solutions without degrading image quality.
Authors: Runqian Wang, Yilun Du
Abstract: We introduce Equilibrium Matching (EqM), a generative modeling framework built from an equilibrium dynamics perspective. EqM discards the non-equilibrium, time-conditional dynamics in traditional diffusion and flow-based generative models and instead learns the equilibrium gradient of an implicit energy landscape. Through this approach, we can adopt an optimization-based sampling process at inference time, where samples are obtained by gradient descent on the learned landscape with adjustable step sizes, adaptive optimizers, and adaptive compute. EqM surpasses the generation performance of diffusion/flow models empirically, achieving an FID of 1.90 on ImageNet 256$\times$256. EqM is also theoretically justified to learn and sample from the data manifold. Beyond generation, EqM is a flexible framework that naturally handles tasks including partially noised image denoising, OOD detection, and image composition. By replacing time-conditional velocities with a unified equilibrium landscape, EqM offers a tighter bridge between flow and energy-based models and a simple route to optimization-driven inference.
Authors: Nicholas LaHaye, Kelly M. Luis, Michelle M. Gierach
Abstract: We present a self-supervised machine learning framework for detecting and mapping harmful algal bloom (HAB) severity and speciation using multi-sensor satellite data. By fusing reflectance data from operational instruments (VIIRS, MODIS, Sentinel-3, PACE) with TROPOMI solar-induced fluorescence (SIF), our framework, called SIT-FUSE, generates HAB severity and speciation products without requiring per-instrument labeled datasets. The framework employs self-supervised representation learning, hierarchical deep clustering to segment phytoplankton concentrations and speciations into interpretable classes, validated against in-situ data from the Gulf of Mexico and Southern California (2018-2025). Results show strong agreement with total phytoplankton, Karenia brevis, Alexandrium spp., and Pseudo-nitzschia spp. measurements. This work advances scalable HAB monitoring in label-scarce environments while enabling exploratory analysis via hierarchical embeddings: a critical step toward operationalizing self-supervised learning for global aquatic biogeochemistry.
Authors: Hugo Ninou, Jonathan Kadmon, N. Alex Cayco-Gajic
Abstract: Gradient-based algorithms are a cornerstone of artificial neural network training, yet it remains unclear whether biological neural networks use similar gradient-based strategies during learning. Experiments often discover a diversity of synaptic plasticity rules, but whether these amount to an approximation to gradient descent is unclear. Here we investigate a previously overlooked possibility: that learning dynamics may include fundamentally non-gradient "curl"-like components while still being able to effectively optimize a loss function. Curl terms naturally emerge in networks with inhibitory-excitatory connectivity or Hebbian/anti-Hebbian plasticity, resulting in learning dynamics that cannot be framed as gradient descent on any objective. To investigate the impact of these curl terms, we analyze feedforward networks within an analytically tractable student-teacher framework, systematically introducing non-gradient dynamics through neurons exhibiting rule-flipped plasticity. Small curl terms preserve the stability of the original solution manifold, resulting in learning dynamics similar to gradient descent. Beyond a critical value, strong curl terms destabilize the solution manifold. Depending on the network architecture, this loss of stability can lead to chaotic learning dynamics that destroy performance. In other cases, the curl terms can counterintuitively speed learning compared to gradient descent by allowing the weight dynamics to escape saddles by temporarily ascending the loss. Our results identify specific architectures capable of supporting robust learning via diverse learning rules, providing an important counterpoint to normative theories of gradient-based learning in neural networks.
Authors: Flavio Giorgi, Matteo Silvestri, Cesare Campagnano, Fabrizio Silvestri, Gabriele Tolomei
Abstract: Explainable Artificial Intelligence has become a crucial area of research, aiming to demystify the decision-making processes of deep learning models. Among various explainability techniques, counterfactual explanations have been proven particularly promising, as they offer insights into model behavior by highlighting minimal changes that would alter a prediction. Despite their potential, these explanations are often complex and technical, making them difficult for non-experts to interpret. To address this challenge, we propose a novel pipeline that leverages Language Models, large and small, to compose narratives for counterfactual explanations. We employ knowledge distillation techniques along with a refining mechanism to enable Small Language Models to perform comparably to their larger counterparts while maintaining robust reasoning abilities. In addition, we introduce a simple but effective evaluation method to assess natural language narratives, designed to verify whether the models' responses are in line with the factual, counterfactual ground truth. As a result, our proposed pipeline enhances both the reasoning capabilities and practical performance of student models, making them more suitable for real-world use cases.
Authors: Yukun Zhang, Xueqing Zhou
Abstract: We propose PDE-Transformer, a novel sequence modeling paradigm that casts the forward pass of a Transformer as the numerical discretization of a continuous reaction-diffusion system derived from a variational energy functional. In our framework, token embeddings evolve under a partial differential equation whose nonlocal integral term models self-attention, local reaction term models feed-forward layers, diffusion term encodes positional smoothing, and a stability control term corresponds to layer normalization. From this unifying perspective, we design an Adaptive PDE Diffusion Layer-an efficient, learnable finite-difference stencil that enforces local smoothness in feature space with linear time complexity and complements self-attention's global routing. Through a systematic theoretical analysis based on four pillars:stability, diffusion geometry, multi-scale dynamics, and component coupling, we derive principled guidelines for integrating the PDE layer at seven candidate points in the Transformer. Empirically, on the Long Range Arena benchmark, placing the layer immediately after embedding yields a 4.1 pp average accuracy gain over a strong baseline, and an adaptive multi-scale variant delivers further improvements. Our work thus offers a principled, lightweight mechanism to bolster long-range dependency modeling by harmonizing continuous PDE smoothing with discrete self-attention.
Authors: Wenlong Deng, Yi Ren, Yushu Li, Boying Gong, Danica J. Sutherland, Xiaoxiao Li, Christos Thrampoulidis
Abstract: Reinforcement learning with verifiable rewards has significantly advanced the reasoning capabilities of large language models, yet how to explicitly steer training toward exploration or exploitation remains an open problem. We introduce Token Hidden Reward (THR), a token-level metric that quantifies each token's influence on the likelihood of correct responses under Group Relative Policy Optimization (GRPO). We find that training dynamics are dominated by a small subset of tokens with high absolute THR values. Most interestingly, tokens with positive THR strengthen confidence in correct outputs, thus favoring exploitation, while tokens with negative THR preserve probability mass for alternative outputs, enabling exploration. This insight suggests a natural intervention: a THR-guided reweighting algorithm that modulates GRPO's learning signals to explicitly bias training toward exploitation or exploration. We validate the efficacy of this algorithm on diverse math reasoning benchmarks. By amplifying tokens with positive THR value and weakening negative ones, our algorithm improves greedy-decoding accuracy, favoring exploitation. The reverse strategy yields consistent gains in Pass@K accuracy, favoring exploration. We further demonstrate that our algorithm integrates seamlessly with other RL objectives such as GSPO and generalizes across architectures including Llama. These findings establish THR as a principled and fine-grained mechanism for dynamically controlling exploration and exploitation in RL-tuned LLMs, providing new tools for targeted fine-tuning in reasoning-intensive applications.
Authors: Iryna Stanishevska
Abstract: Thunderstorm-driven outages are difficult to predict because most storms do not cause damage, convective processes occur rapidly and chaotically, and the available public data are both noisy and incomplete. We develop a 24-48 h early-warning model for summer, thunderstorm-related outages in Michigan using only open sources (EAGLE-I for ground truth; METAR for weather). We use the publicly released EAGLE-I outage dataset (2014-2022), maintained by Oak Ridge National Laboratory for the U.S. Department of Energy. The pipeline preserves convective micro-signals from a sparse station network via parameter-specific kriging with hourly variograms and targeted overdrafting to retain extremes, and builds causal spatio-temporal features (lags/rolling statistics; k-NN/IDW spatial aggregates) capturing precursors of severe convection (moisture advection, wind shifts, and pressure drops). The two-stage model design, combining a logistic gate and an LSTM regressor, limits routine periods and reduces noise exposure. The study uses event-centric metrics (cluster-based hits/misses/false alarms) and peak-conditional MASE (cMASE) in +/-Delta-hour windows around state-level peaks (>= 50,000), with uncertainty quantified by hourly moving-block bootstrap. On the test sample, Two-Stage detects more reference peaks across all windows (e.g., at +/-48 h it records 3/4 vs. 2/4; F1 66.7% vs. 57.1%) with one extra false alarm. Near peaks, it shows modest amplitude gains (2-3% lower cMASE at +/-0-12 h; bootstrap medians +9-13% at +/-6-12 h) but small losses at +/-36-48 h (~3-4%). Overall, errors are comparable to the one-step LSTM baseline. SHAP analysis confirms moisture-advection and wind/gust precursors, underscoring the value of the feature engineering. Despite open-data noise, the feature-driven pipeline yields actionable, event-focused early warnings for thunderstorm outages.
Authors: Haoqiang Kang, Yizhe Zhang, Nikki Lijing Kuang, Nicklas Majamaki, Navdeep Jaitly, Yi-An Ma, Lianhui Qin
Abstract: Large Language Models (LLMs) demonstrate their reasoning ability through chain-of-thought (CoT) generation. However, LLM's autoregressive decoding may limit the ability to revisit and refine earlier tokens in a holistic manner, which can also lead to inefficient exploration for diverse solutions. In this paper, we propose LaDiR (Latent Diffusion Reasoner), a novel reasoning framework that unifies the expressiveness of continuous latent representation with the iterative refinement capabilities of latent diffusion models for an existing LLM. We first construct a structured latent reasoning space using a Variational Autoencoder (VAE) that encodes text reasoning steps into blocks of thought tokens, preserving semantic information and interpretability while offering compact but expressive representations. Subsequently, we utilize a latent diffusion model that learns to denoise a block of latent thought tokens with a blockwise bidirectional attention mask, enabling longer horizon and iterative refinement with adaptive test-time compute. This design allows efficient parallel generation of diverse reasoning trajectories, allowing the model to plan and revise the reasoning process holistically. We conduct evaluations on a suite of mathematical reasoning and planning benchmarks. Empirical results show that LaDiR consistently improves accuracy, diversity, and interpretability over existing autoregressive, diffusion-based, and latent reasoning methods, revealing a new paradigm for text reasoning with latent diffusion.
Authors: Zihan Zhao, Fengtao Zhou, Ronggang Li, Bing Chu, Xinke Zhang, Xueyi Zheng, Ke Zheng, Xiaobo Wen, Jiabo Ma, Yihui Wang, Jiewei Chen, Chengyou Zheng, Jiangyu Zhang, Yongqin Wen, Jiajia Meng, Ziqi Zeng, Xiaoqing Li, Jing Li, Dan Xie, Yaping Ye, Yu Wang, Hao Chen, Muyan Cai
Abstract: Intraoperative pathology is pivotal to precision surgery, yet its clinical impact is constrained by diagnostic complexity and the limited availability of high-quality frozen-section data. While computational pathology has made significant strides, the lack of large-scale, prospective validation has impeded its routine adoption in surgical workflows. Here, we introduce CRISP, a clinical-grade foundation model developed on over 100,000 frozen sections from eight medical centers, specifically designed to provide Clinical-grade Robust Intraoperative Support for Pathology (CRISP). CRISP was comprehensively evaluated on more than 15,000 intraoperative slides across nearly 100 retrospective diagnostic tasks, including benign-malignant discrimination, key intraoperative decision-making, and pan-cancer detection, etc. The model demonstrated robust generalization across diverse institutions, tumor types, and anatomical sites-including previously unseen sites and rare cancers. In a prospective cohort of over 2,000 patients, CRISP sustained high diagnostic accuracy under real-world conditions, directly informing surgical decisions in 92.6% of cases. Human-AI collaboration further reduced diagnostic workload by 35%, avoided 105 ancillary tests and enhanced detection of micrometastases with 87.5% accuracy. Together, these findings position CRISP as a clinical-grade paradigm for AI-driven intraoperative pathology, bridging computational advances with surgical precision and accelerating the translation of artificial intelligence into routine clinical practice.
Authors: Dmitry Rybin, Yushun Zhang, Ding Tian, Zhihang Lin, Zhi-Quan Luo
Abstract: We present Exact Causal Attention (ECA), a Strassen-style algorithm that computes exact Causal Attention using 10\% fewer operations. ECA improves a special class of matrix multiplications where either one operand or the output matrix is upper- or lower-triangular. This includes all matrix multiplication operations in the forward and backward pass of Causal Attention, such as masked product $\mathrm{Mask}(QK^{T})$. ECA is built upon algebraic identities discovered via machine learning and combinatorial search. We note that ECA cannot accelerate fused kernels such as FlashAttention on GPU. This is because ECA requires materialization of large intermediate expressions in the memory, while FlashAttention does not. However, it provides an alternative approach for compute-bound applications and can potentially be useful in scenarios with FLOPs considerations.
Authors: Ou Deng, Ruichen Cong, Jianting Xu, Shoji Nishimura, Atsushi Ogihara, Qun Jin
Abstract: Symbolic regression promises readable equations but struggles to encode unit-aware thresholds and conditional logic. We propose logistic-gated operators (LGO) -- differentiable gates with learnable location and steepness -- embedded as typed primitives and mapped back to physical units for audit. Across two primary health datasets (ICU, NHANES), the hard-gate variant recovers clinically plausible cut-points: 71% (5/7) of assessed thresholds fall within 10% of guideline anchors and 100% within 20%, while using far fewer gates than the soft variant (ICU median 4.0 vs 10.0; NHANES 5.0 vs 12.5), and remaining within the competitive accuracy envelope of strong SR baselines. On predominantly smooth tasks, gates are pruned, preserving parsimony. The result is compact symbolic equations with explicit, unit-aware thresholds that can be audited against clinical anchors -- turning interpretability from a post-hoc explanation into a modeling constraint and equipping symbolic regression with a practical calculus for regime switching and governance-ready deployment.
Authors: Krishna Sri Ipsit Mantri, Or Feldman, Moshe Eliasof, Chaim Baskin
Abstract: Node affinity prediction is a common task that is widely used in temporal graph learning with applications in social and financial networks, recommender systems, and more. Recent works have addressed this task by adapting state-of-the-art dynamic link property prediction models to node affinity prediction. However, simple heuristics, such as Persistent Forecast or Moving Average, outperform these models. In this work, we analyze the challenges in training current Temporal Graph Neural Networks for node affinity prediction and suggest appropriate solutions. Combining the solutions, we develop NAViS - Node Affinity prediction model using Virtual State, by exploiting the equivalence between heuristics and state space models. While promising, training NAViS is non-trivial. Therefore, we further introduce a novel loss function for node affinity prediction. We evaluate NAViS on TGB and show that it outperforms the state-of-the-art, including heuristics. Our source code is available at https://github.com/orfeld415/NAVIS
Authors: Tan Wang, Yun Wei Dong, Tao Zhang, Qi Wang
Abstract: Transformer-based methods have achieved impressive results in time series forecasting. However, existing Transformers still exhibit limitations in sequence modeling as they tend to overemphasize temporal dependencies. This incurs additional computational overhead without yielding corresponding performance gains. We find that the performance of Transformers is highly dependent on the embedding method used to learn effective representations. To address this issue, we extract multivariate features to augment the effective information captured in the embedding layer, yielding multidimensional embeddings that convey richer and more meaningful sequence representations. These representations enable Transformer-based forecasters to better understand the series. Specifically, we introduce Hybrid Temporal and Multivariate Embeddings (HTME). The HTME extractor integrates a lightweight temporal feature extraction module with a carefully designed multivariate feature extraction module to provide complementary features, thereby achieving a balance between model complexity and performance. By combining HTME with the Transformer architecture, we present HTMformer, leveraging the enhanced feature extraction capability of the HTME extractor to build a lightweight forecaster. Experiments conducted on eight real-world datasets demonstrate that our approach outperforms existing baselines in both accuracy and efficiency.
Authors: Prabhant Singh, Pieter Gijsbers, Elif Ceren Gok Yildirim, Murat Onur Yildirim, Joaquin Vanschoren
Abstract: In this work, we present LOTUS (Learning to Learn with Optimal Transport for Unsupervised Scenarios), a simple yet effective method to perform model selection for multiple unsupervised machine learning(ML) tasks such as outlier detection and clustering. Our intuition behind this work is that a machine learning pipeline will perform well in a new dataset if it previously worked well on datasets with a similar underlying data distribution. We use Optimal Transport distances to find this similarity between unlabeled tabular datasets and recommend machine learning pipelines with one unified single method on two downstream unsupervised tasks: outlier detection and clustering. We present the effectiveness of our approach with experiments against strong baselines and show that LOTUS is a very promising first step toward model selection for multiple unsupervised ML tasks.
Authors: Zichen Wang, Haoyang Hong, Chuanhao Li, Haoxuan Li, Zhiheng Zhang, Huazheng Wang
Abstract: In multi-armed bandits with network interference (MABNI), the action taken by one node can influence the rewards of others, creating complex interdependence. While existing research on MABNI largely concentrates on minimizing regret, it often overlooks the crucial concern that an excessive emphasis on the optimal arm can undermine the inference accuracy for sub-optimal arms. Although initial efforts have been made to address this trade-off in single-unit scenarios, these challenges have become more pronounced in the context of MABNI. In this paper, we establish, for the first time, a theoretical Pareto frontier characterizing the trade-off between regret minimization and inference accuracy in adversarial (design-based) MABNI. We further introduce an anytime-valid asymptotic confidence sequence along with a corresponding algorithm, $\texttt{EXP3-N-CS}$, specifically designed to balance the trade-off between regret minimization and inference accuracy in this setting.
Authors: Md Hasibul Amin, Tamzid Tanvi Alam
Abstract: Continual learning the ability of a neural network to learn multiple sequential tasks without catastrophic forgetting remains a central challenge in developing adaptive artificial intelligence systems. While deep learning models achieve state-of-the-art performance across domains, they remain limited by overfitting and forgetting. This paper introduces Cluster-Aware Replay (CAR), a hybrid continual learning framework that integrates a small, class-balanced replay buffer with a regularization term based on Inter-Cluster Fitness (ICF) in the feature space. The ICF loss penalizes overlapping feature representations between new and previously learned tasks, encouraging geometric separation in the latent space and reducing interference. Using the standard five-task Split CIFAR-10 benchmark with a ResNet-18 backbone, initial experiments demonstrate that CAR better preserves earlier task performance compared to fine-tuning alone. These findings are preliminary but highlight feature-space regularization as a promising direction for mitigating catastrophic forgetting.
Authors: Chen Wang, Zhaochun Li, Jionghao Bai, Yuzhi Zhang, Shisheng Cui, Zhou Zhao, Yue Wang
Abstract: Reinforcement fine-tuning (RFT) is essential for enhancing the reasoning capabilities of large language models (LLM), yet the widely adopted Group Relative Policy Optimization (GRPO) suffers from entropy collapse, where entropy monotonically decreases, exploration vanishes, and policies converge prematurely. Existing entropy-regularized methods only partially alleviate this issue while introducing bias and instability, leaving entropy control unresolved and the connection between entropy, exploration, and performance unclear. We propose Arbitrary Entropy Policy Optimization (AEPO), which eliminates entropy collapse by replacing entropy bonuses with REINFORCE policy gradient on temperature-adjusted distributions and stabilizing entropy through temperature regulation. AEPO integrates three key designs: policy gradient as regularization, distribution as regularization, and REINFORCE as regularization, enabling precise entropy control without distorting optimization. Experiments demonstrate three major contributions: AEPO (1) stabilizes entropy at arbitrary target levels, effectively removing collapse in GRPO; (2) reveals a non-monotonic relation where performance first improves then declines with increasing entropy, clarifying the link between entropy, exploration, and reasoning; and (3) generalizes beyond entropy, providing a broader RFT paradigm where superior target distributions can serve as REINFORCE regularizers.
