Authors: Yangshu Yuan, Heng Chen, Xinyi Jiang, Christian Ng, Kexin Qiu
Abstract: The rapid advancement of Large Language Models (LLMs) and Large Vision-Language Models (LVLMs) has enhanced our ability to process and generate human language and visual information. However, these models often struggle with complex, multi-step multi-modal instructions that require logical reasoning, dynamic feedback integration, and iterative self-correction. To address this, we propose CIMR: Contextualized Iterative Multimodal Reasoning, a novel framework that introduces a context-aware iterative reasoning and self-correction module. CIMR operates in two stages: initial reasoning and response generation, followed by iterative refinement using parsed multi-modal feedback. A dynamic fusion module deeply integrates textual, visual, and contextual features at each step. We fine-tune LLaVA-1.5-7B on the Visual Instruction Tuning (VIT) dataset and evaluate CIMR on the newly introduced Multi-modal Action Planning (MAP) dataset. CIMR achieves 91.5% accuracy, outperforming state-of-the-art models such as GPT-4V (89.2%), LLaVA-1.5 (78.5%), MiniGPT-4 (75.3%), and InstructBLIP (72.8%), demonstrating the efficacy of its iterative reasoning and self-correction capabilities in complex tasks.
Authors: Eman Ali, Chetan Arora, Muhammad Haris Khan
Abstract: In unsupervised adaptation for vision-language models such as CLIP, pseudo-labels derived from zero-shot predictions often exhibit significant noise, particularly under domain shifts or in visually complex scenarios. Conventional pseudo-label filtering approaches, which rely on fixed confidence thresholds, tend to be unreliable in fully unsupervised settings. In this work, we propose a novel adaptive pseudo-labeling framework that enhances CLIP's adaptation performance by integrating prototype consistency and neighborhood-based consistency. The proposed method comprises two key components: PICS, which assesses pseudo-label accuracy based on in-class feature compactness and cross-class feature separation; and NALR, which exploits semantic similarities among neighboring samples to refine pseudo-labels dynamically. Additionally, we introduce an adaptive weighting mechanism that adjusts the influence of pseudo-labeled samples during training according to their estimated correctness. Extensive experiments on 11 benchmark datasets demonstrate that our method achieves state-of-the-art performance in unsupervised adaptation scenarios, delivering more accurate pseudo-labels while maintaining computational efficiency.
Authors: Mohammad Abdul Hafeez Khan, Yash Jain, Siddhartha Bhattacharyya, Vibhav Vineet
Abstract: Text-to-image (T2I) generation models have made significant strides but still struggle with prompt sensitivity: even minor changes in prompt wording can yield inconsistent or inaccurate outputs. To address this challenge, we introduce a closed-loop, test-time prompt refinement framework that requires no additional training of the underlying T2I model, termed TIR. In our approach, each generation step is followed by a refinement step, where a pretrained multimodal large language model (MLLM) analyzes the output image and the user's prompt. The MLLM detects misalignments (e.g., missing objects, incorrect attributes) and produces a refined and physically grounded prompt for the next round of image generation. By iteratively refining the prompt and verifying alignment between the prompt and the image, TIR corrects errors, mirroring the iterative refinement process of human artists. We demonstrate that this closed-loop strategy improves alignment and visual coherence across multiple benchmark datasets, all while maintaining plug-and-play integration with black-box T2I models.
Authors: Leo Guo, Hirak Kansara, Siamak F. Khosroshahi, GuoQi Zhang, Wei Tan
Abstract: Finite element (FE) simulations of structures and materials are getting increasingly more accurate, but also more computationally expensive as a collateral result. This development happens in parallel with a growing demand of data-driven design. To reconcile the two, a robust and data-efficient optimization method called Bayesian optimization (BO) has been previously established as a technique to optimize expensive objective functions. In parallel, the mesh width of an FE model can be exploited to evaluate an objective at a lower or higher fidelity (cost & accuracy) level. The multi-fidelity setting applied to BO, called multi-fidelity BO (MFBO), has also seen previous success. However, BO and MFBO have not seen a direct comparison with when faced with with a real-life engineering problem, such as metamaterial design for deformation and absorption qualities. Moreover, sampling quality and assessing design parameter sensitivity is often an underrepresented part of data-driven design. This paper aims to address these shortcomings by employing Sobol' samples with variance-based sensitivity analysis in order to reduce design problem complexity. Furthermore, this work describes, implements, applies and compares the performance BO with that MFBO when maximizing the energy absorption (EA) problem of spinodoid cellular structures is concerned. The findings show that MFBO is an effective way to maximize the EA of a spinodoid structure and is able to outperform BO by up to 11% across various hyperparameter settings. The results, which are made open-source, serve to support the utility of multi-fidelity techniques across expensive data-driven design problems.
Authors: Anuraj Maurya
Abstract: Deep learning provides a versatile suite of methods for extracting structured information from complex datasets, enabling deeper understanding of underlying fluid dynamic phenomena. The field of turbulence modeling, in particular, benefits from the growing availability of high-dimensional data obtained through experiments, field observations, and large-scale simulations spanning multiple spatio-temporal scales. This report presents a concise overview of both classical and deep learningbased approaches to turbulence modeling. It further investigates two specific challenges at the intersection of fluid dynamics and machine learning: the integration of multiscale turbulence models with deep learning architectures, and the application of deep generative models for super-resolution reconstruction
Authors: Harsh Nilesh Pathak, Randy Paffenroth
Abstract: In this work, we propose a parameter continuation method for the optimization of neural networks. There is a close connection between parameter continuation, homotopies, and curriculum learning. The methods we propose here are theoretically justified and practically effective for several problems in deep neural networks. In particular, we demonstrate better generalization performance than state-of-the-art optimization techniques such as ADAM for supervised and unsupervised learning tasks.