Authors: Mohammad Alkhalefi, Georgios Leontidis, Mingjun Zhong
Abstract: Instance discrimination is a self-supervised representation learning paradigm wherein individual instances within a dataset are treated as distinct classes. This is typically achieved by generating two disparate views of each instance by applying stochastic transformations, encouraging the model to learn representations invariant to the common underlying object across these views. While this approach facilitates the acquisition of invariant representations for dataset instances under various handcrafted transformations (e.g., random cropping, colour jittering), an exclusive reliance on such data transformations for achieving invariance may inherently limit the model's generalizability to unseen datasets and diverse downstream tasks. The inherent limitation stems from the fact that the finite set of transformations within the data processing pipeline is unable to encompass the full spectrum of potential data variations. In this study, we provide the technical foundation for leveraging semantic pairs to enhance the generalizability of the model's representation and empirically demonstrate that incorporating semantic pairs mitigates the issue of limited transformation coverage. Specifically, we propose that by exposing the model to semantic pairs (i.e., two instances belonging to the same semantic category), we introduce varied real-world scene contexts, thereby fostering the development of more generalizable object representations. To validate this hypothesis, we constructed and released a novel dataset comprising curated semantic pairs and conducted extensive experimentation to empirically establish that their inclusion enables the model to learn more general representations, ultimately leading to improved performance across diverse downstream tasks.
Authors: Michal Podstawski
Abstract: Graphs provide a universal framework for representing complex relational systems, and inferring their structural properties is a core challenge in graph analysis and reasoning. While large language models have recently demonstrated emerging abilities to perform symbolic and numerical reasoning, the potential of smaller, resource-efficient models in this context remains largely unexplored. This paper investigates whether compact transformer-based language models can infer graph-theoretic parameters directly from graph representations. To enable systematic evaluation, we introduce the TinyGraphEstimator dataset - a balanced collection of connected graphs generated from multiple random graph models and annotated with detailed structural metadata. We evaluate several small open models on their ability to predict key graph parameters such as density, clustering, and chromatic number. Furthermore, we apply lightweight fine-tuning using the Low-Rank Adaptation (LoRA) technique, achieving consistent improvements across all evaluated metrics. The results demonstrate that small language models possess non-trivial reasoning capacity over graph-structured data and can be effectively adapted for structural inference tasks through efficient parameter tuning.
Authors: Benedikt Franke, Florian Heinrich, Markus Lange, Arne Raulf
Abstract: This paper takes a closer look at Git Re-Basin, an interesting new approach to merge trained models. We propose a hierarchical model merging scheme that significantly outperforms the standard MergeMany algorithm. With our new algorithm, we find that Re-Basin induces adversarial and perturbation robustness into the merged models, with the effect becoming stronger the more models participate in the hierarchical merging scheme. However, in our experiments Re-Basin induces a much bigger performance drop than reported by the original authors.
Authors: Zhenglin Wan, Jingxuan Wu, Xingrui Yu, Chubin Zhang, Mingcong Lei, Bo An, Ivor Tsang
Abstract: Flow Matching (FM) has shown remarkable ability in modeling complex distributions and achieves strong performance in offline imitation learning for cloning expert behaviors. However, despite its behavioral cloning expressiveness, FM-based policies are inherently limited by their lack of environmental interaction and exploration. This leads to poor generalization in unseen scenarios beyond the expert demonstrations, underscoring the necessity of online interaction with environment. Unfortunately, optimizing FM policies via online interaction is challenging and inefficient due to instability in gradient computation and high inference costs. To address these issues, we propose to let a student policy with simple MLP structure explore the environment and be online updated via RL algorithm with a reward model. This reward model is associated with a teacher FM model, containing rich information of expert data distribution. Furthermore, the same teacher FM model is utilized to regularize the student policy's behavior to stabilize policy learning. Due to the student's simple architecture, we avoid the gradient instability of FM policies and enable efficient online exploration, while still leveraging the expressiveness of the teacher FM model. Extensive experiments show that our approach significantly enhances learning efficiency, generalization, and robustness, especially when learning from suboptimal expert data.
Authors: Ilyas Varshavskiy, Bonu Boboeva, Shuhrat Khalilbekov, Azizjon Azimi, Sergey Shulgin, Akhlitdin Nizamitdinov, Haitz S\'aez de Oc\'ariz Borde
Abstract: Machine Learning models in finance are highly susceptible to model drift, where predictive performance declines as data distributions shift. This issue is especially acute in developing economies such as those in Central Asia and the Caucasus - including Tajikistan, Uzbekistan, Kazakhstan, and Azerbaijan - where frequent and unpredictable macroeconomics shocks destabilize financial data. To the best of our knowledge, this is among the first studies to examine drift mitigation methods on financial datasets from these regions. We investigate the use of synthetic outliers, a largely unexplored approach, to improve model stability against unforeseen shocks. To evaluate effectiveness, we introduce a two-level framework that measures both the extent of performance degradation and the severity of shocks. Our experiments on macroeconomic tabular datasets show that adding a small proportion of synthetic outliers generally improves stability compared to baseline models, though the optimal amount varies by dataset and model
Authors: Brendan van Rooyen, Aditya Krishna Menon, Robert C. Williamson
Abstract: Many leading classification algorithms output a classifier that is a weighted average of kernel evaluations. Optimizing these weights is a nontrivial problem that still attracts much research effort. Furthermore, explaining these methods to the uninitiated is a difficult task. Letting all the weights be equal leads to a conceptually simpler classification rule, one that requires little effort to motivate or explain, the mean. Here we explore the consistency, robustness and sparsification of this simple classification rule.
Authors: Montaser Mohammedalamen, Dustin Morrill, Alexander Sieusahai, Yash Satsangi, Michael Bowling
Abstract: A key challenge in the field of reinforcement learning is to develop agents that behave cautiously in novel situations. It is generally impossible to anticipate all situations that an autonomous system may face or what behavior would best avoid bad outcomes. An agent that can learn to be cautious would overcome this challenge by discovering for itself when and how to behave cautiously. In contrast, current approaches typically embed task-specific safety information or explicit cautious behaviors into the system, which is error-prone and imposes extra burdens on practitioners. In this paper, we present both a sequence of tasks where cautious behavior becomes increasingly non-obvious, as well as an algorithm to demonstrate that it is possible for a system to learn to be cautious. The essential features of our algorithm are that it characterizes reward function uncertainty without task-specific safety information and uses this uncertainty to construct a robust policy. Specifically, we construct robust policies with a k-of-N counterfactual regret minimization (CFR) subroutine given learned reward function uncertainty represented by a neural network ensemble. These policies exhibit caution in each of our tasks without any task-specific safety tuning. Our code is available at https://github.com/montaserFath/Learning-to-be-Cautious
URLs: https://github.com/montaserFath/Learning-to-be-Cautious
Authors: Julius Richter, Simon Welker, Jean-Marie Lemercier, Bunlong Lay, Timo Gerkmann
Abstract: In this work, we build upon our previous publication and use diffusion-based generative models for speech enhancement. We present a detailed overview of the diffusion process that is based on a stochastic differential equation and delve into an extensive theoretical examination of its implications. Opposed to usual conditional generation tasks, we do not start the reverse process from pure Gaussian noise but from a mixture of noisy speech and Gaussian noise. This matches our forward process which moves from clean speech to noisy speech by including a drift term. We show that this procedure enables using only 30 diffusion steps to generate high-quality clean speech estimates. By adapting the network architecture, we are able to significantly improve the speech enhancement performance, indicating that the network, rather than the formalism, was the main limitation of our original approach. In an extensive cross-dataset evaluation, we show that the improved method can compete with recent discriminative models and achieves better generalization when evaluating on a different corpus than used for training. We complement the results with an instrumental evaluation using real-world noisy recordings and a listening experiment, in which our proposed method is rated best. Examining different sampler configurations for solving the reverse process allows us to balance the performance and computational speed of the proposed method. Moreover, we show that the proposed method is also suitable for dereverberation and thus not limited to additive background noise removal. Code and audio examples are available online, see https://github.com/sp-uhh/sgmse.
Authors: Nicholas Boucher, Jenny Blessing, Ilia Shumailov, Ross Anderson, Nicolas Papernot
Abstract: Text-based machine learning models are vulnerable to an emerging class of Unicode-based adversarial examples capable of tricking a model into misreading text with potentially disastrous effects. The primary existing defense against these attacks is to preprocess potentially malicious text inputs using optical character recognition (OCR). In theory, OCR models will ignore any malicious Unicode characters and will extract the visually correct input to be fed to the model. In this work, we show that these visual defenses fail to prevent this type of attack. We use a genetic algorithm to generate visual adversarial examples (i.e., OCR outputs) in a black-box setting, demonstrating a highly effective novel attack that substantially reduces the accuracy of OCR and other visual models. Specifically, we use the Unicode functionality of combining characters (e.g., \~n which combines the characters n and ~) to manipulate text inputs so that small visual perturbations appear when the text is displayed. We demonstrate the effectiveness of these attacks in the real world by creating adversarial examples against production models published by Meta, Microsoft, IBM, and Google. We additionally conduct a user study to establish that the model-fooling adversarial examples do not affect human comprehension of the text, showing that language models are uniquely vulnerable to this type of text attack.
Authors: Haichao Zhang, Can Qin, Yu Yin, Yun Fu
Abstract: Camouflaged objects that blend into natural scenes pose significant challenges for deep-learning models to detect and synthesize. While camouflaged object detection is a crucial task in computer vision with diverse real-world applications, this research topic has been constrained by limited data availability. We propose a framework for synthesizing camouflage data to enhance the detection of camouflaged objects in natural scenes. Our approach employs a generative model to produce realistic camouflage images, which can be used to train existing object detection models. Specifically, we use a camouflage environment generator supervised by a camouflage distribution classifier to synthesize the camouflage images, which are then fed into our generator to expand the dataset. Our framework outperforms the current state-of-the-art method on three datasets (COD10k, CAMO, and CHAMELEON), demonstrating its effectiveness in improving camouflaged object detection. This approach can serve as a plug-and-play data generation and augmentation module for existing camouflaged object detection tasks and provides a novel way to introduce more diversity and distributions into current camouflage datasets.
Authors: Weizheng Wang, Baijian Yang, Sungeun Hong, Wenhai Sun, Byung-Cheol Min
Abstract: Predicting crowd intentions and trajectories is critical for a range of real-world applications, involving social robotics and autonomous driving. Accurately modeling such behavior remains challenging due to the complexity of pairwise spatial-temporal interactions and the heterogeneous influence of groupwise dynamics. To address these challenges, we propose Hyper-STTN, a Hypergraph-based Spatial-Temporal Transformer Network for crowd trajectory prediction. Hyper-STTN constructs multiscale hypergraphs of varying group sizes to model groupwise correlations, captured through spectral hypergraph convolution based on random-walk probabilities. In parallel, a spatial-temporal transformer is employed to learn pedestrians' pairwise latent interactions across spatial and temporal dimensions. These heterogeneous groupwise and pairwise features are subsequently fused and aligned via a multimodal transformer. Extensive experiments on public pedestrian motion datasets demonstrate that Hyper-STTN consistently outperforms state-of-the-art baselines and ablation models.
Authors: Jinyuan Chang, Zhao Ding, Yuling Jiao, Ruoxuan Li, Jerry Zhijian Yang
Abstract: We introduce an ordinary differential equation (ODE) based deep generative method for learning conditional distributions, named Conditional F\"ollmer Flow. Starting from a standard Gaussian distribution, the proposed flow could approximate the target conditional distribution very well when the time is close to 1. For effective implementation, we discretize the flow with Euler's method where we estimate the velocity field nonparametrically using a deep neural network. Furthermore, we also establish the convergence result for the Wasserstein-2 distance between the distribution of the learned samples and the target conditional distribution, providing the first comprehensive end-to-end error analysis for conditional distribution learning via ODE flow. Our numerical experiments showcase its effectiveness across a range of scenarios, from standard nonparametric conditional density estimation problems to more intricate challenges involving image data, illustrating its superiority over various existing conditional density estimation methods.
Authors: Amin Dada, Marie Bauer, Amanda Butler Contreras, Osman Alperen Kora\c{s}, Constantin Marc Seibold, Kaleb E Smith, Jens Kleesiek
Abstract: Large Language Models (LLMs) are expected to significantly contribute to patient care, diagnostics, and administrative processes. Emerging biomedical LLMs aim to address healthcare-specific challenges, including privacy demands and computational constraints. Assessing the models' suitability for this sensitive application area is of the utmost importance. However, biomedical training has not been systematically evaluated on medical tasks. This study investigates the effect of biomedical training in the context of six practical medical tasks evaluating $25$ models. In contrast to previous evaluations, our results reveal a performance decline in nine out of twelve biomedical models after fine-tuning, particularly on tasks involving hallucinations, ICD10 coding, and instruction adherence. General-domain models like Meta-Llama-3.1-70B-Instruct outperformed their biomedical counterparts, indicating a trade-off between domain-specific fine-tuning and general medical task performance. We open-source all evaluation scripts and datasets at https://github.com/TIO-IKIM/CLUE to support further research in this critical area.
Authors: Vineet Kumar, Suresh Sundaram
Abstract: Writer identification due to its widespread application in various fields has gained popularity over the years. In scenarios where optimum handwriting samples are available, whether they be in the form of a single line, a sentence, or an entire page, writer identification algorithms have demonstrated noteworthy levels of accuracy. However, in scenarios where only a limited number of handwritten samples are available, particularly in the form of word images, there is a significant scope for improvement. In this paper, we propose a writer identification system based on an attention-driven Convolutional Neural Network (CNN). The system is trained utilizing image segments, known as fragments, extracted from word images, employing a pyramid-based strategy. This methodology enables the system to capture a comprehensive representation of the data, encompassing both fine-grained details and coarse features across various levels of abstraction. These extracted fragments serve as the training data for the convolutional network, enabling it to learn a more robust representation compared to traditional convolution-based networks trained on word images. Additionally, the paper explores the integration of an attention mechanism to enhance the representational power of the learned features. The efficacy of the proposed algorithm is evaluated on three benchmark databases, demonstrating its proficiency in writer identification tasks, particularly in scenarios with limited access to handwriting data.
Authors: Jiale Han, Xiaowu Dai
Abstract: Online auction is a cornerstone of e-commerce, and a key challenge is designing incentive-compatible mechanisms that maximize expected revenue. Existing approaches often assume known bidder value distributions and fixed sets of bidders and items, but these assumptions rarely hold in real-world settings where bidder values are unknown, and the number of future participants is uncertain. In this paper, we introduce the Conformal Online Auction Design (COAD), a novel mechanism that maximizes revenue by quantifying uncertainty in bidder values without relying on known distributions. COAD incorporates both bidder and item features, using historical data to design an incentive-compatible mechanism for online auctions. Unlike traditional methods, COAD leverages distribution-free uncertainty quantification techniques and integrates machine learning methods, such as random forests, kernel methods, and deep neural networks, to predict bidder values while ensuring revenue guarantees. Moreover, COAD introduces bidder-specific reserve prices, based on the lower confidence bounds of bidder valuations, contrasting with the single reserve prices commonly used in the literature. We demonstrate the practical effectiveness of COAD through an application to real-world eBay auction data. Theoretical results and extensive simulation studies further validate the properties of our approach.
Authors: Zafeirios Fountas, Martin A Benfeghoul, Adnan Oomerjee, Fenia Christopoulou, Gerasimos Lampouras, Haitham Bou-Ammar, Jun Wang
Abstract: Large language models (LLMs) have shown remarkable capabilities, but still struggle with processing extensive contexts, limiting their ability to maintain coherence and accuracy over long sequences. In contrast, the human brain excels at organising and retrieving episodic experiences across vast temporal scales, spanning a lifetime. In this work, we introduce EM-LLM, a novel approach that integrates key aspects of human episodic memory and event cognition into LLMs with no fine-tuning, enabling them to handle practically infinite context lengths while maintaining computational efficiency. EM-LLM organises sequences of tokens into coherent episodic events using a combination of Bayesian surprise and graph-theoretic boundary refinement in an online fashion. When needed, these events are retrieved through a two-stage memory process, combining similarity-based and temporally contiguous retrieval for efficient, human-inspired access to relevant information. Experiments on the LongBench and $\infty$-Bench benchmarks demonstrate EM-LLM's superior performance, consistently outperforming the state-of-the-art retrieval model InfLLM across various baseline LLMs. In addition, EM-LLM outperforms its popular counterpart, RAG, in a wide range of tasks, while requiring similar resources. Notably, EM-LLM's performance even surpasses full-context models in most tasks, while successfully performing retrieval across 10 million tokens -- a scale computationally infeasible for such models. Finally, our analysis reveals strong correlations between EM-LLM's event segmentation and human-perceived events, suggesting parallels between this artificial system and its biological counterpart, thereby offering a novel computational framework for exploring human memory mechanisms.
Authors: Pierre-Cyril Aubin-Frankowski, Yohann De Castro, Axel Parmentier, Alessandro Rudi
Abstract: A recent line of structured learning methods has advanced the practical state-of-the-art for combinatorial optimization problems with complex, application-specific objectives. These approaches learn policies that couple a statistical model with a tractable surrogate combinatorial optimization oracle, so as to exploit the distribution of problem instances instead of solving each instance independently. A core obstacle is that the empirical risk is then piecewise constant in the model parameters. This hinders gradient-based optimization and only few theoretical guarantees have been provided so far. We address this issue by analyzing smoothed (perturbed) policies: adding controlled random perturbations to the direction used by the linear oracle yields a differentiable surrogate risk and improves generalization. Our main contribution is a generalization bound that decomposes the excess risk into perturbation bias, statistical estimation error, and optimization error. The analysis hinges on a new Uniform Weak (UW) property capturing the geometric interaction between the statistical model and the normal fan of the feasible polytope; we show it holds under mild assumptions, and automatically when a minimal baseline perturbation is present. The framework covers, in particular, contextual stochastic optimization. We illustrate the scope of the results on applications such as stochastic vehicle scheduling, highlighting how smoothing enables both tractable training and controlled generalization.
Authors: Tong Xu, Simge K\"u\c{c}\"ukyavuz, Ali Shojaie, Armeen Taeb
Abstract: This paper studies the problem of learning Bayesian networks from continuous observational data, generated according to a linear Gaussian structural equation model. We consider an $\ell_0$-penalized maximum likelihood estimator for this problem which is known to have favorable statistical properties but is computationally challenging to solve, especially for medium-sized Bayesian networks. We propose a new coordinate descent algorithm to approximate this estimator and prove several remarkable properties of our procedure: the algorithm converges to a coordinate-wise minimum, and despite the non-convexity of the loss function, as the sample size tends to infinity, the objective value of the coordinate descent solution converges to the optimal objective value of the $\ell_0$-penalized maximum likelihood estimator. Finite-sample statistical consistency guarantees are also established. To the best of our knowledge, our proposal is the first coordinate descent procedure endowed with optimality and statistical guarantees in the context of learning Bayesian networks. Numerical experiments on synthetic and real data demonstrate that our coordinate descent method can obtain near-optimal solutions while being scalable.
Authors: Satsuki Nishimura, Coh Miyao, Hajime Otsuka
Abstract: We propose a reinforcement learning-based search strategy to explore new physics beyond the Standard Model. The reinforcement learning, which is one of machine learning methods, is a powerful approach to find model parameters with phenomenological constraints. As a concrete example, we focus on a minimal axion model with a global $U(1)$ flavor symmetry. Agents of the learning succeed in finding $U(1)$ charge assignments of quarks and leptons solving the flavor and cosmological puzzles in the Standard Model, and find more than 150 realistic solutions for the quark sector taking renormalization effects into account. For the solutions found by the reinforcement learning-based analysis, we discuss the sensitivity of future experiments for the detection of an axion which is a Nambu-Goldstone boson of the spontaneously broken $U(1)$. We also examine how fast the reinforcement learning-based searching method finds the best discrete parameters in comparison with conventional optimization methods. In conclusion, the efficient parameter search based on the reinforcement learning-based strategy enables us to perform a statistical analysis of the vast parameter space associated with the axion model from flavor.
Authors: Asad Aali, Andrew Johnston, Louis Blankemeier, Dave Van Veen, Laura T Derry, David Svec, Jason Hom, Robert D. Boutin, Akshay S. Chaudhari
Abstract: Abdominal computed tomography (CT) scans are frequently performed in clinical settings. Opportunistic CT involves repurposing routine CT images to extract diagnostic information and is an emerging tool for detecting underdiagnosed conditions such as sarcopenia, hepatic steatosis, and ascites. This study utilizes deep learning methods to promote accurate diagnosis and clinical documentation. We analyze 2,674 inpatient CT scans to identify discrepancies between imaging phenotypes (characteristics derived from opportunistic CT scans) and their corresponding documentation in radiology reports and ICD coding. Through our analysis, we find that only 0.5%, 3.2%, and 30.7% of scans diagnosed with sarcopenia, hepatic steatosis, and ascites (respectively) through either opportunistic imaging or radiology reports were ICD-coded. Our findings demonstrate opportunistic CT's potential to enhance diagnostic precision and accuracy of risk adjustment models, offering advancements in precision medicine.
Authors: Chaithanya Bandi, Abir Harrasse
Abstract: The evaluation of Large Language Models (LLMs) remains challenging due to inconsistency, bias, and the absence of transparent decision criteria in automated judging. We present Debate, Deliberate, Decide (D3), a cost-aware, adversarial multi-agent framework that orchestrates structured debate among role-specialized agents (advocates, a judge, and an optional jury) to produce reliable and interpretable evaluations. D3 instantiates two complementary protocols: (1) Multi-Advocate One-Round Evaluation (MORE), which elicits k parallel defenses per answer to amplify signal via diverse advocacy, and (2) Single-Advocate Multi-Round Evaluation (SAMRE) with budgeted stopping, which iteratively refines arguments under an explicit token budget and convergence checks. We develop a probabilistic model of score gaps that (i) characterizes reliability and convergence under iterative debate and (ii) explains the separation gains from parallel advocacy. Under mild assumptions, the posterior distribution of the round-r gap concentrates around the true difference and the probability of mis-ranking vanishes; moreover, aggregating across k advocates provably increases expected score separation. We complement theory with a rigorous experimental suite across MT-Bench, AlignBench, and AUTO-J, showing state-of-the-art agreement with human judgments (accuracy and Cohen's kappa), reduced positional and verbosity biases via anonymization and role diversification, and a favorable cost-accuracy frontier enabled by budgeted stopping. Ablations and qualitative analyses isolate the contributions of debate, aggregation, and anonymity. Together, these results establish D3 as a principled, practical recipe for reliable, interpretable, and cost-aware LLM evaluation.
Authors: Shenghao Qin, Jianliang He, Qi Kuang, Bowen Gang, Yin Xia
Abstract: This article introduces a Synthetics, Aggregation, and Test inversion (SAT) approach for merging diverse and potentially dependent uncertainty sets into a single unified set. The procedure is data-light, relying only on initial sets and their nominal levels, and it flexibly adapts to user-specified input sets with possibly varying coverage guarantees. SAT is motivated by the challenge of integrating uncertainty sets when only the initial sets and their control levels are available-for example, when merging confidence sets from distributed sites under communication constraints or combining conformal prediction sets generated by different algorithms or data splits. To address this, SAT constructs and aggregates novel synthetic test statistics, and then derive merged sets through test inversion. Our method leverages the duality between set estimation and hypothesis testing, ensuring reliable coverage in dependent scenarios. A key theoretical contribution is a rigorous analysis of SAT's properties, including its admissibility in the context of deterministic set merging. Both theoretical analyses and empirical results confirm the method's finite-sample coverage validity and desirable set sizes.
Authors: Qihang Zhou, Shenhao Fang, Shibo He, Wenchao Meng, Jiming Chen
Abstract: Condensing large datasets into smaller synthetic counterparts has demonstrated its promise for image classification. However, previous research has overlooked a crucial concern in image recognition: ensuring that models trained on condensed datasets are unbiased towards protected attributes (PA), such as gender and race. Our investigation reveals that dataset distillation fails to alleviate the unfairness towards minority groups within original datasets. Moreover, this bias typically worsens in the condensed datasets due to their smaller size. To bridge the research gap, we propose a novel fair dataset distillation (FDD) framework, namely FairDD, which can be seamlessly applied to diverse matching-based DD approaches (DDs), requiring no modifications to their original architectures. The key innovation of FairDD lies in synchronously matching synthetic datasets to PA-wise groups of original datasets, rather than indiscriminate alignment to the whole distributions in vanilla DDs, dominated by majority groups. This synchronized matching allows synthetic datasets to avoid collapsing into majority groups and bootstrap their balanced generation to all PA groups. Consequently, FairDD could effectively regularize vanilla DDs to favor biased generation toward minority groups while maintaining the accuracy of target attributes. Theoretical analyses and extensive experimental evaluations demonstrate that FairDD significantly improves fairness compared to vanilla DDs, with a promising trade-off between fairness and accuracy. Its consistent superiority across diverse DDs, spanning Distribution and Gradient Matching, establishes it as a versatile FDD approach. Code is available at https://github.com/zqhang/FairDD.
Authors: Marcel Torne, Arhan Jain, Jiayi Yuan, Vidaaranya Macha, Lars Ankile, Anthony Simeonov, Pulkit Agrawal, Abhishek Gupta
Abstract: Scaling robot learning requires data collection pipelines that scale favorably with human effort. In this work, we propose Crowdsourcing and Amortizing Human Effort for Real-to-Sim-to-Real(CASHER), a pipeline for scaling up data collection and learning in simulation where the performance scales superlinearly with human effort. The key idea is to crowdsource digital twins of real-world scenes using 3D reconstruction and collect large-scale data in simulation, rather than the real-world. Data collection in simulation is initially driven by RL, bootstrapped with human demonstrations. As the training of a generalist policy progresses across environments, its generalization capabilities can be used to replace human effort with model generated demonstrations. This results in a pipeline where behavioral data is collected in simulation with continually reducing human effort. We show that CASHER demonstrates zero-shot and few-shot scaling laws on three real-world tasks across diverse scenarios. We show that CASHER enables fine-tuning of pre-trained policies to a target scenario using a video scan without any additional human effort. See our project website: https://casher-robot-learning.github.io/CASHER/
Authors: Marcin Przewi\k{e}\'zlikowski, Randall Balestriero, Wojciech Jasi\'nski, Marek \'Smieja, Bartosz Zieli\'nski
Abstract: Masked Image Modeling (MIM) has emerged as a promising approach for Self-Supervised Learning (SSL) of visual representations. However, the out-of-the-box performance of MIMs is typically inferior to competing approaches. Most users cannot afford fine-tuning due to the need for large amounts of data, high GPU consumption, and specialized user knowledge. Therefore, the practical use of MIM representations is limited. In this paper we ask what is the reason for the poor out-of-the-box performance of MIMs. Is it due to weaker features produced by MIM models, or is it due to suboptimal usage? Through detailed analysis, we show that attention in MIMs is spread almost uniformly over many patches, leading to ineffective aggregation by the [cls] token. Based on this insight, we propose Selective Aggregation to better capture the rich semantic information retained in patch tokens, which significantly improves the out-of-the-box performance of MIM.
Authors: Mario Bravo, Juan P. Flores-Mella, Crist\'obal Guzm\'an
Abstract: We study the mixing time of the projected Langevin algorithm (LA) and the privacy curve of noisy Stochastic Gradient Descent (SGD), beyond nonexpansive iterations. Specifically, we derive new mixing time bounds for the projected LA which are, in some important cases, dimension-free and poly-logarithmic on the accuracy, closely matching the existing results in the smooth convex case. Additionally, we establish new upper bounds for the privacy curve of the subsampled noisy SGD algorithm. These bounds show a crucial dependency on the regularity of gradients, and are useful for a wide range of convex losses beyond the smooth case. Our analysis relies on a suitable extension of the Privacy Amplification by Iteration (PABI) framework (Feldman et al., 2018; Altschuler and Talwar, 2022, 2023) to noisy iterations whose gradient map is not necessarily nonexpansive. This extension is achieved by designing an optimization problem which accounts for the best possible R\'enyi divergence bound obtained by an application of PABI, where the tractability of the problem is crucially related to the modulus of continuity of the associated gradient mapping. We show that, in several interesting cases -- namely the nonsmooth convex, weakly smooth and (strongly) dissipative -- such optimization problem can be solved exactly and explicitly, yielding the tightest possible PABI-based bounds.
Authors: Juntao Ren, Priya Sundaresan, Dorsa Sadigh, Sanjiban Choudhury, Jeannette Bohg
Abstract: Teaching robots to autonomously complete everyday tasks remains a challenge. Imitation Learning (IL) is a powerful approach that imbues robots with skills via demonstrations, but is limited by the labor-intensive process of collecting teleoperated robot data. Human videos offer a scalable alternative, but it remains difficult to directly train IL policies from them due to the lack of robot action labels. To address this, we propose to represent actions as short-horizon 2D trajectories on an image. These actions, or motion tracks, capture the predicted direction of motion for either human hands or robot end-effectors. We instantiate an IL policy called Motion Track Policy (MT-pi) which receives image observations and outputs motion tracks as actions. By leveraging this unified, cross-embodiment action space, MT-pi completes tasks with high success given just minutes of human video and limited additional robot demonstrations. At test time, we predict motion tracks from two camera views, recovering 6DoF trajectories via multi-view synthesis. MT-pi achieves an average success rate of 86.5% across 4 real-world tasks, outperforming state-of-the-art IL baselines which do not leverage human data or our action space by 40%, and generalizes to scenarios seen only in human videos. Code and videos are available on our website https://portal-cornell.github.io/motion_track_policy/.
URLs: https://portal-cornell.github.io/motion_track_policy/.
Authors: Nupur Kumari, Xi Yin, Jun-Yan Zhu, Ishan Misra, Samaneh Azadi
Abstract: Customization of text-to-image models enables users to insert new concepts or objects and generate them in unseen settings. Existing methods either rely on comparatively expensive test-time optimization or train encoders on single-image datasets without multi-image supervision, which can limit image quality. We propose a simple approach to address these challenges. We first leverage existing text-to-image models and 3D datasets to create a high-quality Synthetic Customization Dataset (SynCD) consisting of multiple images of the same object in different lighting, backgrounds, and poses. Using this dataset, we train an encoder-based model that incorporates fine-grained visual details from reference images via a shared attention mechanism. Finally, we propose an inference technique that normalizes text and image guidance vectors to mitigate overexposure issues in sampled images. Through extensive experiments, we show that our encoder-based model, trained on SynCD, and with the proposed inference algorithm, improves upon existing encoder-based methods on standard customization benchmarks.
Authors: Han Bao, Shinsaku Sakaue, Yuki Takezawa
Abstract: The gradient descent (GD) has been one of the most common optimizer in machine learning. In particular, the loss landscape of a neural network is typically sharpened during the initial phase of training, making the training dynamics hover on the edge of stability. This is beyond our standard understanding of GD convergence in the stable regime where arbitrarily chosen stepsize is sufficiently smaller than the edge of stability. Recently, Wu et al. (COLT2024) have showed that GD converges with arbitrary stepsize under linearly separable logistic regression. Although their analysis hinges on the self-bounding property of the logistic loss, which seems to be a cornerstone to establish a modified descent lemma, our pilot study shows that other loss functions without the self-bounding property can make GD converge with arbitrary stepsize. To further understand what property of a loss function matters in GD, we aim to show arbitrary-stepsize GD convergence for a general loss function based on the framework of \emph{Fenchel--Young losses}. We essentially leverage the classical perceptron argument to derive the convergence rate for achieving $\epsilon$-optimal loss, which is possible for a majority of Fenchel--Young losses. Among typical loss functions, the Tsallis entropy achieves the GD convergence rate $T=\Omega(\epsilon^{-1/2})$, and the R{\'e}nyi entropy achieves the far better rate $T=\Omega(\epsilon^{-1/3})$. We argue that these better rate is possible because of \emph{separation margin} of loss functions, instead of the self-bounding property.
Authors: Yongcheng Zeng, Xinyu Cui, Xuanfa Jin, Qirui Mi, Guoqing Liu, Zexu Sun, Mengyue Yang, Dong Li, Weiyu Ma, Ning Yang, Jian Zhao, Jianye Hao, Haifeng Zhang, Jun Wang
Abstract: Self-Refinement refers to a model's ability to revise its own responses to produce improved outputs. This capability can also serve as a fundamental mechanism for Self-Improvement, for example, by reconstructing datasets with refined results to enhance intrinsic model performance. However, our comprehensive experiments reveal that large language models (LLMs) show no clear evidence of inherent Self-Refinement and may even experience response quality degradation after Self-Refinement. To address this issue, we propose EVOLVE, a simple and effective framework for eliciting and tracking the evolution of Self-Refinement through iterative training. We first explore optimization methods during training to activate the model's Self-Refinement capability. Then, at inference, we investigate various generation strategies to further enhance and utilize Self-Refinement while supplying the necessary data for training. Through synergistic optimization of training and inference stages, we continually evolve the model's Self-Refinement ability, enabling it to better refine its own responses. Moreover, we demonstrate the potential of leveraging Self-Refinement to achieve broader Self-Improvement of intrinsic model abilities. Experiments show that the evolved Self-Refinement ability enables the Llama-3.1-8B base model to surpass GPT-4o, achieving 62.3% length-controlled and 63.3% raw win rates on AlpacaEval 2, and 50.3% on Arena-Hard. It also generalizes effectively to out-of-domain reasoning tasks, improving performance on mathematical reasoning benchmarks such as GSM8K and MATH.
Authors: Anh-Tien Nguyen, Duy Minh Ho Nguyen, Nghiem Tuong Diep, Trung Quoc Nguyen, Nhat Ho, Jacqueline Michelle Metsch, Miriam Cindy Maurer, Daniel Sonntag, Hanibal Bohnenberger, Anne-Christin Hauschild
Abstract: Whole slide pathology image classification presents challenges due to gigapixel image sizes and limited annotation labels, hindering model generalization. This paper introduces a prompt learning method to adapt large vision-language models for few-shot pathology classification. We first extend the Prov-GigaPath vision foundation model, pre-trained on 1.3 billion pathology image tiles, into a vision-language model by adding adaptors and aligning it with medical text encoders via contrastive learning on 923K image-text pairs. The model is then used to extract visual features and text embeddings from few-shot annotations and fine-tunes with learnable prompt embeddings. Unlike prior methods that combine prompts with frozen features using prefix embeddings or self-attention, we propose multi-granular attention that compares interactions between learnable prompts with individual image patches and groups of them. This approach improves the model's ability to capture both fine-grained details and broader context, enhancing its recognition of complex patterns across sub-regions. To further improve accuracy, we leverage (unbalanced) optimal transport-based visual-text distance to secure model robustness by mitigating perturbations that might occur during the data augmentation process. Empirical experiments on lung, kidney, and breast pathology modalities validate the effectiveness of our approach; thereby, we surpass several of the latest competitors and consistently improve performance across diverse architectures, including CLIP, PLIP, and Prov-GigaPath integrated PLIP.
Authors: Jonathan Pofcher, Christopher M. Homan, Randall Sell, Ashiqur R. KhudaBukhsh
Abstract: This paper makes three contributions. First, via a substantial corpus of 1,419,047 comments posted on 3,161 YouTube news videos of major US cable news outlets, we analyze how users engage with LGBTQ+ news content. Our analyses focus both on positive and negative content. In particular, we construct a fine-grained hope speech classifier that detects positive (hope speech), negative, neutral, and irrelevant content. Second, in consultation with a public health expert specializing on LGBTQ+ health, we conduct an annotation study with a balanced and diverse political representation and release a dataset of 3,750 instances with fine-grained labels and detailed annotator demographic information. Finally, beyond providing a vital resource for the LGBTQ+ community, our annotation study and subsequent in-the-wild assessments reveal (1) strong association between rater political beliefs and how they rate content relevant to a marginalized community; (2) models trained on individual political beliefs exhibit considerable in-the-wild disagreement; and (3) zero-shot large language models (LLMs) align more with liberal raters.
Authors: Arjun Gupta, Rishik Sathua, Saurabh Gupta
Abstract: Many everyday mobile manipulation tasks require precise interaction with small objects, such as grasping a knob to open a cabinet or pressing a light switch. In this paper, we develop Servoing with Vision Models (SVM), a closed-loop framework that enables a mobile manipulator to tackle such precise tasks involving the manipulation of small objects. SVM uses state-of-the-art vision foundation models to generate 3D targets for visual servoing to enable diverse tasks in novel environments. Naively doing so fails because of occlusion by the end-effector. SVM mitigates this using vision models that out-paint the end-effector, thereby significantly enhancing target localization. We demonstrate that aided by out-painting methods, open-vocabulary object detectors can serve as a drop-in module for SVM to seek semantic targets (e.g. knobs) and point tracking methods can help SVM reliably pursue interaction sites indicated by user clicks. We conduct a large-scale evaluation spanning experiments in 10 novel environments across 6 buildings including 72 different object instances. SVM obtains a 71% zero-shot success rate on manipulating unseen objects in novel environments in the real world, outperforming an open-loop control method by an absolute 42% and an imitation learning baseline trained on 1000+ demonstrations also by an absolute success rate of 50%.
Authors: Chengyin Xu, Kaiyuan Chen, Xiao Li, Ke Shen, Chenggang Li
Abstract: The escalating scale and cost of Large Language Models (LLMs) training necessitate accurate pre-training prediction of downstream task performance for efficient resource allocation. This is challenged by: 1) the emergence phenomenon, where metrics become meaningful only after extensive training, hindering prediction by smaller models; and 2) uneven task difficulty and inconsistent performance scaling patterns, leading to high metric variability. Current prediction methods lack accuracy and reliability. We propose a Clustering-On-Difficulty (COD) framework for downstream performance prediction. The COD framework clusters tasks by their difficulty scaling features, thereby establishing a more stable and predictable support subset through the exclusion of tasks exhibiting non-emergent behavior or irregular scaling. We adopt a performance scaling law to predict cluster-wise performance with theoretical support. Predictable subset performance acts as an intermediate predictor for the full evaluation set. We further derive a mapping function to accurately extrapolate the performance of the subset to the full set. Applied to an LLM with 70B parameters, COD achieved a 1.36% average prediction error across eight key LLM benchmarks, offering actionable insights for resource allocation and training monitoring of LLMs pretraining.