Authors: Sergii Kavun
Abstract: Activation functions are critical components in deep neural networks, directly influencing gradient flow, training stability, and model performance. Traditional functions like ReLU suffer from dead neuron problems, while sigmoid and tanh exhibit vanishing gradient issues. We introduce two novel hybrid activation functions: S3 (Sigmoid-Softsign) and its improved version S4 (smoothed S3). S3 combines sigmoid for negative inputs with softsign for positive inputs, while S4 employs a smooth transition mechanism controlled by a steepness parameter k. We conducted comprehensive experiments across binary classification, multi-class classification, and regression tasks using three different neural network architectures. S4 demonstrated superior performance compared to nine baseline activation functions, achieving 97.4% accuracy on MNIST, 96.0% on Iris classification, and 18.7 MSE on Boston Housing regression. The function exhibited faster convergence (-19 for ReLU) and maintained stable gradient flow across network depths. Comparative analysis revealed S4's gradient range of [0.24, 0.59] compared to ReLU's 18% dead neurons in deep networks. The S4 activation function addresses key limitations of existing functions through its hybrid design and smooth transition mechanism. The tunable parameter k allows adaptation to different tasks and network depths, making S4 a versatile choice for deep learning applications. These findings suggest that hybrid activation functions represent a promising direction for improving neural network training dynamics.
Authors: Molly Wang, Kin. K Leung
Abstract: Reinforcement Learning (RL) has been widely used for packet routing in communication networks, but traditional RL methods rely on the Markov assumption that the current state contains all necessary information for decision-making. In reality, internet traffic is non-Markovian, and past states do influence routing performance. Moreover, common deep RL approaches use function approximators, such as neural networks, that do not model the spatial structure in network topologies. To address these shortcomings, we design a network environment with non-Markovian traffic and introduce a spatial-temporal RL (STRL) framework for packet routing. Our approach outperforms traditional baselines by more than 19% during training and 7% for inference despite a change in network topology.
Authors: Ambarish Singh, Romila Pradhan
Abstract: Data quality plays a pivotal role in the predictive performance of machine learning (ML) tasks - a challenge amplified by the deluge of data sources available in modern organizations.Prior work in data discovery largely focus on metadata matching, semantic similarity or identifying tables that should be joined to answer a particular query, but do not consider source quality for high performance of the downstream ML task.This paper addresses the problem of determining the best subset of data sources that must be combined to construct the underlying training dataset for a given ML task.We propose SourceGrasp and SourceSplice, frameworks designed to efficiently select a suitable subset of sources that maximizes the utility of the downstream ML model.Both the algorithms rely on the core idea that sources (or their combinations) contribute differently to the task utility, and must be judiciously chosen.While SourceGrasp utilizes a metaheuristic based on a greediness criterion and randomization, the SourceSplice framework presents a source selection mechanism inspired from gene splicing - a core concept used in protein synthesis.We empirically evaluate our algorithms on three real-world datasets and synthetic datasets and show that, with significantly fewer subset explorations, SourceSplice effectively identifies subsets of data sources leading to high task utility.We also conduct studies reporting the sensitivity of SourceSplice to the decision choices under several settings.
Authors: Hongjie Chen, Akshay Mehra, Josh Kimball, Ryan A. Rossi
Abstract: The emergence of time-series foundation model research elevates the growing need to measure the (dis)similarity of time-series datasets. A time-series dataset similarity measure aids research in multiple ways, including model selection, finetuning, and visualization. In this paper, we propose a distribution-based method to measure time-series dataset similarity by leveraging the Wasserstein distance. We consider a time-series dataset an empirical instantiation of an underlying multivariate normal distribution (MVN). The similarity between two time-series datasets is thus computed as the Wasserstein distance between their corresponding MVNs. Comprehensive experiments and visualization show the effectiveness of our approach. Specifically, we show how the Wasserstein distance helps identify similar time-series datasets and facilitates inference performance estimation of foundation models in both out-of-distribution and transfer learning evaluation, with high correlations between our proposed measure and the inference loss (>0.60).
Authors: Black Sun (Delia), Die (Delia), Hu
Abstract: Remote fetal monitoring technologies are becoming increasingly common. Yet, most current systems offer limited interpretability, leaving expectant parents with raw cardiotocography (CTG) data that is difficult to understand. In this work, we present CTG-Insight, a multi-agent LLM system that provides structured interpretations of fetal heart rate (FHR) and uterine contraction (UC) signals. Drawing from established medical guidelines, CTG-Insight decomposes each CTG trace into five medically defined features: baseline, variability, accelerations, decelerations, and sinusoidal pattern, each analyzed by a dedicated agent. A final aggregation agent synthesizes the outputs to deliver a holistic classification of fetal health, accompanied by a natural language explanation. We evaluate CTG-Insight on the NeuroFetalNet Dataset and compare it against deep learning models and the single-agent LLM baseline. Results show that CTG-Insight achieves state-of-the-art accuracy (96.4%) and F1-score (97.8%) while producing transparent and interpretable outputs. This work contributes an interpretable and extensible CTG analysis framework.