Authors: Jakub Macina, Nico Daheim, Ido Hakimi, Manu Kapur, Iryna Gurevych, Mrinmaya Sachan
Abstract: Evaluating the pedagogical capabilities of AI-based tutoring models is critical for making guided progress in the field. Yet, we lack a reliable, easy-to-use, and simple-to-run evaluation that reflects the pedagogical abilities of models. To fill this gap, we present MathTutorBench, an open-source benchmark for holistic tutoring model evaluation. MathTutorBench contains a collection of datasets and metrics that broadly cover tutor abilities as defined by learning sciences research in dialog-based teaching. To score the pedagogical quality of open-ended teacher responses, we train a reward model and show it can discriminate expert from novice teacher responses with high accuracy. We evaluate a wide set of closed- and open-weight models on MathTutorBench and find that subject expertise, indicated by solving ability, does not immediately translate to good teaching. Rather, pedagogy and subject expertise appear to form a trade-off that is navigated by the degree of tutoring specialization of the model. Furthermore, tutoring appears to become more challenging in longer dialogs, where simpler questioning strategies begin to fail. We release the benchmark, code, and leaderboard openly to enable rapid benchmarking of future models.
Authors: Zixuan Gong, Shijia Li, Yong Liu, Jiaye Teng
Abstract: Transformers may exhibit two-stage training dynamics during the real-world training process. For instance, when training GPT-2 on the Counterfact dataset, the answers progress from syntactically incorrect to syntactically correct to semantically correct. However, existing theoretical analyses hardly account for this feature-level two-stage phenomenon, which originates from the disentangled two-type features like syntax and semantics. In this paper, we theoretically demonstrate how the two-stage training dynamics potentially occur in transformers. Specifically, we analyze the feature learning dynamics induced by the aforementioned disentangled two-type feature structure, grounding our analysis in a simplified yet illustrative setting that comprises a normalized ReLU self-attention layer and structured data. Such disentanglement of feature structure is general in practice, e.g., natural languages contain syntax and semantics, and proteins contain primary and secondary structures. To our best knowledge, this is the first rigorous result regarding a feature-level two-stage optimization process in transformers. Additionally, a corollary indicates that such a two-stage process is closely related to the spectral properties of the attention weights, which accords well with our empirical findings.
Authors: Lin An, Andrew A. Li, Vaisnavi Nemala, Gabriel Visotsky
Abstract: Real-time personalization has advanced significantly in recent years, with platforms utilizing machine learning models to predict user preferences based on rich behavioral data on each individual user. Traditional approaches usually rely on embedding-based machine learning models to capture user preferences, and then reduce the final optimization task to nearest-neighbors, which can be performed extremely fast. However, these models struggle to capture complex user behaviors, which are essential for making accurate recommendations. Transformer-based models, on the other hand, are known for their practical ability to model sequential behaviors, and hence have been intensively used in personalization recently to overcome these limitations. However, optimizing recommendations under transformer-based models is challenging due to their complicated architectures. In this paper, we address this challenge by considering a specific class of transformers, showing its ability to represent complex user preferences, and developing efficient algorithms for real-time personalization. We focus on a particular set of transformers, called simple transformers, which contain a single self-attention layer. We show that simple transformers are capable of capturing complex user preferences. We then develop an algorithm that enables fast optimization of recommendation tasks based on simple transformers. Our algorithm achieves near-optimal performance in sub-linear time. Finally, we demonstrate the effectiveness of our approach through an empirical study on datasets from Spotify and Trivago. Our experiment results show that (1) simple transformers can model/predict user preferences substantially more accurately than non-transformer models and nearly as accurately as more complex transformers, and (2) our algorithm completes simple-transformer-based recommendation tasks quickly and effectively.
Authors: Giovanni Compiani, Ilya Morozov, Stephan Seiler
Abstract: We propose a demand estimation method that leverages unstructured text and image data to infer substitution patterns. Using pre-trained deep learning models, we extract embeddings from product images and textual descriptions and incorporate them into a random coefficients logit model. This approach enables researchers to estimate demand even when they lack data on product attributes or when consumers value hard-to-quantify attributes, such as visual design or functional benefits. Using data from a choice experiment, we show that our approach outperforms standard attribute-based models in counterfactual predictions of consumers' second choices. We also apply it across 40 product categories on Amazon and consistently find that text and image data help identify close substitutes within each category.
Authors: Zhihan Zhou, Feng Hong, Jiaan Luo, Jiangchao Yao, Dongsheng Li, Bo Han, Ya Zhang, Yanfeng Wang
Abstract: We propose L2T, an advancement of visual instruction tuning (VIT). While VIT equips Multimodal LLMs (MLLMs) with promising multimodal capabilities, the current design choices for VIT often result in overfitting and shortcut learning, potentially degrading performance. This gap arises from an overemphasis on instruction-following abilities, while neglecting the proactive understanding of visual information. Inspired by this, L2T adopts a simple yet effective approach by incorporating the loss function into both the instruction and response sequences. It seamlessly expands the training data, and regularizes the MLLMs from overly relying on language priors. Based on this merit, L2T achieves a significant relative improvement of up to 9% on comprehensive multimodal benchmarks, requiring no additional training data and incurring negligible computational overhead. Surprisingly, L2T attains exceptional fundamental visual capabilities, yielding up to an 18% improvement in captioning performance, while simultaneously alleviating hallucination in MLLMs. Github code: https://github.com/Feng-Hong/L2T.
Authors: Dariush Kari, Hari Vishnu, Andrew C. Singer
Abstract: Adapting pre-trained deep learning models to new and unknown environments remains a major challenge in underwater acoustic localization. We show that although the performance of pre-trained models suffers from mismatch between the training and test data, they generally exhibit a higher uncertainty in environments where there is more mismatch. Additionally, in the presence of environmental mismatch, spurious peaks can appear in the output of classification-based localization approaches, which inspires us to define and use a method to quantify the "implied uncertainty" based on the number of model output peaks. Leveraging this notion of implied uncertainty, we partition the test samples into sets with more certain and less certain samples, and implement a method to adapt the model to new environments by using the certain samples to improve the labeling for uncertain samples, which helps to adapt the model. Thus, using this efficient method for model uncertainty quantification, we showcase an innovative approach to adapt a pre-trained model to unseen underwater environments at test time. This eliminates the need for labeled data from the target environment or the original training data. This adaptation is enhanced by integrating an independent estimate based on the received signal energy. We validate the approach extensively using real experimental data, as well as synthetic data consisting of model-generated signals with real ocean noise. The results demonstrate significant improvements in model prediction accuracy, underscoring the potential of the method to enhance underwater acoustic localization in diverse, noisy, and unknown environments.
Authors: Shuai Zhao, Yunqiu Xu, Linchao Zhu, Yi Yang
Abstract: Large language models~(LLMs) are expected to be helpful, harmless, and honest. In different alignment scenarios, such as safety, confidence, and general preference alignment, binary preference data collection and reward modeling are resource-intensive but play a central role in transferring human preferences. In this work, we explore using the similarity between sampled generations and reference answers as a supplementary reward function for alignment. When unary reference answers are available, such similarity-based rewards can circumvent the need for binary preference data and explicit reward modeling. We introduce \textit{RefAlign}, a versatile REINFORCE-style alignment algorithm that does not rely on reward or reference models. RefAlign utilizes language generation evaluation metrics, such as BERTScore, between sampled generations and reference answers as surrogate rewards. Beyond general preference optimization, RefAlign can be naturally extended to diverse scenarios, including safety and confidence alignment, by combining similarity-based rewards with task-specific objectives. Across multiple scenarios, RefAlign achieves performance comparable to prior alignment methods while operating without binary preference data or reward models. The code is available at https://github.com/mzhaoshuai/RefAlign.
Authors: Theshani Nuradha, Mark M. Wilde
Abstract: Quantum channel discrimination has been studied from an information-theoretic perspective, wherein one is interested in the optimal decay rate of error probabilities as a function of the number of unknown channel accesses. In this paper, we study the query complexity of quantum channel discrimination, wherein the goal is to determine the minimum number of channel uses needed to reach a desired error probability. To this end, we show that the query complexity of binary channel discrimination depends logarithmically on the inverse error probability and inversely on the negative logarithm of the (geometric and Holevo) channel fidelity. As a special case of these findings, we precisely characterize the query complexity of discriminating two classical channels and two classical-quantum channels. Furthermore, by obtaining an optimal characterization of the sample complexity of quantum hypothesis testing, including prior probabilities, we provide a more precise characterization of query complexity when the error probability does not exceed a fixed threshold. We also provide lower and upper bounds on the query complexity of binary asymmetric channel discrimination and multiple quantum channel discrimination. For the former, the query complexity depends on the geometric R\'enyi and Petz R\'enyi channel divergences, while for the latter, it depends on the negative logarithm of the (geometric and Uhlmann) channel fidelity. For multiple channel discrimination, the upper bound scales as the logarithm of the number of channels.
Authors: Feijiang Han, Jiaming Zhang, Chuyi Deng, Jianheng Tang, Yunhuai Liu
Abstract: WebShell attacks, where malicious scripts are injected into web servers, pose a significant cybersecurity threat. Traditional ML and DL methods are often hampered by challenges such as the need for extensive training data, catastrophic forgetting, and poor generalization. Recently, Large Language Models have emerged as powerful alternatives for code-related tasks, but their potential in WebShell detection remains underexplored. In this paper, we make two contributions: (1) a comprehensive evaluation of seven LLMs, including GPT-4, LLaMA 3.1 70B, and Qwen 2.5 variants, benchmarked against traditional sequence- and graph-based methods using a dataset of 26.59K PHP scripts, and (2) the Behavioral Function-Aware Detection (BFAD) framework, designed to address the specific challenges of applying LLMs to this domain. Our framework integrates three components: a Critical Function Filter that isolates malicious PHP function calls, a Context-Aware Code Extraction strategy that captures the most behaviorally indicative code segments, and Weighted Behavioral Function Profiling that enhances in-context learning by prioritizing the most relevant demonstrations based on discriminative function-level profiles. Our results show that, stemming from their distinct analytical strategies, larger LLMs achieve near-perfect precision but lower recall, while smaller models exhibit the opposite trade-off. However, all baseline models lag behind previous SOTA methods. With the application of BFAD, the performance of all LLMs improves significantly, yielding an average F1 score increase of 13.82%. Notably, larger models now outperform SOTA benchmarks, while smaller models such as Qwen-2.5-Coder-3B achieve performance competitive with traditional methods. This work is the first to explore the feasibility and limitations of LLMs for WebShell detection and provides solutions to address the challenges in this task.
Authors: Erkan Karabulut, Paul Groth, Victoria Degeler
Abstract: Association Rule Mining (ARM) is the task of mining patterns among data features in the form of logical rules, with applications across a myriad of domains. However, high-dimensional datasets often result in an excessive number of rules, increasing execution time and negatively impacting downstream task performance. Managing this rule explosion remains a central challenge in ARM research. To address this, we introduce Aerial+, a novel neurosymbolic ARM method. Aerial+ leverages an under-complete autoencoder to create a neural representation of the data, capturing associations between features. It extracts rules from this neural representation by exploiting the model's reconstruction mechanism. Extensive evaluations on five datasets against seven baselines demonstrate that Aerial+ achieves state-of-the-art results by learning more concise, high-quality rule sets with full data coverage. When integrated into rule-based interpretable machine learning models, Aerial+ significantly reduces execution time while maintaining or improving accuracy.
Authors: Tyler Chen, Archan Ray, Akshay Seshadri, Dylan Herman, Bao Bach, Pranav Deshpande, Abhishek Som, Niraj Kumar, Marco Pistoia
Abstract: The $k$-means algorithm (Lloyd's algorithm) is a widely used method for clustering unlabeled data. A key bottleneck of the $k$-means algorithm is that each iteration requires time linear in the number of data points, which can be expensive in big data applications. This was improved in recent works proposing quantum and quantum-inspired classical algorithms to approximate the $k$-means algorithm locally, in time depending only logarithmically on the number of data points (along with data dependent parameters) [q-means: A quantum algorithm for unsupervised machine learning, Kerenidis, Landman, Luongo, and Prakash, NeurIPS 2019; Do you know what $q$-means?, Cornelissen, Doriguello, Luongo, Tang, QTML 2025]. In this work, we describe a simple randomized mini-batch $k$-means algorithm and a quantum algorithm inspired by the classical algorithm. We demonstrate that the worst case guarantees of these algorithms can significantly improve upon the bounds for algorithms in prior work. Our improvements are due to a careful use of uniform sampling, which preserves certain symmetries of the $k$-means problem that are not preserved in previous algorithms that use data norm-based sampling.
Authors: Doyoung Kim, Youngjun Lee, Joeun Kim, Jihwan Bang, Hwanjun Song, Susik Yoon, Jae-Gil Lee
Abstract: Conversational query reformulation (CQR) has become indispensable for improving retrieval in dialogue-based applications. However, existing approaches typically rely on reference passages for optimization, which are impractical to acquire in real-world scenarios. To address this limitation, we introduce a novel reference-free preference optimization framework DualReform that generates pseudo reference passages from commonly-encountered conversational datasets containing only queries and responses. DualReform attains this goal through two key innovations: (1) response-based inference, where responses serve as proxies to infer pseudo reference passages, and (2) response refinement via the dual-role of CQR, where a CQR model refines responses based on the shared objectives between response refinement and CQR. Despite not relying on reference passages, DualReform achieves 96.9--99.1% of the retrieval accuracy attainable only with reference passages and surpasses the state-of-the-art method by up to 31.6%.
Authors: Yannis Montreuil, Axel Carlier, Lai Xing Ng, Wei Tsang Ooi
Abstract: We introduce the first one-stage Top-$k$ Learning-to-Defer framework, which unifies prediction and deferral by learning a shared score-based model that selects the $k$ most cost-effective entities-labels or experts-per input. While existing one-stage L2D methods are limited to deferring to a single expert, our approach jointly optimizes prediction and deferral across multiple entities through a single end-to-end objective. We define a cost-sensitive loss and derive a novel convex surrogate that is independent of the cardinality parameter $k$, enabling generalization across Top-$k$ regimes without retraining. Our formulation recovers the Top-1 deferral policy of prior score-based methods as a special case, and we prove that our surrogate is both Bayes-consistent and $\mathcal{H}$-consistent under mild assumptions. We further introduce an adaptive variant, Top-$k(x)$, which dynamically selects the number of consulted entities per input to balance predictive accuracy and consultation cost. Experiments on CIFAR-10 and SVHN confirm that our one-stage Top-$k$ method strictly outperforms Top-1 deferral, while Top-$k(x)$ achieves superior accuracy-cost trade-offs by tailoring allocations to input complexity.
Authors: Chenxi Whitehouse, Tianlu Wang, Ping Yu, Xian Li, Jason Weston, Ilia Kulikov, Swarnadeep Saha
Abstract: The progress of AI is bottlenecked by the quality of evaluation, making powerful LLM-as-a-Judge models a core solution. The efficacy of these judges depends on their chain-of-thought reasoning, creating a critical need for methods that can effectively optimize this reasoning process. In this work, we introduce J1, a reinforcement learning framework for teaching LLM judges to think before making decisions. Our core contribution lies in converting all judgment tasks for non-verifiable and verifiable prompts into a unified format with verifiable rewards, enabling direct optimization of evaluation quality while mitigating positional bias. We then use RL to train thinking-judges at scales of 8B, 32B, and 70B and show that they obtain state-of-the-art performance across multiple benchmarks. In particular, J1-Qwen-32B, our multitasked pointwise and pairwise judge also outperforms o1-mini, o3, and a much larger 671B DeepSeek-R1 on some benchmarks, while only training on synthetic data. Through comprehensive ablations of pairwise, pointwise, and multitask J1 variants, we demonstrate the effectiveness of our approach across seed prompts, reward strategies, and training recipes. Qualitative analysis reveals that J1 develops systematic evaluation strategies, including dynamic criteria generation, reference answer creation, iterative self-correction of initial assessments, and feedback generation for low-quality responses.
Authors: Drashthi Doshi, Aditya Vema Reddy Kesari, Avishek Ghosh, Swaprava Nath, Suhas S Kowshik
Abstract: Classical federated learning (FL) assumes that the clients have a limited amount of noisy data with which they voluntarily participate and contribute towards learning a global, more accurate model in a principled manner. The learning happens in a distributed fashion without sharing the data with the center. However, these methods do not consider the incentive of an agent for participating and contributing to the process, given that data collection and running a distributed algorithm is costly for the clients. The question of rationality of contribution has been asked recently in the literature and some results exist that consider this problem. This paper addresses the question of simultaneous parameter learning and incentivizing contribution in a truthful manner, which distinguishes it from the extant literature. Our first mechanism incentivizes each client to contribute to the FL process at a Nash equilibrium and simultaneously learn the model parameters. We also ensure that agents are incentivized to truthfully reveal information in the intermediate stages of the algorithm. However, this equilibrium outcome can be away from the optimal, where clients contribute with their full data and the algorithm learns the optimal parameters. We propose a second mechanism that enables the full data contribution along with optimal parameter learning. Large scale experiments with real (federated) datasets (CIFAR-10, FEMNIST, and Twitter) show that these algorithms converge quite fast in practice, yield good welfare guarantees and better model performance for all agents.
Authors: Carl Edwards, Chi Han, Gawon Lee, Thao Nguyen, Sara Szymku\'c, Chetan Kumar Prasad, Bowen Jin, Jiawei Han, Ying Diao, Ge Liu, Hao Peng, Bartosz A. Grzybowski, Martin D. Burke, Heng Ji
Abstract: Despite their ability to understand chemical knowledge, large language models (LLMs) remain limited in their capacity to propose novel molecules with desired functions (e.g., drug-like properties). In addition, the molecules that LLMs propose can often be challenging to make, and are almost never compatible with automated synthesis approaches. To better enable the discovery of functional small molecules, LLMs need to learn a new molecular language that is more effective in predicting properties and inherently synced with automated synthesis technology. Current molecule LLMs are limited by representing molecules based on atoms. In this paper, we argue that just like tokenizing texts into meaning-bearing (sub-)word tokens instead of characters, molecules should be tokenized at the level of functional building blocks, i.e., parts of molecules that bring unique functions and serve as effective building blocks for real-world automated laboratory synthesis. This motivates us to propose mCLM, a modular Chemical-Language Model that comprises a bilingual language model that understands both natural language descriptions of functions and molecular blocks. mCLM front-loads synthesizability considerations while improving the predicted functions of molecules in a principled manner. mCLM, with only 3B parameters, achieves improvements in synthetic accessibility relative to 7 other leading generative AI methods including GPT-5. When tested on 122 out-of-distribution medicines using only building blocks/tokens that are compatible with automated modular synthesis, mCLM outperforms all baselines in property scores and synthetic accessibility. mCLM can also reason on multiple functions and iteratively self-improve to rescue drug candidates that failed late in clinical trials ("fallen angels").
Authors: Prithviraj Singh Shahani, Kaveh Eskandari Miandoab, Matthias Scheutz
Abstract: Safety guardrails in large language models (LLMs) are a critical component in preventing harmful outputs. Yet, their resilience under perturbation remains poorly understood. In this paper, we investigate the robustness of safety fine-tuning in LLMs by systematically injecting Gaussian noise into model activations. We show across multiple open-weight models that (1) Gaussian noise raises harmful-output rates (p < 0.001) by up to 27%, (2) that deeper safety fine-tuning affords no extra protection, and (3) that chain-of-thought reasoning remains largely intact. The findings reveal critical vulnerabilities in current safety alignment techniques and highlight the potential of reasoning-based and reinforcement learning approaches as promising direction for developing more robust AI safety systems. These results have important implications for real-world deployment of LLMs in safety-critical applications as these results imply that widely-deployed safety tuning methods can fail even without adversarial prompts.
Authors: Ryan Solgi, Kai Zhen, Rupak Vignesh Swaminathan, Nathan Susanj, Athanasios Mouchtaris, Siegfried Kunzmann, Zheng Zhang
Abstract: The efficient implementation of large language models (LLMs) is crucial for deployment on resource-constrained devices. Low-rank tensor compression techniques, such as tensor-train (TT) networks, have been widely studied for over-parameterized neural networks. However, their applications to compress pre-trained large language models (LLMs) for downstream tasks (post-training) remains challenging due to the high-rank nature of pre-trained LLMs and the lack of access to pretraining data. In this study, we investigate low-rank tensorized LLMs during fine-tuning and propose sparse augmented tensor networks (Saten) to enhance their performance. The proposed Saten framework enables full model compression. Experimental results demonstrate that Saten enhances both accuracy and compression efficiency in tensorized language models, achieving state-of-the-art performance.
Authors: Jinyang Wu, Chonghua Liao, Mingkuan Feng, Shuai Zhang, Zhengqi Wen, Haoran Luo, Ling Yang, Huazhe Xu, Jianhua Tao
Abstract: Reinforcement learning (RL) has emerged as an effective paradigm for enhancing model reasoning. However, existing RL methods like GRPO often rely on unstructured self-sampling to fit scalar rewards, often producing inefficient rollouts that fail to capture transferable problem-solving strategies. To address these limitations, we propose **TemplateRL**, a structured template-guided RL framework that augments policy optimization with explicit template guidance. Our approach first constructs a problem-solving template library via MCTS on a small seed set, then seamlessly integrates this high-level structured guidance into RL training. By guiding rollout generation to align with proven template structures, TemplateRL significantly improves high-quality trajectory hit rates while reducing ineffective exploration. This structure-guided design steers the policy toward validated strategic patterns, stabilizing training dynamics, and enhancing RL sampling efficiency. Notably, the explicit template library is interpretable, editable, and supports online updates-enabling continuous updates during both training and inference. Extensive experiments demonstrate that TemplateRL outperforms GRPO by 99% on AIME and 41% on AMC, with superior stability on weak models and remarkable cross-domain generalization, highlighting its potential for broader tasks.
Authors: Bohao Wu, Qingyun Wang, Yue Guo
Abstract: Personalizing jargon detection and explanation is essential for making technical documents accessible to readers with diverse disciplinary backgrounds. However, tailoring models to individual users typically requires substantial annotation efforts and computational resources due to user-specific finetuning. To address this, we present a systematic study of personalized jargon detection, focusing on methods that are both efficient and scalable for real-world deployment. We explore two personalization strategies: (1) lightweight finetuning using Low-Rank Adaptation (LoRA) on open-source models, and (2) personalized prompting, which tailors model behavior at inference time without retaining. To reflect realistic constraints, we also investigate semi-supervised approaches that combine limited annotated data with self-supervised learning from users' publications. Our personalized LoRA model outperforms GPT-4 with contextual prompting by 21.4% in F1 score and exceeds the best performing oracle baseline by 8.3%. Remarkably, our method achieves comparable performance using only 10% of the annotated training data, demonstrating its practicality for resource-constrained settings. Our study offers the first work to systematically explore efficient, low-resource personalization of jargon detection using open-source language models, offering a practical path toward scalable, user-adaptive NLP system.
Authors: Ruizhe Li, Chen Chen, Yuchen Hu, Yanjun Gao, Xi Wang, Emine Yilmaz
Abstract: Retrieval-Augmented Generation (RAG) leverages large language models (LLMs) combined with external contexts to enhance the accuracy and reliability of generated responses. However, reliably attributing generated content to specific context segments, context attribution, remains challenging due to the computationally intensive nature of current methods, which often require extensive fine-tuning or human annotation. In this work, we introduce a novel Jensen-Shannon Divergence driven method to Attribute Response to Context (ARC-JSD), enabling efficient and accurate identification of essential context sentences without additional fine-tuning, gradient-calculation or surrogate modelling. Evaluations on a wide range of RAG benchmarks, such as TyDi QA, Hotpot QA, and Musique, using instruction-tuned LLMs in different scales demonstrate superior accuracy and significant computational efficiency improvements compared to the previous surrogate-based method. Furthermore, our mechanistic analysis reveals specific attention heads and multilayer perceptron (MLP) layers responsible for context attribution, providing valuable insights into the internal workings of RAG models and how they affect RAG behaviours. Our code is available at https://github.com/ruizheliUOA/ARC_JSD.
Authors: Florentin Beck, William Rudman, Carsten Eickhoff
Abstract: Large Language Models (LLMs) present significant computational and memory challenges due to their extensive size, making pruning essential for their efficient deployment. Existing one-shot pruning methods often apply uniform sparsity constraints across layers or within each layer, resulting in suboptimal performance, especially at high sparsity ratios. This work introduces TRIM (Targeted Row-wise Iterative Metric-driven pruning), a novel approach that applies varying sparsity ratios to individual output dimensions (rows) within each layer. TRIM employs an iterative adjustment process guided by quality metrics to optimize dimension-wise sparsity allocation, focusing on reducing variance in quality retention across outputs to preserve critical information. TRIM can be seamlessly integrated with existing layer-wise pruning strategies. Our evaluations on perplexity and zero-shot tasks across diverse LLM families (Qwen2.5, LLaMA-2, and OPT) and sparsity levels demonstrate that TRIM achieves new state-of-the-art results and enhances stability. For instance, at 80% sparsity, TRIM reduces perplexity by 48% for Qwen2.5-14B and over 90% for OPT-13B compared to baseline methods. We conclude that fine-grained, dimension-wise sparsity adaptation is crucial for pushing the limits of extreme LLM compression. Code available at: https://github.com/flobk/TRIM
Authors: Trinity Chung, Yuchen Shen, Nathan C. L. Kong, Aran Nayebi
Abstract: Tactile sensing remains far less understood in neuroscience and less effective in artificial systems compared to more mature modalities such as vision and language. We bridge these gaps by introducing a novel Encoder-Attender-Decoder (EAD) framework to systematically explore the space of task-optimized temporal neural networks trained on realistic tactile input sequences from a customized rodent whisker-array simulator. We identify convolutional recurrent neural networks (ConvRNNs) as superior encoders to purely feedforward and state-space architectures for tactile categorization. Crucially, these ConvRNN-encoder-based EAD models achieve neural representations closely matching rodent somatosensory cortex, saturating the explainable neural variability and revealing a clear linear relationship between supervised categorization performance and neural alignment. Furthermore, contrastive self-supervised ConvRNN-encoder-based EADs, trained with tactile-specific augmentations, match supervised neural fits, serving as an ethologically-relevant, label-free proxy. For neuroscience, our findings highlight nonlinear recurrent processing as important for general-purpose tactile representations in somatosensory cortex, providing the first quantitative characterization of the underlying inductive biases in this system. For embodied AI, our results emphasize the importance of recurrent EAD architectures to handle realistic tactile inputs, along with tailored self-supervised learning methods for achieving robust tactile perception with the same type of sensors animals use to sense in unstructured environments.
Authors: Amitai Yacobi, Nir Ben-Ari, Ronen Talmon, Uri Shaham
Abstract: Learning shared representations is a primary area of multimodal representation learning. The current approaches to achieve a shared embedding space rely heavily on paired samples from each modality, which are significantly harder to obtain than unpaired ones. In this work, we demonstrate that shared representations can be learned almost exclusively from unpaired data. Our arguments are grounded in the spectral embeddings of the random walk matrices constructed independently from each unimodal representation. Empirical results in computer vision and natural language processing domains support its potential, revealing the effectiveness of unpaired data in capturing meaningful cross-modal relations, demonstrating high capabilities in retrieval tasks, generation, arithmetics, zero-shot, and cross-domain classification. This work, to the best of our knowledge, is the first to demonstrate these capabilities almost exclusively from unpaired samples, giving rise to a cross-modal embedding that could be viewed as universal, i.e., independent of the specific modalities of the data. Our project page: https://shaham-lab.github.io/SUE_page.
Authors: Yunkee Chae, Kyogu Lee
Abstract: We present MGE-LDM, a unified latent diffusion framework for simultaneous music generation, source imputation, and query-driven source separation. Unlike prior approaches constrained to fixed instrument classes, MGE-LDM learns a joint distribution over full mixtures, submixtures, and individual stems within a single compact latent diffusion model. At inference, MGE-LDM enables (1) complete mixture generation, (2) partial generation (i.e., source imputation), and (3) text-conditioned extraction of arbitrary sources. By formulating both separation and imputation as conditional inpainting tasks in the latent space, our approach supports flexible, class-agnostic manipulation of arbitrary instrument sources. Notably, MGE-LDM can be trained jointly across heterogeneous multi-track datasets (e.g., Slakh2100, MUSDB18, MoisesDB) without relying on predefined instrument categories. Audio samples are available at our project page: https://yoongi43.github.io/MGELDM_Samples/.
Authors: Xiao Yu, Baolin Peng, Ruize Xu, Michel Galley, Hao Cheng, Suman Nath, Jianfeng Gao, Zhou Yu
Abstract: Recent progress in reasoning with large language models (LLMs), such as DeepSeek-R1, demonstrates impressive capabilities in domains like mathematics and coding, by exhibiting complex cognitive behaviors such as verification, goal decomposition, and self-reflection. However, it is unclear what behavior is effective and what behavior is missing for long-horizon AI agents tasks. In this work, we propose Dyna-Think, a thinking framework that integrates planning with an internal world model with reasoning and acting to enhance AI agent performance. To enable Dyna-Think, we propose Dyna-Think Imitation Learning (DIT) and Dyna-Think Dyna Training (DDT). To initialize a policy with Dyna-Think, DIT reconstructs the thinking process of R1 to focus on performing world model simulation relevant to the proposed (and planned) action, and trains the policy using this reconstructed data. To enhance Dyna-Think, DDT uses a two-stage training process to first improve the agent's world modeling ability via objectives such as state prediction or critique generation, and then improve the agent's action via policy training. We evaluate our methods on OSWorld and WindowsAgentArena, and demonstrate that Dyna-Think improves the agent's in-domain and out-of-domain performance, achieving similar best-of-n performance compared to R1 while generating 2x less tokens on average. Our extensive empirical studies reveal that 1) using critique generation for world model training is effective to improve policy performance; and 2) AI agents with better performance correlate with better world modeling abilities. We believe our results suggest a promising research direction to integrate world model simulation into AI agents to enhance their reasoning, planning, and acting capabilities.
Authors: Sarthak Kumar Maharana, Saksham Singh Kushwaha, Baoming Zhang, Adrian Rodriguez, Songtao Wei, Yapeng Tian, Yunhui Guo
Abstract: While recent audio-visual models have demonstrated impressive performance, their robustness to distributional shifts at test-time remains not fully understood. Existing robustness benchmarks mainly focus on single modalities, making them insufficient for thoroughly assessing the robustness of audio-visual models. Motivated by real-world scenarios where shifts can occur $\textit{simultaneously}$ in both audio and visual modalities, we introduce $\texttt{AVROBUSTBENCH}$, a comprehensive benchmark designed to evaluate the test-time robustness of audio-visual recognition models. $\texttt{AVROBUSTBENCH}$ comprises four audio-visual benchmark datasets, $\texttt{AUDIOSET-2C}$, $\texttt{VGGSOUND-2C}$, $\texttt{KINETICS-2C}$, and $\texttt{EPICKITCHENS-2C}$, each incorporating 75 bimodal audio-visual corruptions that are $\textit{co-occurring}$ and $\textit{correlated}$. Through extensive evaluations, we observe that state-of-the-art supervised and self-supervised audio-visual models exhibit declining robustness as corruption severity increases. Furthermore, online test-time adaptation (TTA) methods, on $\texttt{VGGSOUND-2C}$ and $\texttt{KINETICS-2C}$, offer minimal improvements in performance under bimodal corruptions. We further propose $\texttt{AV2C}$, a simple TTA approach enabling on-the-fly cross-modal fusion by penalizing high-entropy samples, which achieves improvements on $\texttt{VGGSOUND-2C}$. We hope that $\texttt{AVROBUSTBENCH}$ will steer the development of more effective and robust audio-visual TTA approaches. Our code is available $\href{https://github.com/sarthaxxxxx/AV-C-Robustness-Benchmark}{here}$.
URLs: https://github.com/sarthaxxxxx/AV-C-Robustness-Benchmark
Authors: Zicheng Xu, Guanchu Wang, Guangyao Zheng, Yu-Neng Chuang, Alexander Szalay, Xia Hu, Vladimir Braverman
Abstract: Although Large Language Models (LLMs) perform well in general fields, they exhibit a confidence distortion problem on multi-choice question-answering (MCQA), particularly as the number of answer choices increases. Specifically, on MCQA with many choices, LLMs suffer from under-confidence in correct predictions and over-confidence in incorrect ones, leading to a substantially degraded performance. To solve this problem, we propose Self-ensemble in this work. Our method splits the choices into several groups and ensembles LLM predictions across these groups to reach a final decision. The advantage of Self-ensemble is its plug-and-play nature, where it can be integrated into existing LLM architecture based on a designed attention mask and positional encoding, without requiring labeled datasets for parameter tuning. Experimental results on three LLMs and datasets demonstrate that Self-ensemble comprehensively addresses the confidence distortion problem of LLMs, outperforming standard inference as well as baseline methods.
Authors: Xinyan Zhao, Yi-Ching Tang, Akshita Singh, Victor J Cantu, KwanHo An, Junseok Lee, Adam E Stogsdill, Ibraheem M Hamdi, Ashwin Kumar Ramesh, Zhiqiang An, Xiaoqian Jiang, Yejin Kim
Abstract: We introduce AbBiBench (Antibody Binding Benchmarking), a benchmarking framework for antibody binding affinity maturation and design. Unlike previous strategies that evaluate antibodies in isolation, typically by comparing them to natural sequences with metrics such as amino acid recovery rate or structural RMSD, AbBiBench instead treats the antibody-antigen (Ab-Ag) complex as the fundamental unit. It evaluates an antibody design's binding potential by measuring how well a protein model scores the full Ab-Ag complex. We first curate, standardize, and share more than 184,500 experimental measurements of antibody mutants across 14 antibodies and 9 antigens-including influenza, lysozyme, HER2, VEGF, integrin, Ang2, and SARS-CoV-2-covering both heavy-chain and light-chain mutations. Using these datasets, we systematically compare 15 protein models including masked language models, autoregressive language models, inverse folding models, diffusion-based generative models, and geometric graph models by comparing the correlation between model likelihood and experimental affinity values. Additionally, to demonstrate AbBiBench's generative utility, we apply it to antibody F045-092 in order to introduce binding to influenza H1N1. We sample new antibody variants with the top-performing models, rank them by the structural integrity and biophysical properties of the Ab-Ag complex, and assess them with in vitro ELISA binding assays. Our findings show that structure-conditioned inverse folding models outperform others in both affinity correlation and generation tasks. Overall, AbBiBench provides a unified, biologically grounded evaluation framework to facilitate the development of more effective, function-aware antibody design models.
Authors: Yuyang Zhou, Guang Cheng, Kang Du, Zihan Chen, Tian Qin, Yuyu Zhao
Abstract: The proliferation of UAVs has enabled a wide range of mission-critical applications and is becoming a cornerstone of low-altitude networks, supporting smart cities, emergency response, and more. However, the open wireless environment, dynamic topology, and resource constraints of UAVs expose low-altitude networks to severe DoS threats. Traditional defense approaches, which rely on fixed configurations or centralized decision-making, cannot effectively respond to the rapidly changing conditions in UAV swarm environments. To address these challenges, we propose a novel federated multi-agent deep reinforcement learning (FMADRL)-driven moving target defense (MTD) framework for proactive DoS mitigation in low-altitude networks. Specifically, we design lightweight and coordinated MTD mechanisms, including leader switching, route mutation, and frequency hopping, to disrupt attacker efforts and enhance network resilience. The defense problem is formulated as a multi-agent partially observable Markov decision process, capturing the uncertain nature of UAV swarms under attack. Each UAV is equipped with a policy agent that autonomously selects MTD actions based on partial observations and local experiences. By employing a policy gradient-based algorithm, UAVs collaboratively optimize their policies via reward-weighted aggregation. Extensive simulations demonstrate that our approach significantly outperforms state-of-the-art baselines, achieving up to a 34.6% improvement in attack mitigation rate, a reduction in average recovery time of up to 94.6%, and decreases in energy consumption and defense cost by as much as 29.3% and 98.3%, respectively, under various DoS attack strategies. These results highlight the potential of intelligent, distributed defense mechanisms to protect low-altitude networks, paving the way for reliable and scalable low-altitude economy.
Authors: Changsheng Wang, Chongyu Fan, Yihua Zhang, Jinghan Jia, Dennis Wei, Parikshit Ram, Nathalie Baracaldo, Sijia Liu
Abstract: Recent advances in large reasoning models (LRMs) have enabled strong chain-of-thought (CoT) generation through test-time computation. While these multi-step reasoning capabilities represent a major milestone in language model performance, they also introduce new safety risks. In this work, we present the first systematic study to revisit the problem of machine unlearning in the context of LRMs. Machine unlearning refers to the process of removing the influence of sensitive, harmful, or undesired data or knowledge from a trained model without full retraining. We show that conventional unlearning algorithms, originally designed for non-reasoning models, are inadequate for LRMs. In particular, even when final answers are successfully erased, sensitive information often persists within the intermediate reasoning steps, i.e., CoT trajectories. To address this challenge, we extend conventional unlearning and propose Reasoning-aware Representation Misdirection for Unlearning ($R^2MU$), a novel method that effectively suppresses sensitive reasoning traces and prevents the generation of associated final answers, while preserving the model's reasoning ability. Our experiments demonstrate that $R^2MU$ significantly reduces sensitive information leakage within reasoning traces and achieves strong performance across both safety and reasoning benchmarks, evaluated on state-of-the-art models such as DeepSeek-R1-Distill-LLaMA-8B and DeepSeek-R1-Distill-Qwen-14B.
Authors: Xiang Cheng, Chengyan Pan, Minjun Zhao, Deyang Li, Fangchao Liu, Xinyu Zhang, Xiao Zhang, Yong Liu
Abstract: In-Context Learning (ICL) is an essential emergent ability of Large Language Models (LLMs), and recent studies introduce Chain-of-Thought (CoT) to exemplars of ICL to enhance the reasoning capability, especially in mathematics tasks. However, given the continuous advancement of model capabilities, it remains unclear whether CoT exemplars still benefit recent, stronger models in such tasks. Through systematic experiments, we find that for recent strong models such as the Qwen2.5 series, adding traditional CoT exemplars does not improve reasoning performance compared to Zero-Shot CoT. Instead, their primary function is to align the output format with human expectations. We further investigate the effectiveness of enhanced CoT exemplars, constructed using answers from advanced models such as \texttt{Qwen2.5-Max} and \texttt{DeepSeek-R1}. Experimental results indicate that these enhanced exemplars still fail to improve the model's reasoning performance. Further analysis reveals that models tend to ignore the exemplars and focus primarily on the instructions, leading to no observable gain in reasoning ability. Overall, our findings highlight the limitations of the current ICL+CoT framework in mathematical reasoning, calling for a re-examination of the ICL paradigm and the definition of exemplars.