Authors: Abhiram Bhupatiraju, Sung Bum Ahn
Abstract: Accurate load forecasting is essential to the operation of modern electric power systems. Given the sensitivity of electricity demand to weather variability and temporal dynamics, capturing non-linear patterns is essential for long-term planning. This paper presents a comparative analysis of machine learning models, Linear Regression, XGBoost, LightGBM, and Long Short-Term Memory (LSTM), for forecasting system-wide electricity load up to one year in advance. Midterm forecasting has shown to be crucial for maintenance scheduling, resource allocation, financial forecasting, and market participation. The paper places a focus on the use of a method called "Shapley Additive Explanations" (SHAP) to improve model explainability. SHAP enables the quantification of feature contributions, guiding informed feature engineering and improving both model transparency and forecasting accuracy.
Authors: St\'ephane d'Ascoli, J\'er\'emy Rapin, Yohann Benchetrit, Hubert Banville, Jean-R\'emi King
Abstract: Historically, neuroscience has progressed by fragmenting into specialized domains, each focusing on isolated modalities, tasks, or brain regions. While fruitful, this approach hinders the development of a unified model of cognition. Here, we introduce TRIBE, the first deep neural network trained to predict brain responses to stimuli across multiple modalities, cortical areas and individuals. By combining the pretrained representations of text, audio and video foundational models and handling their time-evolving nature with a transformer, our model can precisely model the spatial and temporal fMRI responses to videos, achieving the first place in the Algonauts 2025 brain encoding competition with a significant margin over competitors. Ablations show that while unimodal models can reliably predict their corresponding cortical networks (e.g. visual or auditory networks), they are systematically outperformed by our multimodal model in high-level associative cortices. Currently applied to perception and comprehension, our approach paves the way towards building an integrative model of representations in the human brain. Our code is available at https://github.com/facebookresearch/algonauts-2025.
Authors: Oleksiy Ostapenko, Charles Guille-Escuret, Luke Kumar, Max Tian, Denis Kocetkov, Gopeshh Subbaraj, Raymond Li, Joel Lamy-Poirier, Sebastien Paquet, Torsten Scholak
Abstract: We introduce a framework for optimizing domain-specific dataset construction in foundation model training. Specifically, we seek a cost-efficient way to estimate the quality of data sources (e.g. synthetically generated or filtered web data, etc.) in order to make optimal decisions about resource allocation for data sourcing from these sources for the stage two pre-training phase, aka annealing, with the goal of specializing a generalist pre-trained model to specific domains. Our approach extends the usual point estimate approaches, aka micro-annealing, to estimating scaling laws by performing multiple annealing runs of varying compute spent on data curation and training. This addresses a key limitation in prior work, where reliance on point estimates for data scaling decisions can be misleading due to the lack of rank invariance across compute scales -- a phenomenon we confirm in our experiments. By systematically analyzing performance gains relative to acquisition costs, we find that scaling curves can be estimated for different data sources. Such scaling laws can inform cost effective resource allocation across different data acquisition methods (e.g. synthetic data), data sources (e.g. user or web data) and available compute resources. We validate our approach through experiments on a pre-trained model with 7 billion parameters. We adapt it to: a domain well-represented in the pre-training data -- the medical domain, and a domain underrepresented in the pretraining corpora -- the math domain. We show that one can efficiently estimate the scaling behaviors of a data source by running multiple annealing runs, which can lead to different conclusions, had one used point estimates using the usual micro-annealing technique instead. This enables data-driven decision-making for selecting and optimizing data sources.
Authors: Hanqi Zhou, Fryderyk Mantiuk, David G. Nagy, Charley M. Wu
Abstract: The pursuit of general intelligence has traditionally centered on external objectives: an agent's control over its environments or mastery of specific tasks. This external focus, however, can produce specialized agents that lack adaptability. We propose representational empowerment, a new perspective towards a truly agent-centric learning paradigm by moving the locus of control inward. This objective measures an agent's ability to controllably maintain and diversify its own knowledge structures. We posit that the capacity -- to shape one's own understanding -- is an element for achieving better ``preparedness'' distinct from direct environmental influence. Focusing on internal representations as the main substrate for computing empowerment offers a new lens through which to design adaptable intelligent systems.
Authors: Sergio Calvo-Ordonez, Matthieu Meunier, Alvaro Cartea, Christoph Reisinger, Yarin Gal, Jose Miguel Hernandez-Lobato
Abstract: Conditional flow matching (CFM) has emerged as a powerful framework for training continuous normalizing flows due to its computational efficiency and effectiveness. However, standard CFM often produces paths that deviate significantly from straight-line interpolations between prior and target distributions, making generation slower and less accurate due to the need for fine discretization at inference. Recent methods enhance CFM performance by inducing shorter and straighter trajectories but typically rely on computationally expensive mini-batch optimal transport (OT). Drawing insights from entropic optimal transport (EOT), we propose Weighted Conditional Flow Matching (W-CFM), a novel approach that modifies the classical CFM loss by weighting each training pair $(x, y)$ with a Gibbs kernel. We show that this weighting recovers the entropic OT coupling up to some bias in the marginals, and we provide the conditions under which the marginals remain nearly unchanged. Moreover, we establish an equivalence between W-CFM and the minibatch OT method in the large-batch limit, showing how our method overcomes computational and performance bottlenecks linked to batch size. Empirically, we test our method on unconditional generation on various synthetic and real datasets, confirming that W-CFM achieves comparable or superior sample quality, fidelity, and diversity to other alternative baselines while maintaining the computational efficiency of vanilla CFM.