Authors: Shirong Xu, Jingnan Zhang, Junhui Wang
Abstract: Paired comparison data, where users evaluate items in pairs, play a central role in ranking and preference learning tasks. While ordinal comparison data intuitively offer richer information than binary comparisons, this paper challenges that conventional wisdom. We propose a general parametric framework for modeling ordinal paired comparisons without ties. The model adopts a generalized additive structure, featuring a link function that quantifies the preference difference between two items and a pattern function that governs the distribution over ordinal response levels. This framework encompasses classical binary comparison models as special cases, by treating binary responses as binarized versions of ordinal data. Within this framework, we show that binarizing ordinal data can significantly improve the accuracy of ranking recovery. Specifically, we prove that under the counting algorithm, the ranking error associated with binary comparisons exhibits a faster exponential convergence rate than that of ordinal data. Furthermore, we characterize a substantial performance gap between binary and ordinal data in terms of a signal-to-noise ratio (SNR) determined by the pattern function. We identify the pattern function that minimizes the SNR and maximizes the benefit of binarization. Extensive simulations and a real application on the MovieLens dataset further corroborate our theoretical findings.
Authors: Xiangrui Liu, Man Luo, Agneet Chatterjee, Hua Wei, Chitta Baral, Yezhou Yang
Abstract: Hallucination is a long-standing problem that has been actively investigated in Vision-Language Models (VLMs). Existing research commonly attributes hallucinations to technical limitations or sycophancy bias, where the latter means the models tend to generate incorrect answers to align with user expectations. However, these explanations primarily focus on technical or externally driven factors, and may have neglected the possibility that hallucination behaviours might mirror cognitive biases observed in human psychology. In this work, we introduce a psychological taxonomy, categorizing VLMs' cognitive biases that lead to hallucinations, including sycophancy, logical inconsistency, and a newly identified VLMs behaviour: appeal to authority. To systematically analyze these behaviours, we design AIpsych, a scalable benchmark that reveals psychological tendencies in model response patterns. Leveraging this benchmark, we investigate how variations in model architecture and parameter size influence model behaviour when responding to strategically manipulated questions. Our experiments reveal that as model size increases, VLMs exhibit stronger sycophantic tendencies but reduced authority bias, suggesting increasing competence but a potential erosion of response integrity. A human subject study further validates our hypotheses and highlights key behavioural differences between VLMs and human respondents. This work suggests a new perspective for understanding hallucination in VLMs and highlights the importance of integrating psychological principles into model evaluation.
Authors: Yun Qu, Qi Wang, Yixiu Mao, Vincent Tao Hu, Bj\"orn Ommer, Xiangyang Ji
Abstract: Recent advances have witnessed the effectiveness of reinforcement learning (RL) finetuning in enhancing the reasoning capabilities of large language models (LLMs). The optimization process often requires numerous iterations to achieve satisfactory performance, resulting in high computational costs due to the need for frequent prompt evaluations under intensive LLM interactions and repeated policy updates. Appropriate online prompt selection methods reduce iteration steps by prioritizing informative prompts during training, while the pipeline's reliance on exhaustive prompt evaluation and subset selection for optimization still incurs substantial computational overhead due to frequent LLM inference calls. Distinguished from these direct evaluate-then-select schemes, this work investigates iterative approximate evaluation for arbitrary prompts and introduces Model Predictive Prompt Selection (MoPPS), a Bayesian risk-predictive framework that online estimates prompt difficulty without requiring costly LLM interactions. Technically, MoPPS models each prompt's success rate as a latent variable, performs streaming Bayesian inference, and employs posterior sampling in a constructed multi-armed bandit machine, enabling sample efficient and adaptive prompt selection. Extensive experiments across mathematics, planning, and vision-based geometry tasks show that MoPPS reliably predicts prompt difficulty and accelerates training with significantly reduced LLM rollouts. Our code is available at https://github.com/thu-rllab/MoPPS.
Authors: Ondrej Bohdal, Mete Ozay, Jijoong Moon, Kyeng-Hun Lee, Hyeonmok Ko, Umberto Michieli
Abstract: Adapter parameters provide a mechanism to modify the behavior of machine learning models and have gained significant popularity in the context of large language models (LLMs) and generative AI. These parameters can be merged to support multiple tasks via a process known as task merging. However, prior work on merging in LLMs, particularly in natural language processing, has been limited to scenarios where each test example addresses only a single task. In this paper, we focus on on-device settings and study the problem of text-based compositional multi-tasking, where each test example involves the simultaneous execution of multiple tasks. For instance, generating a translated summary of a long text requires solving both translation and summarization tasks concurrently. To facilitate research in this setting, we propose a benchmark comprising four practically relevant compositional tasks. We also present an efficient method (Learnable Calibration) tailored for on-device applications, where computational resources are limited, emphasizing the need for solutions that are both resource-efficient and high-performing. Our contributions lay the groundwork for advancing the capabilities of LLMs in real-world multi-tasking scenarios, expanding their applicability to complex, resource-constrained use cases.
Authors: Santosh Patapati, Trisanth Srinivasan
Abstract: Autonomous vehicles must react in milliseconds while reasoning about road geometry and traffic intent to navigate complex situations. We introduce NovaDrive, a single-branch vision-language architecture that processes front-camera images, HD-map tiles, LiDAR depth, and textual waypoints in a single branch. A lightweight, two-stage cross-attention block first aligns waypoint tokens with the HD map, then refines attention over fine-grained image and depth patches. Coupled with a novel smoothness loss that discourages abrupt steering and speed changes, this design eliminates the need for recurrent memory. We fine-tune the top 15 layers of an 11B LLaMA-3.2 vision-language backbone, enabling real-time inference. On the nuScenes / Waymo subset of the MD-NEX Outdoor benchmark, NovaDrive raises success rate to 84% (+4%), boosts path-efficiency (SPL) to 0.66 (+0.11), and reduces collision frequency from 2.6% to 1.2% (-1.4%) relative to the previous state-of-the-art. Our ablations confirm that waypoint tokens, partial VLM fine-tuning, and the cross-attention fusion each contribute the most to these gains. Beyond safety, NovaDrive's shorter routes (resulting from the novel smoothness loss) translate to lower fuel or battery usage, pointing toward leaner, more easily updated driving stacks. NovaDrive can be extended to other embodied-AI domains as well.
Authors: Santosh Patapati, Trisanth Srinivasan, Murari Ambati
Abstract: Autonomous cars need geometric accuracy and semantic understanding to navigate complex environments, yet most stacks handle them separately. We present XYZ-Drive, a single vision-language model that reads a front-camera frame, a 25m $\times$ 25m overhead map, and the next waypoint, then outputs steering and speed. A lightweight goal-centered cross-attention layer lets waypoint tokens highlight relevant image and map patches, supporting both action and textual explanations, before the fused tokens enter a partially fine-tuned LLaMA-3.2 11B model. On the MD-NEX Outdoor-Driving benchmark XYZ-Drive attains 95% success and 0.80 Success weighted by Path Length (SPL), surpassing PhysNav-DG by 15%. and halving collisions, all while significantly improving efficiency by using only a single branch. Sixteen ablations explain the gains. Removing any modality (vision, waypoint, map) drops success by up to 11%, confirming their complementary roles and rich connections. Replacing goal-centered attention with simple concatenation cuts 3% in performance, showing query-based fusion injects map knowledge more effectively. Keeping the transformer frozen loses 5%, showing the importance of fine-tuning when applying VLMs for specific tasks such as autonomous driving. Coarsening map resolution from 10 cm to 40 cm blurs lane edges and raises crash rate. Overall, these results demonstrate that early, token-level fusion of intent and map layout enables accurate, transparent, real-time driving.
Authors: Sebastian Wind, Jeta Sopa, Daniel Truhn, Mahshad Lotfinia, Tri-Thien Nguyen, Keno Bressem, Lisa Adams, Mirabela Rusu, Harald K\"ostler, Gerhard Wellein, Andreas Maier, Soroosh Tayebi Arasteh
Abstract: Clinical decision-making in radiology increasingly benefits from artificial intelligence (AI), particularly through large language models (LLMs). However, traditional retrieval-augmented generation (RAG) systems for radiology question answering (QA) typically rely on single-step retrieval, limiting their ability to handle complex clinical reasoning tasks. Here we propose radiology Retrieval and Reasoning (RaR), a multi-step retrieval and reasoning framework designed to improve diagnostic accuracy, factual consistency, and clinical reliability of LLMs in radiology question answering. We evaluated 25 LLMs spanning diverse architectures, parameter scales (0.5B to >670B), and training paradigms (general-purpose, reasoning-optimized, clinically fine-tuned), using 104 expert-curated radiology questions from previously established RSNA-RadioQA and ExtendedQA datasets. To assess generalizability, we additionally tested on an unseen internal dataset of 65 real-world radiology board examination questions. RaR significantly improved mean diagnostic accuracy over zero-shot prompting and conventional online RAG. The greatest gains occurred in small-scale models, while very large models (>200B parameters) demonstrated minimal changes (<2% improvement). Additionally, RaR retrieval reduced hallucinations (mean 9.4%) and retrieved clinically relevant context in 46% of cases, substantially aiding factual grounding. Even clinically fine-tuned models showed gains from RaR (e.g., MedGemma-27B), indicating that retrieval remains beneficial despite embedded domain knowledge. These results highlight the potential of RaR to enhance factuality and diagnostic accuracy in radiology QA, warranting future studies to validate their clinical utility. All datasets, code, and the full RaR framework are publicly available to support open research and clinical translation.
Authors: Zhihao Luo, Wentao Yan, Jingyu Gong, Min Wang, Zhizhong Zhang, Xuhong Wang, Yuan Xie, Xin Tan
Abstract: Recent advances in Graphical User Interface (GUI) and embodied navigation have driven progress, yet these domains have largely evolved in isolation, with disparate datasets and training paradigms. In this paper, we observe that both tasks can be formulated as Markov Decision Processes (MDP), suggesting a foundational principle for their unification. Hence, we present NaviMaster, the first unified agent capable of unifying GUI navigation and embodied navigation within a single framework. Specifically, NaviMaster (i) proposes a visual-target trajectory collection pipeline that generates trajectories for both GUI and embodied tasks using a single formulation. (ii) employs a unified reinforcement learning framework on the mix data to improve generalization. (iii) designs a novel distance-aware reward to ensure efficient learning from the trajectories. Through extensive experiments on out-of-domain benchmarks, NaviMaster is shown to outperform state-of-the-art agents in GUI navigation, spatial affordance prediction, and embodied navigation. Ablation studies further demonstrate the efficacy of our unified training strategy, data mixing strategy, and reward design.
Authors: Yinghao Zhu, Yifan Qi, Zixiang Wang, Lei Gu, Dehao Sui, Haoran Hu, Xichen Zhang, Ziyi He, Junjun He, Liantao Ma, Lequan Yu
Abstract: The rapid proliferation of scientific knowledge presents a grand challenge: transforming this vast repository of information into an active engine for discovery, especially in high-stakes domains like healthcare. Current AI agents, however, are constrained by static, predefined strategies, limiting their ability to navigate the complex, evolving ecosystem of scientific research. This paper introduces HealthFlow, a self-evolving AI agent that overcomes this limitation through a novel meta-level evolution mechanism. HealthFlow autonomously refines its high-level problem-solving policies by distilling procedural successes and failures into a durable, structured knowledge base, enabling it to learn not just how to use tools, but how to strategize. To anchor our research and provide a community resource, we introduce EHRFlowBench, a new benchmark featuring complex health data analysis tasks systematically derived from peer-reviewed scientific literature. Our experiments demonstrate that HealthFlow's self-evolving approach significantly outperforms state-of-the-art agent frameworks. This work offers a new paradigm for intelligent systems that can learn to operationalize the procedural knowledge embedded in scientific content, marking a critical step toward more autonomous and effective AI for healthcare scientific discovery.
Authors: Brendan van Rooyen
Abstract: The scientific process is a means to turn the results of experiments into knowledge about the world in which we live. Much research effort has been directed toward automating this process. To do this, one needs to formulate the scientific process in a precise mathematical language. This paper outlines one such language. What is presented here is hardly new. The material is based on great thinkers from times past well as more modern contributions. The novel contributions of this paper are: A new general data processing inequality, a bias variance decomposition for canonical losses, streamlined proofs of the Blackwell-Sherman-Stein and Randomization theorems. means of calculating deficiency through linear programming.
Authors: Timothy Oladunni, Ehimen Aneni
Abstract: The limitations of unimodal deep learning models, particularly their tendency to overfit and limited generalizability, have renewed interest in multimodal fusion strategies. Multimodal deep neural networks (MDNN) have the capability of integrating diverse data domains and offer a promising solution for robust and accurate predictions. However, the optimal fusion strategy, intermediate fusion (feature-level) versus late fusion (decision-level) remains insufficiently examined, especially in high-stakes clinical contexts such as ECG-based cardiovascular disease (CVD) classification. This study investigates the comparative effectiveness of intermediate and late fusion strategies using ECG signals across three domains: time, frequency, and time-frequency. A series of experiments were conducted to identify the highest-performing fusion architecture. Results demonstrate that intermediate fusion consistently outperformed late fusion, achieving a peak accuracy of 97 percent, with Cohen's d > 0.8 relative to standalone models and d = 0.40 compared to late fusion. Interpretability analyses using saliency maps reveal that both models align with the discretized ECG signals. Statistical dependency between the discretized ECG signals and corresponding saliency maps for each class was confirmed using Mutual Information (MI). The proposed ECG domain-based multimodal model offers superior predictive capability and enhanced explainability, crucial attributes in medical AI applications, surpassing state-of-the-art models.
Authors: Zhongang Cai, Yubo Wang, Qingping Sun, Ruisi Wang, Chenyang Gu, Wanqi Yin, Zhiqian Lin, Zhitao Yang, Chen Wei, Xuanke Shi, Kewang Deng, Xiaoyang Han, Zukai Chen, Jiaqi Li, Xiangyu Fan, Hanming Deng, Lewei Lu, Bo Li, Ziwei Liu, Quan Wang, Dahua Lin, Lei Yang
Abstract: Multimodal models have achieved remarkable progress in recent years. Nevertheless, they continue to exhibit notable limitations in spatial understanding and reasoning, the very capability that anchors artificial general intelligence in the physical world. With the recent release of GPT-5, allegedly the most powerful AI model to date, it is timely to examine where the leading models (GPT, Gemini, Grok, Seed, Qwen, and Intern) stand on the path toward spatial intelligence. We first propose a holistic taxonomy of spatial tasks that unifies existing benchmarks and a standardized protocol for the fair evaluation of state-of-the-art proprietary and open-source models across eight key benchmarks, at a cost exceeding ten billion total tokens. Our empirical study then reveals that (1) GPT-5 demonstrates unprecedented strength in spatial intelligence (SI), yet (2) still falls short of human performance significantly across a broad spectrum of SI-tasks. Moreover, we (3) show that SI-tasks expose greater model capability deficiency than non-SI tasks, to the extent that (4) proprietary models do not exhibit a decisive advantage when facing the most difficult ones. In addition, we conduct a qualitative evaluation across a diverse set of scenarios that are intuitive for humans, yet fail even the most advanced multimodal models.
Authors: Murilo Vinicius da Silva, Matheus Hipolito Carvalho, Juliano Negri, Thiago Segreto, Gustavo J. G. Lahr, Ricardo V. Godoy, Marcelo Becker
Abstract: In hazardous and remote environments, robotic systems perform critical tasks demanding improved safety and efficiency. Among these, quadruped robots with manipulator arms offer mobility and versatility for complex operations. However, teleoperating quadruped robots is challenging due to the lack of integrated obstacle detection and intuitive control methods for the robotic arm, increasing collision risks in confined or dynamically changing workspaces. Teleoperation via joysticks or pads can be non-intuitive and demands a high level of expertise due to its complexity, culminating in a high cognitive load on the operator. To address this challenge, a teleoperation approach that directly maps human arm movements to the robotic manipulator offers a simpler and more accessible solution. This work proposes an intuitive remote control by leveraging a vision-based pose estimation pipeline that utilizes an external camera with a machine learning-based model to detect the operator's wrist position. The system maps these wrist movements into robotic arm commands to control the robot's arm in real-time. A trajectory planner ensures safe teleoperation by detecting and preventing collisions with both obstacles and the robotic arm itself. The system was validated on the real robot, demonstrating robust performance in real-time control. This teleoperation approach provides a cost-effective solution for industrial applications where safety, precision, and ease of use are paramount, ensuring reliable and intuitive robotic control in high-risk environments.
Authors: Marco S. Tayar, Lucas K. de Oliveira, Felipe Andrade G. Tommaselli, Juliano D. Negri, Thiago H. Segreto, Ricardo V. Godoy, Marcelo Becker
Abstract: Autonomous UAV inspection of confined industrial infrastructure, such as ventilation ducts, demands robust navigation policies where collisions are unacceptable. While Deep Reinforcement Learning (DRL) offers a powerful paradigm for developing such policies, it presents a critical trade-off between on-policy and off-policy algorithms. Off-policy methods promise high sample efficiency, a vital trait for minimizing costly and unsafe real-world fine-tuning. In contrast, on-policy methods often exhibit greater training stability, which is essential for reliable convergence in hazard-dense environments. This paper directly investigates this trade-off by comparing a leading on-policy algorithm, Proximal Policy Optimization (PPO), against an off-policy counterpart, Soft Actor-Critic (SAC), for precision flight in procedurally generated ducts within a high-fidelity simulator. Our results show that PPO consistently learned a stable, collision-free policy that completed the entire course. In contrast, SAC failed to find a complete solution, converging to a suboptimal policy that navigated only the initial segments before failure. This work provides evidence that for high-precision, safety-critical navigation tasks, the reliable convergence of a well-established on-policy method can be more decisive than the nominal sample efficiency of an off-policy algorithm.
Authors: Dilermando Almeida, Guilherme Lazzarini, Juliano Negri, Thiago H. Segreto, Ricardo V. Godoy, Marcelo Becker
Abstract: This paper presents a deep learning framework designed to enhance the grasping capabilities of quadrupeds equipped with arms, with a focus on improving precision and adaptability. Our approach centers on a sim-to-real methodology that minimizes reliance on physical data collection. We developed a pipeline within the Genesis simulation environment to generate a synthetic dataset of grasp attempts on common objects. By simulating thousands of interactions from various perspectives, we created pixel-wise annotated grasp-quality maps to serve as the ground truth for our model. This dataset was used to train a custom CNN with a U-Net-like architecture that processes multi-modal input from an onboard RGB and depth cameras, including RGB images, depth maps, segmentation masks, and surface normal maps. The trained model outputs a grasp-quality heatmap to identify the optimal grasp point. We validated the complete framework on a four-legged robot. The system successfully executed a full loco-manipulation task: autonomously navigating to a target object, perceiving it with its sensors, predicting the optimal grasp pose using our model, and performing a precise grasp. This work proves that leveraging simulated training with advanced sensing offers a scalable and effective solution for object handling.
Authors: Pedro Antonio Rabelo Saraiva, Enzo Ferreira de Souza, Joao Manoel Herrera Pinheiro, Thiago H. Segreto, Ricardo V. Godoy, Marcelo Becker
Abstract: This paper addresses the challenges of data scarcity and high acquisition costs in training robust object detection models for complex industrial environments, such as offshore oil platforms. Data collection in these hazardous settings often limits the development of autonomous inspection systems. To mitigate this issue, we propose a hybrid data synthesis pipeline that integrates procedural rendering and AI-driven video generation. The approach uses BlenderProc to produce photorealistic images with domain randomization and NVIDIA's Cosmos-Predict2 to generate physically consistent video sequences with temporal variation. A YOLO-based detector trained on a composite dataset, combining real and synthetic data, outperformed models trained solely on real images. A 1:1 ratio between real and synthetic samples achieved the highest accuracy. The results demonstrate that synthetic data generation is a viable, cost-effective, and safe strategy for developing reliable perception systems in safety-critical and resource-constrained industrial applications.
Authors: Ran Yan, Youhe Jiang, Zhuoming Chen, Haohui Mai, Beidi Chen, Binhang Yuan
Abstract: Recent advance in sparse attention mechanisms has demonstrated strong potential for reducing the computational cost of long-context training and inference in large language models (LLMs). Native Sparse Attention (NSA), one state-of-the-art approach, introduces natively trainable, hardware-aligned sparse attention that delivers substantial system-level performance boost while maintaining accuracy comparable to full attention. However, the kernel implementation of NSA forces a loop order that is only efficient with a relatively large number of query heads in each Grouped Query Attention (GQA) group, whereas existing LLMs widely adopt much smaller number of query heads in each GQA group -- such an inconsistency significantly limits the applicability of this sparse algorithmic advance. In this work, we propose Flash Sparse Attention (FSA), an alternative kernel implementation that enables efficient NSA computation across a wide range of popular LLMs with varied smaller number of heads in each GQA group on modern GPUs. Compared to vanilla NSA kernel implementation, our empirical evaluation demonstrates that FSA achieves (i) up to 3.5x and on average 1.6x kernel-level latency reduction, (ii) up to 1.25x and 1.09x on average end-to-end training speedup on state-of-the-art LLMs, and (iii) up to 1.36x and 1.11x on average for prefill-phase speedup in LLM generative inference. Github Repo at https://github.com/Relaxed-System-Lab/Flash-Sparse-Attention.
URLs: https://github.com/Relaxed-System-Lab/Flash-Sparse-Attention.
Authors: Chenghao Liu, Jiachen Zhang, Chengxuan Li, Zhimu Zhou, Shixin Wu, Songfang Huang, Huiling Duan
Abstract: Vision-Language-Action (VLA) models process visual inputs independently at each timestep, discarding valuable temporal information inherent in robotic manipulation tasks. This frame-by-frame processing makes models vulnerable to visual noise while ignoring the substantial coherence between consecutive frames in manipulation sequences. We propose Temporal Token Fusion (TTF), a training-free approach that intelligently integrates historical and current visual representations to enhance VLA inference quality. Our method employs dual-dimension detection combining efficient grayscale pixel difference analysis with attention-based semantic relevance assessment, enabling selective temporal token fusion through hard fusion strategies and keyframe anchoring to prevent error accumulation. Comprehensive experiments across LIBERO, SimplerEnv, and real robot tasks demonstrate consistent improvements: 4.0 percentage points average on LIBERO (72.4\% vs 68.4\% baseline), cross-environment validation on SimplerEnv (4.8\% relative improvement), and 8.7\% relative improvement on real robot tasks. Our approach proves model-agnostic, working across OpenVLA and VLA-Cache architectures. Notably, TTF reveals that selective Query matrix reuse in attention mechanisms enhances rather than compromises performance, suggesting promising directions for direct KQV matrix reuse strategies that achieve computational acceleration while improving task success rates.
Authors: Zifeng Ding, Shenyang Huang, Zeyu Cao, Emma Kondrup, Zachary Yang, Xingyue Huang, Yuan Sui, Zhangdie Yuan, Yuqicheng Zhu, Xianglong Hu, Yuan He, Farimah Poursafaei, Michael Bronstein, Andreas Vlachos
Abstract: Forecasting future links is a central task in temporal graph (TG) reasoning, requiring models to leverage historical interactions to predict upcoming ones. Traditional neural approaches, such as temporal graph neural networks, achieve strong performance but lack explainability and cannot be applied to unseen graphs without retraining. Recent studies have begun to explore using large language models (LLMs) for graph reasoning, but most of them are constrained to static graphs or small synthetic TGs and lack the evaluation of the quality of reasoning traces generated by LLMs. In this work, we present Reasoning-Enhanced Learning for Temporal Graphs (ReaL-TG), a reinforcement learning framework that fine-tunes LLMs to perform explainable link forecasting on real-world TGs. ReaL-TG uses outcome-based reward to encourage models to self-explore reasoning strategies from graph structure and to produce explanations that directly justify their predictions. To enable evaluation on LLM-generated reasoning traces, we propose a new evaluation protocol combining ranking metrics with an LLM-as-a-Judge system that assesses both the quality of reasoning and the impact of hallucinations. Experiments with ReaL-TG-4B, obtained by fine-tuning Qwen3-4B under our framework, show that it outperforms much larger frontier LLMs, including GPT-5 mini, on ranking metrics, while producing high-quality explanations confirmed by both the LLM judge and human evaluation.
Authors: Xiaoqiang Lin, Aritra Ghosh, Bryan Kian Hsiang Low, Anshumali Shrivastava, Vijai Mohan
Abstract: Large Language Models (LLMs) have demonstrated remarkable capabilities in leveraging extensive external knowledge to enhance responses in multi-turn and agentic applications, such as retrieval-augmented generation (RAG). However, processing long-context inputs introduces significant system latency and demands substantial memory for the key-value cache, resulting in reduced throughput and a fundamental trade-off between knowledge enrichment and system efficiency. While minimizing latency for long-context inputs is a primary objective for LLMs, we contend that RAG require specialized consideration. In RAG, much of the LLM context consists of concatenated passages from retrieval, with only a small subset directly relevant to the query. These passages often exhibit low semantic similarity due to diversity or deduplication during re-ranking, leading to block-diagonal attention patterns that differ from those in standard LLM generation tasks. Based on this observation, we argue that most computations over the RAG context during decoding are unnecessary and can be eliminated with minimal impact on performance. To this end, we propose REFRAG, an efficient decoding framework that compresses, senses, and expands to improve latency in RAG applications. By exploiting the sparsity structure, we demonstrate a 30.85 the time-to-first-token acceleration (3.75 improvement to previous work) without loss in perplexity. In addition, our optimization framework for large context enables REFRAG to extend the context size of LLMs by 16. We provide rigorous validation of REFRAG across diverse long-context tasks, including RAG, multi-turn conversations, and long document summarization, spanning a wide range of datasets. Experimental results confirm that REFRAG delivers substantial speedup with no loss in accuracy compared to LLaMA models and other state-of-the-art baselines across various context sizes.
Authors: Nicol\'as Hinrichs, Noah Guzm\'an, Melanie Weber
Abstract: Effective analysis in neuroscience benefits significantly from robust conceptual frameworks. Traditional metrics of interbrain synchrony in social neuroscience typically depend on fixed, correlation-based approaches, restricting their explanatory capacity to descriptive observations. Inspired by the successful integration of geometric insights in network science, we propose leveraging discrete geometry to examine the dynamic reconfigurations in neural interactions during social exchanges. Unlike conventional synchrony approaches, our method interprets inter-brain connectivity changes through the evolving geometric structures of neural networks. This geometric framework is realized through a pipeline that identifies critical transitions in network connectivity using entropy metrics derived from curvature distributions. By doing so, we significantly enhance the capacity of hyperscanning methodologies to uncover underlying neural mechanisms in interactive social behavior.
Authors: Alejandro D. Mousist
Abstract: This paper presents ASTREA, the first agentic system executed on flight-heritage hardware (TRL 9) for autonomous spacecraft operations, with on-orbit operation aboard the International Space Station (ISS). Using thermal control as a representative use case, we integrate a resource-constrained Large Language Model (LLM) agent with a reinforcement learning controller in an asynchronous architecture tailored for space-qualified platforms. Ground experiments show that LLM-guided supervision improves thermal stability and reduces violations, confirming the feasibility of combining semantic reasoning with adaptive control under hardware constraints. On-orbit validation aboard the ISS initially faced challenges due to inference latency misaligned with the rapid thermal cycles of Low Earth Orbit (LEO) satellites. Synchronization with the orbit length successfully surpassed the baseline with reduced violations, extended episode durations, and improved CPU utilization. These findings demonstrate the potential for scalable agentic supervision architectures in future autonomous spacecraft.
Authors: Jonas Buchli, Brendan Tracey, Tomislav Andric, Christopher Wipf, Yu Him Justin Chiu, Matthias Lochbrunner, Craig Donner, Rana X. Adhikari, Jan Harms, Iain Barr, Roland Hafner, Andrea Huber, Abbas Abdolmaleki, Charlie Beattie, Joseph Betzwieser, Serkan Cabi, Jonas Degrave, Yuzhu Dong, Leslie Fritz, Anchal Gupta, Oliver Groth, Sandy Huang, Tamara Norman, Hannah Openshaw, Jameson Rollins, Greg Thornton, George Van Den Driessche, Markus Wulfmeier, Pushmeet Kohli, Martin Riedmiller, LIGO Instrument Team
Abstract: Improved low-frequency sensitivity of gravitational wave observatories would unlock study of intermediate-mass black hole mergers, binary black hole eccentricity, and provide early warnings for multi-messenger observations of binary neutron star mergers. Today's mirror stabilization control injects harmful noise, constituting a major obstacle to sensitivity improvements. We eliminated this noise through Deep Loop Shaping, a reinforcement learning method using frequency domain rewards. We proved our methodology on the LIGO Livingston Observatory (LLO). Our controller reduced control noise in the 10--30Hz band by over 30x, and up to 100x in sub-bands surpassing the design goal motivated by the quantum limit. These results highlight the potential of Deep Loop Shaping to improve current and future GW observatories, and more broadly instrumentation and control systems.
Authors: Zhicheng Lin, Xiaolin Wu, Xi Zhang
Abstract: Deep models often suffer significant performance degradation under distribution shifts. Domain generalization (DG) seeks to mitigate this challenge by enabling models to generalize to unseen domains. Most prior approaches rely on multi-domain training or computationally intensive test-time adaptation. In contrast, we propose a complementary strategy: lightweight test-time augmentation. Specifically, we develop a novel Class-Invariant Test-Time Augmentation (CI-TTA) technique. The idea is to generate multiple variants of each input image through elastic and grid deformations that nevertheless belong to the same class as the original input. Their predictions are aggregated through a confidence-guided filtering scheme that remove unreliable outputs, ensuring the final decision relies on consistent and trustworthy cues. Extensive Experiments on PACS and Office-Home datasets demonstrate consistent gains across different DG algorithms and backbones, highlighting the effectiveness and generality of our approach.
Authors: Bojan Deraji\'c, Sebastian Bernhard, Wolfgang H\"onig
Abstract: Control barrier functions (CBFs) have been demonstrated as an effective method for safety-critical control of autonomous systems. Although CBFs are simple to deploy, their design remains challenging, motivating the development of learning-based approaches. Yet, issues such as suboptimal safe sets, applicability in partially observable environments, and lack of rigorous safety guarantees persist. In this work, we propose observation-conditioned neural CBFs based on Hamilton-Jacobi (HJ) reachability analysis, which approximately recover the maximal safe sets. We exploit certain mathematical properties of the HJ value function, ensuring that the predicted safe set never intersects with the observed failure set. Moreover, we leverage a hypernetwork-based architecture that is particularly suitable for the design of observation-conditioned safety filters. The proposed method is examined both in simulation and hardware experiments for a ground robot and a quadcopter. The results show improved success rates and generalization to out-of-domain environments compared to the baselines.
Authors: Hyunho Cha, Daniel K. Park, Jungwoo Lee
Abstract: Quantum data re-uploading has proved powerful for classical inputs, where repeatedly encoding features into a small circuit yields universal function approximation. Extending this idea to quantum inputs remains underexplored, as the information contained in a quantum state is not directly accessible in classical form. We propose and analyze a quantum data re-uploading architecture in which a qubit interacts sequentially with fresh copies of an arbitrary input state. The circuit can approximate any bounded continuous function using only one ancilla qubit and single-qubit measurements. By alternating entangling unitaries with mid-circuit resets of the input register, the architecture realizes a discrete cascade of completely positive and trace-preserving maps, analogous to collision models in open quantum system dynamics. Our framework provides a qubit-efficient and expressive approach to designing quantum machine learning models that operate directly on quantum data.
Authors: Xiaocheng Zou, Shijin Duan, Charles Fleming, Gaowen Liu, Ramana Rao Kompella, Shaolei Ren, Xiaolin Xu
Abstract: Quantum generative models based on instantaneous quantum polynomial (IQP) circuits show great promise in learning complex distributions while maintaining classical trainability. However, current implementations suffer from two key limitations: lack of controllability over generated outputs and severe generation bias towards certain expected patterns. We present a Controllable Quantum Generative Framework, ConQuER, which addresses both challenges through a modular circuit architecture. ConQuER embeds a lightweight controller circuit that can be directly combined with pre-trained IQP circuits to precisely control the output distribution without full retraining. Leveraging the advantages of IQP, our scheme enables precise control over properties such as the Hamming Weight distribution with minimal parameter and gate overhead. In addition, inspired by the controller design, we extend this modular approach through data-driven optimization to embed implicit control paths in the underlying IQP architecture, significantly reducing generation bias on structured datasets. ConQuER retains efficient classical training properties and high scalability. We experimentally validate ConQuER on multiple quantum state datasets, demonstrating its superior control accuracy and balanced generation performance, only with very low overhead cost over original IQP circuits. Our framework bridges the gap between the advantages of quantum computing and the practical needs of controllable generation modeling.
Authors: Haonan Chen, Jiaming Xu, Hongyu Chen, Kaiwen Hong, Binghao Huang, Chaoqi Liu, Jiayuan Mao, Yunzhu Li, Yilun Du, Katherine Driggs-Campbell
Abstract: Effectively integrating diverse sensory modalities is crucial for robotic manipulation. However, the typical approach of feature concatenation is often suboptimal: dominant modalities such as vision can overwhelm sparse but critical signals like touch in contact-rich tasks, and monolithic architectures cannot flexibly incorporate new or missing modalities without retraining. Our method factorizes the policy into a set of diffusion models, each specialized for a single representation (e.g., vision or touch), and employs a router network that learns consensus weights to adaptively combine their contributions, enabling incremental of new representations. We evaluate our approach on simulated manipulation tasks in {RLBench}, as well as real-world tasks such as occluded object picking, in-hand spoon reorientation, and puzzle insertion, where it significantly outperforms feature-concatenation baselines on scenarios requiring multimodal reasoning. Our policy further demonstrates robustness to physical perturbations and sensor corruption. We further conduct perturbation-based importance analysis, which reveals adaptive shifts between modalities.
Authors: Junliang Li, Yucheng Wang, Yan Chen, Yu Ran, Ruiqing Zhang, Jing Liu, Hua Wu, Haifeng Wang
Abstract: Hallucination and factuality deficits remain key obstacles to the reliability of large language models (LLMs) in long-form generation. Existing reinforcement learning from human feedback (RLHF) frameworks primarily rely on preference rewards, yet they often overlook the model's internal knowledge boundaries, exacerbating the so-called "hallucination tax". To address this challenge, we propose Knowledge-Level Consistency Reinforcement Learning Framework (KLCF), a novel framework that focuses on the knowledge consistency between the policy model's expressed knowledge and the base model's parametric knowledge, and introduces a Dual-Fact Alignment mechanism to jointly optimize factual recall and precision. Specifically, KLCF leverages pretrained knowledge boundaries to construct fact checklist, guiding online reinforcement learning to improve factual coverage and recall; simultaneously, it trains a self-assessment module based on the base model's internal knowledge to enhance factual precision during generation. Unlike prior methods that rely on external retrieval or heavy verification, our reward design is fully external-knowledge-free and lightweight, making KLCF efficient and easily scalable to large-scale training. Experimental results demonstrate that KLCF substantially improves factuality metrics across multiple long-form benchmarks and effectively alleviates model hallucinations.
Authors: Jiecheng Zhou, Qinghao Hu, Yuyang Jin, Zerui Wang, Peng Sun, Yuzhe Gu, Wenwei Zhang, Mingshu Zhai, Xingcheng Zhang, Weiming Zhang
Abstract: Large Language Models (LLMs) are now widely used across many domains. With their rapid development, Reinforcement Learning with Verifiable Rewards (RLVR) has surged in recent months to enhance their reasoning and understanding abilities. However, its complex data flows and diverse tasks pose substantial challenges to RL training systems, and there is limited understanding of RLVR from a system perspective. To thoroughly understand the system challenges introduced by RLVR, we present a characterization study of RLVR tasks in our LLM deployment. Specifically, we investigate the distribution and variation trends of workloads across different RL tasks across training steps. We identify issues such as GPU idling caused by skewed sequence length distribution, inefficient parallel strategies in dynamically varying workloads, inefficient data management mechanisms, and load imbalance. We describe our observations and call for further investigation into the remaining open challenges. Furthermore, we propose PolyTrace benchmark suite to conduct evaluation with realistic workloads, and a practical use case validates that PolyTrace benchmark suite exhibits 94.7% accuracy.
Authors: Sankar Vinayak Elayedam, Gopalakrishnan Srinivasan
Abstract: Equilibrium propagation has been proposed as a biologically plausible alternative to the backpropagation algorithm. The local nature of gradient computations, combined with the use of convergent RNNs to reach equilibrium states, make this approach well-suited for implementation on neuromorphic hardware. However, previous studies on equilibrium propagation have been restricted to networks containing only dense layers or relatively small architectures with a few convolutional layers followed by a final dense layer. These networks have a significant gap in accuracy compared to similarly sized feedforward networks trained with backpropagation. In this work, we introduce the Hopfield-Resnet architecture, which incorporates residual (or skip) connections in Hopfield networks with clipped $\mathrm{ReLU}$ as the activation function. The proposed architectural enhancements enable the training of networks with nearly twice the number of layers reported in prior works. For example, Hopfield-Resnet13 achieves 93.92\% accuracy on CIFAR-10, which is $\approx$3.5\% higher than the previous best result and comparable to that provided by Resnet13 trained using backpropagation.
Authors: Ma\"el Macuglia, Paul Friedrich, Giorgia Ramponi
Abstract: Deploying reinforcement learning (RL) in robotics, industry, and health care is blocked by two obstacles: the difficulty of specifying accurate rewards and the risk of unsafe, data-hungry exploration. We address this by proposing a two-stage framework that first learns a safe initial policy from a reward-free dataset of expert demonstrations, then fine-tunes it online using preference-based human feedback. We provide the first principled analysis of this offline-to-online approach and introduce BRIDGE, a unified algorithm that integrates both signals via an uncertainty-weighted objective. We derive regret bounds that shrink with the number of offline demonstrations, explicitly connecting the quantity of offline data to online sample efficiency. We validate BRIDGE in discrete and continuous control MuJoCo environments, showing it achieves lower regret than both standalone behavioral cloning and online preference-based RL. Our work establishes a theoretical foundation for designing more sample-efficient interactive agents.