Authors: Afonso Martini Spezia, Mariana Recamonde-Mendoza
Abstract: Cross-validation plays a fundamental role in Machine Learning, enabling robust evaluation of model performance and preventing overestimation on training and validation data. However, one of its drawbacks is the potential to create data subsets (folds) that do not adequately represent the diversity of the original dataset, which can lead to biased performance estimates. The objective of this work is to deepen the investigation of cluster-based cross-validation strategies by analyzing the performance of different clustering algorithms through experimental comparison. Additionally, a new cross-validation technique that combines Mini Batch K-Means with class stratification is proposed. Experiments were conducted on 20 datasets (both balanced and imbalanced) using four supervised learning algorithms, comparing cross-validation strategies in terms of bias, variance, and computational cost. The technique that uses Mini Batch K-Means with class stratification outperformed others in terms of bias and variance on balanced datasets, though it did not significantly reduce computational cost. On imbalanced datasets, traditional stratified cross-validation consistently performed better, showing lower bias, variance, and computational cost, making it a safe choice for performance evaluation in scenarios with class imbalance. In the comparison of different clustering algorithms, no single algorithm consistently stood out as superior. Overall, this work contributes to improving predictive model evaluation strategies by providing a deeper understanding of the potential of cluster-based data splitting techniques and reaffirming the effectiveness of well-established strategies like stratified cross-validation. Moreover, it highlights perspectives for increasing the robustness and reliability of model evaluations, especially in datasets with clustering characteristics.
Authors: Romulo B. da Silva, Diego Passos, C\'assio M. Oishi, J. Nathan Kutz
Abstract: We present CS-SHRED, a novel deep learning architecture that integrates Compressed Sensing (CS) into a Shallow Recurrent Decoder (SHRED) to reconstruct spatiotemporal dynamics from incomplete, compressed, or corrupted data. Our approach introduces two key innovations. First, by incorporating CS techniques into the SHRED architecture, our method leverages a batch-based forward framework with $\ell_1$ regularization to robustly recover signals even in scenarios with sparse sensor placements, noisy measurements, and incomplete sensor acquisitions. Second, an adaptive loss function dynamically combines Mean Squared Error (MSE) and Mean Absolute Error (MAE) terms with a piecewise Signal-to-Noise Ratio (SNR) regularization, which suppresses noise and outliers in low-SNR regions while preserving fine-scale features in high-SNR regions. We validate CS-SHRED on challenging problems including viscoelastic fluid flows, maximum specific humidity fields, sea surface temperature distributions, and rotating turbulent flows. Compared to the traditional SHRED approach, CS-SHRED achieves significantly higher reconstruction fidelity -- as demonstrated by improved SSIM and PSNR values, lower normalized errors, and enhanced LPIPS scores-thereby providing superior preservation of small-scale structures and increased robustness against noise and outliers. Our results underscore the advantages of the jointly trained CS and SHRED design architecture which includes an LSTM sequence model for characterizing the temporal evolution with a shallow decoder network (SDN) for modeling the high-dimensional state space. The SNR-guided adaptive loss function for the spatiotemporal data recovery establishes CS-SHRED as a promising tool for a wide range of applications in environmental, climatic, and scientific data analyses.
Authors: Chen Zhang, Husheng Li, Xiang Liu, Linshan Jiang, Danxin Wang
Abstract: Recent advances in personalized federated learning have focused on addressing client model heterogeneity. However, most existing methods still require external data, rely on model decoupling, or adopt partial learning strategies, which can limit their practicality and scalability. In this paper, we revisit hypernetwork-based methods and leverage their strong generalization capabilities to design a simple yet effective framework for heterogeneous personalized federated learning. Specifically, we propose MH-pFedHN, which leverages a server-side hypernetwork that takes client-specific embedding vectors as input and outputs personalized parameters tailored to each client's heterogeneous model. To promote knowledge sharing and reduce computation, we introduce a multi-head structure within the hypernetwork, allowing clients with similar model sizes to share heads. Furthermore, we further propose MH-pFedHNGD, which integrates an optional lightweight global model to improve generalization. Our framework does not rely on external datasets and does not require disclosure of client model architectures, thereby offering enhanced privacy and flexibility. Extensive experiments on multiple benchmarks and model settings demonstrate that our approach achieves competitive accuracy, strong generalization, and serves as a robust baseline for future research in model-heterogeneous personalized federated learning.
Authors: Salar Basiri, Dhananjay Tiwari, Srinivasa M. Salapaka
Abstract: We propose a scalable deep learning framework for parametrized sequential decision-making (ParaSDM), where multiple agents jointly optimize discrete action policies and shared continuous parameters. A key subclass of this setting arises in Facility-Location and Path Optimization (FLPO), where multi-agent systems must simultaneously determine optimal routes and facility locations, aiming to minimize the cumulative transportation cost within the network. FLPO problems are NP-hard due to their mixed discrete-continuous structure and highly non-convex objective. To address this, we integrate the Maximum Entropy Principle (MEP) with a neural policy model called the Shortest Path Network (SPN)-a permutation-invariant encoder-decoder that approximates the MEP solution while enabling efficient gradient-based optimization over shared parameters. The SPN achieves up to 100$\times$ speedup in policy inference and gradient computation compared to MEP baselines, with an average optimality gap of approximately 6% across a wide range of problem sizes. Our FLPO approach yields over 10$\times$ lower cost than metaheuristic baselines while running significantly faster, and matches Gurobi's optimal cost with annealing at a 1500$\times$ speedup-establishing a new state of the art for ParaSDM problems. These results highlight the power of structured deep models for solving large-scale mixed-integer optimization tasks.
Authors: Seokho Han, Seoyeon Yoon, Jinhee Kim, Dongwei Wang, Kang Eun Jeon, Huanrui Yang, Jong Hwan Ko
Abstract: As deep neural networks (DNNs) see increased deployment on mobile and edge devices, optimizing model efficiency has become crucial. Mixed-precision quantization is widely favored, as it offers a superior balance between efficiency and accuracy compared to uniform quantization. However, finding the optimal precision for each layer is challenging. Recent studies utilizing bit-level sparsity have shown promise, yet they often introduce substantial training complexity and high GPU memory requirements. In this paper, we propose Memory-Efficient Bit Sparsification Quantization (MSQ), a novel approach that addresses these limitations. MSQ applies a round-clamp quantizer to enable differentiable computation of the least significant bits (LSBs) from model weights. It further employs regularization to induce sparsity in these LSBs, enabling effective precision reduction without explicit bit-level parameter splitting. Additionally, MSQ incorporates Hessian information, allowing the simultaneous pruning of multiple LSBs to further enhance training efficiency. Experimental results show that MSQ achieves up to 8.00x reduction in trainable parameters and up to 86% reduction in training time compared to previous bit-level quantization, while maintaining competitive accuracy and compression rates. This makes it a practical solution for training efficient DNNs on resource-constrained devices.
Authors: D. Veerababu, Prasanta K. Ghosh
Abstract: Neural networks constrained by the physical laws emerged as an alternate numerical tool. In this paper, the governing equation that represents the propagation of sound inside a one-dimensional duct carrying a heterogeneous medium is derived. The problem is converted into an unconstrained optimization problem and solved using neural networks. Both the acoustic state variables: acoustic pressure and particle velocity are predicted and validated with the traditional Runge-Kutta solver. The effect of the temperature gradient on the acoustic field is studied. Utilization of machine learning techniques such as transfer learning and automatic differentiation for acoustic applications is demonstrated.
Authors: Songsheng Wang, Rucheng Yu, Zhihang Yuan, Chao Yu, Feng Gao, Yu Wang, Derek F. Wong
Abstract: Vision-Language-Action (VLA) models have made substantial progress by leveraging the robust capabilities of Visual Language Models (VLMs). However, VLMs' significant parameter size and autoregressive (AR) decoding nature impose considerable computational demands on VLA models. While Speculative Decoding (SD) has shown efficacy in accelerating Large Language Models (LLMs) by incorporating efficient drafting and parallel verification, allowing multiple tokens to be generated in one forward pass, its application to VLA models remains unexplored. This work introduces Spec-VLA, an SD framework designed to accelerate VLA models. Due to the difficulty of the action prediction task and the greedy decoding mechanism of the VLA models, the direct application of the advanced SD framework to the VLA prediction task yields a minor speed improvement. To boost the generation speed, we propose an effective mechanism to relax acceptance utilizing the relative distances represented by the action tokens of the VLA model. Empirical results across diverse test scenarios affirm the effectiveness of the Spec-VLA framework, and further analysis substantiates the impact of our proposed strategies, which enhance the acceptance length by 44%, achieving 1.42 times speedup compared with the OpenVLA baseline, without compromising the success rate. The success of the Spec-VLA framework highlights the potential for broader application of speculative execution in VLA prediction scenarios.
Authors: Clemens Witt, Thiemo Leonhardt, Nadine Bergner, Mareen Grillenberger
Abstract: Machine learning models are widely used to support stealth assessment in digital learning environments. Existing approaches typically rely on abstracted gameplay log data, which may overlook subtle behavioral cues linked to learners' cognitive strategies. This paper proposes a multimodal late fusion model that integrates screencast-based visual data and structured in-game action sequences to classify students' problem-solving strategies. In a pilot study with secondary school students (N=149) playing a multitouch educational game, the fusion model outperformed unimodal baseline models, increasing classification accuracy by over 15%. Results highlight the potential of multimodal ML for strategy-sensitive assessment and adaptive support in interactive learning contexts.
Authors: Yunrui Yu, Hang Su, Cheng-zhong Xu, Zhizhong Su, Jun Zhu
Abstract: Gradient-based adversarial attacks using the Cross-Entropy (CE) loss often suffer from overestimation due to relative errors in gradient computation induced by floating-point arithmetic. This paper provides a rigorous theoretical analysis of these errors, conducting the first comprehensive study of floating-point computation errors in gradient-based attacks across four distinct scenarios: (i) unsuccessful untargeted attacks, (ii) successful untargeted attacks, (iii) unsuccessful targeted attacks, and (iv) successful targeted attacks. We establish theoretical foundations characterizing the behavior of relative numerical errors under different attack conditions, revealing previously unknown patterns in gradient computation instability, and identify floating-point underflow and rounding as key contributors. Building on this insight, we propose the Theoretical MIFPE (T-MIFPE) loss function, which incorporates an optimal scaling factor $T = t^*$ to minimize the impact of floating-point errors, thereby enhancing the accuracy of gradient computation in adversarial attacks. Extensive experiments on the MNIST, CIFAR-10, and CIFAR-100 datasets demonstrate that T-MIFPE outperforms existing loss functions, including CE, C\&W, DLR, and MIFPE, in terms of attack potency and robustness evaluation accuracy.