Authors: Ehsan Aghaei, Sarthak Jain, Prashanth Arun, Arjun Sambamoorthy
Abstract: Effective analysis of cybersecurity and threat intelligence data demands language models that can interpret specialized terminology, complex document structures, and the interdependence of natural language and source code. Encoder-only transformer architectures provide efficient and robust representations that support critical tasks such as semantic search, technical entity extraction, and semantic analysis, which are key to automated threat detection, incident triage, and vulnerability assessment. However, general-purpose language models often lack the domain-specific adaptation required for high precision. We present SecureBERT 2.0, an enhanced encoder-only language model purpose-built for cybersecurity applications. Leveraging the ModernBERT architecture, SecureBERT 2.0 introduces improved long-context modeling and hierarchical encoding, enabling effective processing of extended and heterogeneous documents, including threat reports and source code artifacts. Pretrained on a domain-specific corpus more than thirteen times larger than its predecessor, comprising over 13 billion text tokens and 53 million code tokens from diverse real-world sources, SecureBERT 2.0 achieves state-of-the-art performance on multiple cybersecurity benchmarks. Experimental results demonstrate substantial improvements in semantic search for threat intelligence, semantic analysis, cybersecurity-specific named entity recognition, and automated vulnerability detection in code within the cybersecurity domain.
Authors: Taeyoung Kim, Jimin Lee, Myungkyu Koo, Dongyoung Kim, Kyungmin Lee, Changyeon Kim, Younggyo Seo, Jinwoo Shin
Abstract: Vision-Language-Action (VLA) models have shown its capabilities in robot manipulation by leveraging rich representations from pre-trained Vision-Language Models (VLMs). However, their representations arguably remain suboptimal, lacking sensitivity to robotic signals such as control actions and proprioceptive states. To address the issue, we introduce Robot State-aware Contrastive Loss (RS-CL), a simple and effective representation regularization for VLA models, designed to bridge the gap between VLM representations and robotic signals. In particular, RS-CL aligns the representations more closely with the robot's proprioceptive states, by using relative distances between the states as soft supervision. Complementing the original action prediction objective, RS-CL effectively enhances control-relevant representation learning, while being lightweight and fully compatible with standard VLA training pipeline. Our empirical results demonstrate that RS-CL substantially improves the manipulation performance of state-of-the-art VLA models; it pushes the prior art from 30.8% to 41.5% on pick-and-place tasks in RoboCasa-Kitchen, through more accurate positioning during grasping and placing, and boosts success rates from 45.0% to 58.3% on challenging real-robot manipulation tasks.
Authors: Byungjun Kim, Soobin Um, Jong Chul Ye
Abstract: Text-to-image (T2I) diffusion models have demonstrated impressive performance in generating high-fidelity images, largely enabled by text-guided inference. However, this advantage often comes with a critical drawback: limited diversity, as outputs tend to collapse into similar modes under strong text guidance. Existing approaches typically optimize intermediate latents or text conditions during inference, but these methods deliver only modest gains or remain sensitive to hyperparameter tuning. In this work, we introduce Contrastive Noise Optimization, a simple yet effective method that addresses the diversity issue from a distinct perspective. Unlike prior techniques that adapt intermediate latents, our approach shapes the initial noise to promote diverse outputs. Specifically, we develop a contrastive loss defined in the Tweedie data space and optimize a batch of noise latents. Our contrastive optimization repels instances within the batch to maximize diversity while keeping them anchored to a reference sample to preserve fidelity. We further provide theoretical insights into the mechanism of this preprocessing to substantiate its effectiveness. Extensive experiments across multiple T2I backbones demonstrate that our approach achieves a superior quality-diversity Pareto frontier while remaining robust to hyperparameter choices.
Authors: Pedro Ivo da Cruz, Dimitri Silva, Tito Spadini, Ricardo Suyama, Murilo Bellezoni Loiola
Abstract: Massive multiple-input multiple-output (MMIMO) is essential to modern wireless communication systems, like 5G and 6G, but it is vulnerable to active eavesdropping attacks. One type of such attack is the pilot contamination attack (PCA), where a malicious user copies pilot signals from an authentic user during uplink, intentionally interfering with the base station's (BS) channel estimation accuracy. In this work, we propose to use a Decision Tree (DT) algorithm for PCA detection at the BS in a multi-user system. We present a methodology to generate training data for the DT classifier and select the best DT according to their depth. Then, we simulate different scenarios that could be encountered in practice and compare the DT to a classical technique based on likelihood ratio testing (LRT) submitted to the same scenarios. The results revealed that a DT with only one level of depth is sufficient to outperform the LRT. The DT shows a good performance regarding the probability of detection in noisy scenarios and when the malicious user transmits with low power, in which case the LRT fails to detect the PCA. We also show that the reason for the good performance of the DT is its ability to compute a threshold that separates PCA data from non-PCA data better than the LRT's threshold. Moreover, the DT does not necessitate prior knowledge of noise power or assumptions regarding the signal power of malicious users, prerequisites typically essential for LRT and other hypothesis testing methodologies.
Authors: Yaxin Hou, Bo Han, Yuheng Jia, Hui Liu, Junhui Hou
Abstract: Current long-tailed semi-supervised learning methods assume that labeled data exhibit a long-tailed distribution, and unlabeled data adhere to a typical predefined distribution (i.e., long-tailed, uniform, or inverse long-tailed). However, the distribution of the unlabeled data is generally unknown and may follow an arbitrary distribution. To tackle this challenge, we propose a Controllable Pseudo-label Generation (CPG) framework, expanding the labeled dataset with the progressively identified reliable pseudo-labels from the unlabeled dataset and training the model on the updated labeled dataset with a known distribution, making it unaffected by the unlabeled data distribution. Specifically, CPG operates through a controllable self-reinforcing optimization cycle: (i) at each training step, our dynamic controllable filtering mechanism selectively incorporates reliable pseudo-labels from the unlabeled dataset into the labeled dataset, ensuring that the updated labeled dataset follows a known distribution; (ii) we then construct a Bayes-optimal classifier using logit adjustment based on the updated labeled data distribution; (iii) this improved classifier subsequently helps identify more reliable pseudo-labels in the next training step. We further theoretically prove that this optimization cycle can significantly reduce the generalization error under some conditions. Additionally, we propose a class-aware adaptive augmentation module to further improve the representation of minority classes, and an auxiliary branch to maximize data utilization by leveraging all labeled and unlabeled samples. Comprehensive evaluations on various commonly used benchmark datasets show that CPG achieves consistent improvements, surpassing state-of-the-art methods by up to $\textbf{15.97%}$ in accuracy. The code is available at https://github.com/yaxinhou/CPG.
Authors: Yujie Zhou, Yiwei Liao, Cheng Peng, Rulong Wang, Yong Xiao, Yingyu Li, Guangming Shi
Abstract: Semantic communication (SemCom) shifts the focus from data transmission to meaning delivery, enabling efficient and intelligent communication. Existing AI-based coding schemes for multi-modal multi-task SemCom often require transmitters with full-modal data to participate in all receivers' tasks, which leads to redundant transmissions and conflicts with the physical limits of channel capacity and computational capability. In this paper, we propose PoM$^2$-DIB, a novel framework that extends the distributed information bottleneck (DIB) theory to address this problem. Unlike the typical DIB, this framework introduces modality selection as an additional key design variable, enabling a more flexible tradeoff between communication rate and inference quality. This extension selects only the most relevant modalities for task participation, adhering to the physical constraints, while following efficient DIB-based coding. To optimize selection and coding end-to-end, we relax modality selection into a probabilistic form, allowing the use of score function estimation with common randomness to enable optimizable coordinated decisions across distributed devices. Experimental results on public datasets verify that PoM$^2$-DIB achieves high inference quality compared to full-participation baselines in various tasks under physical limits.
Authors: Hyung Gyu Rho, Sian Lee
Abstract: Modern preference alignment techniques, such as Best-of-N (BoN) sampling, rely on reward models trained with pairwise comparison data. While effective at learning relative preferences, this paradigm fails to capture a signal of response acceptability, leaving systems vulnerable to selecting the least bad of many unacceptable options. This is particularly problematic for hard prompts, where the risk of such false acceptances increases with the number of samples. In this paper, we address this critical reliability gap by introducing a new data collection and modeling framework. By augmenting preference data with an outside option, inspired by discrete choice models, we train a reward model that can distinguish not just what is better, but what is good enough. We leverage this capability to create an adaptive inference strategy, best of mini-N in-loop, which partitions the generation budget into sequential loops with a calibrated, early-exit condition. Our experiments show that when tuned as an alignment guardrail, it reduces reliability failures by 70%, and when tuned as an inference accelerator, it improves average inference speed by over 22% in IMDB-sentiment setting. We thus provide a principled and flexible framework for practitioners to explicitly manage the trade-off between reliability and computational efficiency.
Authors: Ayan Majumdar, Feihao Chen, Jinghui Li, Xiaozhen Wang
Abstract: Large-scale web-scraped text corpora used to train general-purpose AI models often contain harmful demographic-targeted social biases, creating a regulatory need for data auditing and developing scalable bias-detection methods. Although prior work has investigated biases in text datasets and related detection methods, these studies remain narrow in scope. They typically focus on a single content type (e.g., hate speech), cover limited demographic axes, overlook biases affecting multiple demographics simultaneously, and analyze limited techniques. Consequently, practitioners lack a holistic understanding of the strengths and limitations of recent large language models (LLMs) for automated bias detection. In this study, we present a comprehensive evaluation framework aimed at English texts to assess the ability of LLMs in detecting demographic-targeted social biases. To align with regulatory requirements, we frame bias detection as a multi-label task using a demographic-focused taxonomy. We then conduct a systematic evaluation with models across scales and techniques, including prompting, in-context learning, and fine-tuning. Using twelve datasets spanning diverse content types and demographics, our study demonstrates the promise of fine-tuned smaller models for scalable detection. However, our analyses also expose persistent gaps across demographic axes and multi-demographic targeted biases, underscoring the need for more effective and scalable auditing frameworks.
Authors: Xuanming Cui, Jianpeng Cheng, Hong-you Chen, Satya Narayan Shukla, Abhijeet Awasthi, Xichen Pan, Chaitanya Ahuja, Shlok Kumar Mishra, Qi Guo, Ser-Nam Lim, Aashu Singh, Xiangjun Fan
Abstract: There is a growing interest in Universal Multimodal Embeddings (UME), where models are required to generate task-specific representations. While recent studies show that Multimodal Large Language Models (MLLMs) perform well on such tasks, they treat MLLMs solely as encoders, overlooking their generative capacity. However, such an encoding paradigm becomes less effective as instructions become more complex and require compositional reasoning. Inspired by the proven effectiveness of chain-of-thought reasoning, we propose a general Think-Then-Embed (TTE) framework for UME, composed of a reasoner and an embedder. The reasoner MLLM first generates reasoning traces that explain complex queries, followed by an embedder that produces representations conditioned on both the original query and the intermediate reasoning. This explicit reasoning step enables more nuanced understanding of complex multimodal instructions. Our contributions are threefold. First, by leveraging a powerful MLLM reasoner, we achieve state-of-the-art performance on the MMEB-V2 benchmark, surpassing proprietary models trained on massive in-house datasets. Second, to reduce the dependency on large MLLM reasoners, we finetune a smaller MLLM reasoner using high-quality embedding-centric reasoning traces, achieving the best performance among open-source models with a 7% absolute gain over recently proposed models. Third, we investigate strategies for integrating the reasoner and embedder into a unified model for improved efficiency without sacrificing performance.
Authors: Qingshu Xu, Hong Jiao, Tianyi Zhou, Ming Li, Nan Zhang, Sydney Peters, Yanbin Fu
Abstract: Accurate alignment of items to content standards is critical for valid score interpretation in large-scale assessments. This study evaluates three automated paradigms for aligning items with four domain and nineteen skill labels. First, we extracted embeddings and trained multiple classical supervised machine learning models, and further investigated the impact of dimensionality reduction on model performance. Second, we fine-tuned eight BERT model and its variants for both domain and skill alignment. Third, we explored ensemble learning with majority voting and stacking with multiple meta-models. The DeBERTa-v3-base achieved the highest weighted-average F1 score of 0.950 for domain alignment while the RoBERTa-large yielded the highest F1 score of 0.869 for skill alignment. Ensemble models did not surpass the best-performing language models. Dimension reduction enhanced linear classifiers based on embeddings but did not perform better than language models. This study demonstrated different methods in automated item alignment to content standards.}
Authors: Jusen Du, Jiaxi Hu, Tao Zhang, Weigao Sun, Yu Cheng
Abstract: Transformers excel at sequence modeling but face quadratic complexity, while linear attention offers improved efficiency but often compromises recall accuracy over long contexts. In this work, we introduce Native Hybrid Attention (NHA), a novel hybrid architecture of linear and full attention that integrates both intra \& inter-layer hybridization into a unified layer design. NHA maintains long-term context in key-value slots updated by a linear RNN, and augments them with short-term tokens from a sliding window. A single \texttt{softmax attention} operation is then applied over all keys and values, enabling per-token and per-head context-dependent weighting without requiring additional fusion parameters. The inter-layer behavior is controlled through a single hyperparameter, the sliding window size, which allows smooth adjustment between purely linear and full attention while keeping all layers structurally uniform. Experimental results show that NHA surpasses Transformers and other hybrid baselines on recall-intensive and commonsense reasoning tasks. Furthermore, pretrained LLMs can be structurally hybridized with NHA, achieving competitive accuracy while delivering significant efficiency gains. Code is available at https://github.com/JusenD/NHA.
Authors: Leonardo Christov-Moore, Arthur Juliani, Alex Kiefer, Nicco Reggente, B. Scott Rousse, Adam Safron, Nicol\'as Hinrichs, Daniel Polani, Antonio Damasio
Abstract: Physical vulnerability and mortality are often seen as obstacles to be avoided in the development of artificial agents, which struggle to adapt to open-ended environments and provide aligned care. Meanwhile, biological organisms survive, thrive, and care for each other in an open-ended physical world with relative ease and efficiency. Understanding the role of the conditions of life in this disparity can aid in developing more robust, adaptive, and caring artificial agents. Here we define two minimal conditions for physical embodiment inspired by the existentialist phenomenology of Martin Heidegger: being-in-the-world (the agent is a part of the environment) and being-towards-death (unless counteracted, the agent drifts toward terminal states due to the second law of thermodynamics). We propose that from these conditions we can obtain both a homeostatic drive - aimed at maintaining integrity and avoiding death by expending energy to learn and act - and an intrinsic drive to continue to do so in as many ways as possible. Drawing inspiration from Friedrich Nietzsche's existentialist concept of will-to-power, we examine how intrinsic drives to maximize control over future states, e.g., empowerment, allow agents to increase the probability that they will be able to meet their future homeostatic needs, thereby enhancing their capacity to maintain physical integrity. We formalize these concepts within a reinforcement learning framework, which enables us to examine how intrinsically driven embodied agents learning in open-ended multi-agent environments may cultivate the capacities for open-endedness and care.
Authors: Constantin Venhoff, Iv\'an Arcuschin, Philip Torr, Arthur Conmy, Neel Nanda
Abstract: Why do thinking language models like DeepSeek R1 outperform their base counterparts? Despite consistent performance gains, it remains unclear to what extent thinking models learn entirely new reasoning capabilities or repurpose pre-existing base model ones. In this work, we propose a hybrid model where we activate reasoning mechanisms in base models at the right time to elicit thinking-model-level reasoning chains, implying that thinking models exploit already existing capabilities. To ground our analysis, we introduce an unsupervised, bottom-up approach for uncovering human-interpretable reasoning behaviors in thinking models. This approach provides an unbiased method to discover reasoning behaviors without imposing manual or LLM-derived assumptions. Across three base and four thinking models, using GSM8K and MATH500, our hybrid model recovers up to 91% of the performance gap to thinking models without any weight updates while steering only 12% of tokens. Concretely, our empirical setup provides a simple, causal way to test the effectiveness of existing reasoning mechanisms in base models by invoking them directly and measuring the resulting task performance. More broadly, these results reframe our understanding of how thinking models are trained: pre-training is when models acquire most of their reasoning mechanisms, and post-training teaches efficient deployment of these mechanisms at the right time, enabling efficient use of their inference-time compute.
Authors: Abdelhakim Benechehab, Gabriel Singer, Corentin L\'eger, Youssef Attia El Hili, Giuseppe Paolo, Albert Thomas, Maurizio Filippone, Bal\'azs K\'egl
Abstract: Generative models form the backbone of modern machine learning, underpinning state-of-the-art systems in text, vision, and multimodal applications. While Maximum Likelihood Estimation has traditionally served as the dominant training paradigm, recent work have highlighted its limitations, particularly in generalization and susceptibility to catastrophic forgetting compared to Reinforcement Learning techniques, such as Policy Gradient methods. However, these approaches depend on explicit reward signals, which are often unavailable in practice, leaving open the fundamental problem of how to align generative models when only high-quality datasets are accessible. In this work, we address this challenge via a Bilevel Optimization framework, where the reward function is treated as the optimization variable of an outer-level problem, while a policy gradient objective defines the inner-level. We then conduct a theoretical analysis of this optimization problem in a tractable setting and extract insights that, as we demonstrate, generalize to applications such as tabular classification and model-based reinforcement learning. We release the code at https://github.com/abenechehab/nll_to_po .
Authors: Liyang Chen, Hongkai Chen, Yujun Cai, Sifan Li, Qingwen Ye, Yiwei Wang
Abstract: Video-to-Audio generation has made remarkable strides in automatically synthesizing sound for video. However, existing evaluation metrics, which focus on semantic and temporal alignment, overlook a critical failure mode: models often generate acoustic events, particularly speech and music, that have no corresponding visual source. We term this phenomenon Insertion Hallucination and identify it as a systemic risk driven by dataset biases, such as the prevalence of off-screen sounds, that remains completely undetected by current metrics. To address this challenge, we first develop a systematic evaluation framework that employs a majority-voting ensemble of multiple audio event detectors. We also introduce two novel metrics to quantify the prevalence and severity of this issue: IH@vid (the fraction of videos with hallucinations) and IH@dur (the fraction of hallucinated duration). Building on this, we propose Posterior Feature Correction, a novel training-free inference-time method that mitigates IH. PFC operates in a two-pass process: it first generates an initial audio output to detect hallucinated segments, and then regenerates the audio after masking the corresponding video features at those timestamps. Experiments on several mainstream V2A benchmarks first reveal that state-of-the-art models suffer from severe IH. In contrast, our PFC method reduces both the prevalence and duration of hallucinations by over 50\% on average, without degrading, and in some cases even improving, conventional metrics for audio quality and temporal synchronization. Our work is the first to formally define, systematically measure, and effectively mitigate Insertion Hallucination, paving the way for more reliable and faithful V2A models.
Authors: Ralf R\"omer, Adrian Kobras, Luca Worbis, Angela P. Schoellig
Abstract: Imitation learning (IL) with generative models, such as diffusion and flow matching, has enabled robots to perform complex, long-horizon tasks. However, distribution shifts from unseen environments or compounding action errors can still cause unpredictable and unsafe behavior, leading to task failure. Early failure prediction during runtime is therefore essential for deploying robots in human-centered and safety-critical environments. We propose FIPER, a general framework for Failure Prediction at Runtime for generative IL policies that does not require failure data. FIPER identifies two key indicators of impending failure: (i) out-of-distribution (OOD) observations detected via random network distillation in the policy's embedding space, and (ii) high uncertainty in generated actions measured by a novel action-chunk entropy score. Both failure prediction scores are calibrated using a small set of successful rollouts via conformal prediction. A failure alarm is triggered when both indicators, aggregated over short time windows, exceed their thresholds. We evaluate FIPER across five simulation and real-world environments involving diverse failure modes. Our results demonstrate that FIPER better distinguishes actual failures from benign OOD situations and predicts failures more accurately and earlier than existing methods. We thus consider this work an important step towards more interpretable and safer generative robot policies. Code, data and videos are available at https://tum-lsy.github.io/fiper_website.