Authors: Yixuan Nan, Xixun Lin, Yanmin Shang, Zhuofan Li, Can Zhao, Yanan Cao
Abstract: Network alignment has attracted widespread attention in various fields. However, most existing works mainly focus on the problem of label sparsity, while overlooking the issue of noise in network alignment, which can substantially undermine model performance. Such noise mainly includes structural noise from noisy edges and labeling noise caused by human-induced and process-driven errors. To address these problems, we propose RANA, a Robust Active learning framework for noisy Network Alignment. RANA effectively tackles both structure noise and label noise while addressing the sparsity of anchor link annotations, which can improve the robustness of network alignment models. Specifically, RANA introduces the proposed Noise-aware Selection Module and the Label Denoising Module to address structural noise and labeling noise, respectively. In the first module, we design a noise-aware maximization objective to select node pairs, incorporating a cleanliness score to address structural noise. In the second module, we propose a novel multi-source fusion denoising strategy that leverages model and twin node pairs labeling to provide more accurate labels for node pairs. Empirical results on three real-world datasets demonstrate that RANA outperforms state-of-the-art active learning-based methods in alignment accuracy. Our code is available at https://github.com/YXNan0110/RANA.
Authors: Yunrui Yu, Kafeng Wang, Hang Su, Jun Zhu
Abstract: Despite their widespread success, deep neural networks remain critically vulnerable to adversarial attacks, posing significant risks in safety-sensitive applications. This paper investigates activation functions as a crucial yet underexplored component for enhancing model robustness. We propose a Rademacher Complexity Reduction Activation Function (RCR-AF), a novel activation function designed to improve both generalization and adversarial resilience. RCR-AF uniquely combines the advantages of GELU (including smoothness, gradient stability, and negative information retention) with ReLU's desirable monotonicity, while simultaneously controlling both model sparsity and capacity through built-in clipping mechanisms governed by two hyperparameters, $\alpha$ and $\gamma$. Our theoretical analysis, grounded in Rademacher complexity, demonstrates that these parameters directly modulate the model's Rademacher complexity, offering a principled approach to enhance robustness. Comprehensive empirical evaluations show that RCR-AF consistently outperforms widely-used alternatives (ReLU, GELU, and Swish) in both clean accuracy under standard training and in adversarial robustness within adversarial training paradigms.
Authors: Peng-Yi Wu, Pei-Cing Huang, Ting-Yu Chen, Chantung Ku, Ming-Yen Lin, Yihuang Kang
Abstract: Accurate and interpretable prediction of estimated glomerular filtration rate (eGFR) is essential for managing chronic kidney disease (CKD) and supporting clinical decisions. Recent advances in Large Multimodal Models (LMMs) have shown strong potential in clinical prediction tasks due to their ability to process visual and textual information. However, challenges related to deployment cost, data privacy, and model reliability hinder their adoption. In this study, we propose a collaborative framework that enhances the performance of open-source LMMs for eGFR forecasting while generating clinically meaningful explanations. The framework incorporates visual knowledge transfer, abductive reasoning, and a short-term memory mechanism to enhance prediction accuracy and interpretability. Experimental results show that the proposed framework achieves predictive performance and interpretability comparable to proprietary models. It also provides plausible clinical reasoning processes behind each prediction. Our method sheds new light on building AI systems for healthcare that combine predictive accuracy with clinically grounded interpretability.
Authors: Wei Guo, Yiyang Duan, Zhaojun Hu, Yiqi Tong, Fuzhen Zhuang, Xiao Zhang, Jin Dong, Ruofan Wu, Tengfei Liu, Yifan Sun
Abstract: In vertical federated learning (VFL), multiple enterprises address aligned sample scarcity by leveraging massive locally unaligned samples to facilitate collaborative learning. However, unaligned samples across different parties in VFL can be extremely class-imbalanced, leading to insufficient feature representation and limited model prediction space. Specifically, class-imbalanced problems consist of intra-party class imbalance and inter-party class imbalance, which can further cause local model bias and feature contribution inconsistency issues, respectively. To address the above challenges, we propose Proto-EVFL, an enhanced VFL framework via dual prototypes. We first introduce class prototypes for each party to learn relationships between classes in the latent space, allowing the active party to predict unseen classes. We further design a probabilistic dual prototype learning scheme to dynamically select unaligned samples by conditional optimal transport cost with class prior probability. Moreover, a mixed prior guided module guides this selection process by combining local and global class prior probabilities. Finally, we adopt an \textit{adaptive gated feature aggregation strategy} to mitigate feature contribution inconsistency by dynamically weighting and aggregating local features across different parties. We proved that Proto-EVFL, as the first bi-level optimization framework in VFL, has a convergence rate of 1/\sqrt T. Extensive experiments on various datasets validate the superiority of our Proto-EVFL. Even in a zero-shot scenario with one unseen class, it outperforms baselines by at least 6.97%
Authors: Xiang Li, Qianli Shen, Haonan Wang, Kenji Kawaguchi
Abstract: Recent generative models face significant risks of producing harmful content, which has underscored the importance of machine unlearning (MU) as a critical technique for eliminating the influence of undesired data. However, existing MU methods typically assign the same weight to all data to be forgotten, which makes it difficult to effectively forget certain data that is harder to unlearn than others. In this paper, we empirically demonstrate that the loss of data itself can implicitly reflect its varying difficulty. Building on this insight, we introduce Loss-based Reweighting Unlearning (LoReUn), a simple yet effective plug-and-play strategy that dynamically reweights data during the unlearning process with minimal additional computational overhead. Our approach significantly reduces the gap between existing MU methods and exact unlearning in both image classification and generation tasks, effectively enhancing the prevention of harmful content generation in text-to-image diffusion models.
Authors: Lorenzo Nespoli, Anubhab Biswas, Vasco Medici
Abstract: Forecast reconciliation, an ex-post technique applied to forecasts that must satisfy constraints, has been a prominent topic in the forecasting literature over the past two decades. Recently, several efforts have sought to extend reconciliation methods to the probabilistic settings. Nevertheless, formal theorems demonstrating error reduction in nonlinear contexts, analogous to those presented in Panagiotelis et al.(2021), are still lacking. This paper addresses that gap by establishing such theorems for various classes of nonlinear hypersurfaces and vector-valued functions. Specifically, we derive an exact analog of Theorem 3.1 from Panagiotelis et al.(2021) for hypersurfaces with constant-sign curvature. Additionally, we provide probabilistic guarantees for the broader case of hypersurfaces with non-constant-sign curvature and for general vector-valued functions. To support reproducibility and practical adoption, we release a JAX-based Python package, \emph{to be released upon publication}, implementing the presented theorems and reconciliation procedures.
Authors: Philip Spence, Brooks Paige, Anne Osbourn
Abstract: Molecular property prediction is an increasingly critical task within drug discovery and development. Typically, neural networks can learn molecular properties using graph-based, language-based or feature-based methods. Recent advances in natural language processing have highlighted the capabilities of neural networks to learn complex human language using masked language modelling. These approaches to training large transformer-based deep learning models have also been used to learn the language of molecules, as represented by simplified molecular-input line-entry system (SMILES) strings. Here, we present novel domain-specific text-to-text pretraining tasks that yield improved performance in six classification-based molecular property prediction benchmarks, relative to both traditional likelihood-based training and previously proposed fine-tuning tasks. Through ablation studies, we show that data and computational efficiency can be improved by using these domain-specific pretraining tasks. Finally, the pretrained embeddings from the model can be used as fixed inputs into a downstream machine learning classifier and yield comparable performance to finetuning but with much lower computational overhead.
Authors: Fang Wang, Paolo Ceravolo, Ernesto Damiani
Abstract: We propose HGCN(O), a self-tuning toolkit using Graph Convolutional Network (GCN) models for event sequence prediction. Featuring four GCN architectures (O-GCN, T-GCN, TP-GCN, TE-GCN) across the GCNConv and GraphConv layers, our toolkit integrates multiple graph representations of event sequences with different choices of node- and graph-level attributes and in temporal dependencies via edge weights, optimising prediction accuracy and stability for balanced and unbalanced datasets. Extensive experiments show that GCNConv models excel on unbalanced data, while all models perform consistently on balanced data. Experiments also confirm the superior performance of HGCN(O) over traditional approaches. Applications include Predictive Business Process Monitoring (PBPM), which predicts future events or states of a business process based on event logs.
Authors: Kuan-Ting Tu, Po-Hsien Yu, Yu-Syuan Tseng, Shao-Yi Chien
Abstract: Network compression techniques have become increasingly important in recent years because the loads of Deep Neural Networks (DNNs) are heavy for edge devices in real-world applications. While many methods compress neural network parameters, deploying these models on edge devices remains challenging. To address this, we propose the fractional Gaussian filter and pruning (FGFP) framework, which integrates fractional-order differential calculus and Gaussian function to construct fractional Gaussian filters (FGFs). To reduce the computational complexity of fractional-order differential operations, we introduce Gr\"unwald-Letnikov fractional derivatives to approximate the fractional-order differential equation. The number of parameters for each kernel in FGF is minimized to only seven. Beyond the architecture of Fractional Gaussian Filters, our FGFP framework also incorporates Adaptive Unstructured Pruning (AUP) to achieve higher compression ratios. Experiments on various architectures and benchmarks show that our FGFP framework outperforms recent methods in accuracy and compression. On CIFAR-10, ResNet-20 achieves only a 1.52% drop in accuracy while reducing the model size by 85.2%. On ImageNet2012, ResNet-50 achieves only a 1.63% drop in accuracy while reducing the model size by 69.1%.
Authors: Kranthi Kumar Talluri, Galia Weidl, Vaishnavi Kasuluru
Abstract: Traffic congestion due to uncertainties, such as accidents, is a significant issue in urban areas, as the ripple effect of accidents causes longer delays, increased emissions, and safety concerns. To address this issue, we propose a robust framework for predicting the impact of accidents on congestion. We implement Automated Machine Learning (AutoML)-enhanced Deep Embedding Clustering (DEC) to assign congestion labels to accident data and predict congestion probability using a Bayesian Network (BN). The Simulation of Urban Mobility (SUMO) simulation is utilized to evaluate the correctness of BN predictions using evidence-based scenarios. Results demonstrate that the AutoML-enhanced DEC has outperformed traditional clustering approaches. The performance of the proposed BN model achieved an overall accuracy of 95.6%, indicating its ability to understand the complex relationship of accidents causing congestion. Validation in SUMO with evidence-based scenarios demonstrated that the BN model's prediction of congestion states closely matches those of SUMO, indicating the high reliability of the proposed BN model in ensuring smooth urban mobility.
Authors: Yanjin He, Qingkai Zeng, Meng Jiang
Abstract: Tokenization is a fundamental step in natural language processing (NLP) and other sequence modeling domains, where the choice of vocabulary size significantly impacts model performance. Despite its importance, selecting an optimal vocabulary size remains underexplored, typically relying on heuristics or dataset-specific choices. In this work, we propose a principled method for determining the vocabulary size by analyzing token frequency distributions through Zipf's law. We show that downstream task performance correlates with how closely token distributions follow power-law behavior, and that aligning with Zipfian scaling improves both model efficiency and effectiveness. Extensive experiments across NLP, genomics, and chemistry demonstrate that models consistently achieve peak performance when the token distribution closely adheres to Zipf's law, establishing Zipfian alignment as a robust and generalizable criterion for vocabulary size selection.
Authors: George Tsormpatzoglou, Filip Sabo, Aida Todri-Sanial
Abstract: We describe a thermodynamic-inspired computing paradigm based on oscillatory neural networks (ONNs). While ONNs have been widely studied as Ising machines for tackling complex combinatorial optimization problems, this work investigates their feasibility in solving linear algebra problems, specifically the inverse matrix. Grounded in thermodynamic principles, we analytically demonstrate that the linear approximation of the coupled Kuramoto oscillator model leads to the inverse matrix solution. Numerical simulations validate the theoretical framework, and we examine the parameter regimes that computation has the highest accuracy.
Authors: Joshua Dimasaka, Christian Gei{\ss}, Emily So
Abstract: To understand our global progress for sustainable development and disaster risk reduction in many developing economies, two recent major initiatives - the Uniform African Exposure Dataset of the Global Earthquake Model (GEM) Foundation and the Modelling Exposure through Earth Observation Routines (METEOR) Project - implemented classical spatial disaggregation techniques to generate large-scale mapping of urban morphology using the information from various satellite imagery and its derivatives, geospatial datasets of the built environment, and subnational census statistics. However, the local discrepancy with well-validated census statistics and the propagated model uncertainties remain a challenge in such coarse-to-fine-grained mapping problems, specifically constrained by weak and conditional label supervision. Therefore, we present Deep Conditional Census-Constrained Clustering (DeepC4), a novel deep learning-based spatial disaggregation approach that incorporates local census statistics as cluster-level constraints while considering multiple conditional label relationships in a joint multitask learning of the patterns of satellite imagery. To demonstrate, compared to GEM and METEOR, we enhanced the quality of Rwandan maps of urban morphology, specifically building exposure and physical vulnerability, at the third-level administrative unit from the 2022 census. As the world approaches the conclusion of our global frameworks in 2030, our work has offered a new deep learning-based mapping technique towards a spatial auditing of our existing coarse-grained derived information at large scales.
Authors: Yuanzhe Jin
Abstract: Evaluating the performance of closely matched machine learning(ML) models under specific conditions has long been a focus of researchers in the field of machine learning. The Rashomon set is a collection of closely matched ML models, encompassing a wide range of models with similar accuracies but different structures. Traditionally, the analysis of these sets has focused on vertical structural analysis, which involves comparing the corresponding features at various levels within the ML models. However, there has been a lack of effective visualization methods for horizontally comparing multiple models with specific features. We propose the VAR visualization solution. VAR uses visualization to perform comparisons of ML models within the Rashomon set. This solution combines heatmaps and scatter plots to facilitate the comparison. With the help of VAR, ML model developers can identify the optimal model under specific conditions and better understand the Rashomon set's overall characteristics.
Authors: Afshin Khadangi, Amir Sartipi, Igor Tchappi, Ramin Bahmani, Gilbert Fridgen
Abstract: The tension between data privacy and model utility has become the defining bottleneck for the practical deployment of large language models (LLMs) trained on sensitive corpora including healthcare. Differentially private stochastic gradient descent (DP-SGD) guarantees formal privacy, yet it does so at a pronounced cost: gradients are forcibly clipped and perturbed with noise, degrading sample efficiency and final accuracy. Numerous variants have been proposed to soften this trade-off, but they all share a handicap: their control knobs are hard-coded, global, and oblivious to the evolving optimization landscape. Consequently, practitioners are forced either to over-spend privacy budget in pursuit of utility, or to accept mediocre models in order to stay within privacy constraints. We present RLDP, the first framework to cast DP optimization itself as a closed-loop control problem amenable to modern deep reinforcement learning (RL). RLDP continuously senses rich statistics of the learning dynamics and acts by selecting fine-grained per parameter gradient-clipping thresholds as well as the magnitude of injected Gaussian noise. A soft actor-critic (SAC) hyper-policy is trained online during language model fine-tuning; it learns, from scratch, how to allocate the privacy budget where it matters and when it matters. Across more than 1,600 ablation experiments on GPT2-small, Llama-1B, Llama-3B, and Mistral-7B, RLDP delivers perplexity reductions of 1.3-30.5% (mean 5.4%) and an average 5.6% downstream utility gain. RLDP reaches each baseline's final utility after only 13-43% of the gradient-update budget (mean speed-up 71%), all while honoring the same ($\epsilon$, $\delta$)-DP contract and exhibiting equal or lower susceptibility to membership-inference and canary-extraction attacks.
Authors: Leandro Farina, Sergey Korotov
Abstract: This work demonstrates a methodology for using deep learning to discover simple, practical criteria for classifying matrices based on abstract algebraic properties. By combining a high-performance neural network with explainable AI (XAI) techniques, we can distill a model's learned strategy into human-interpretable rules. We apply this approach to the challenging case of monotone matrices, defined by the condition that their inverses are entrywise nonnegative. Despite their simple definition, an easy characterization in terms of the matrix elements or the derived parameters is not known. Here, we present, to the best of our knowledge, the first systematic machine-learning approach for deriving a practical criterion that distinguishes monotone from non-monotone matrices. After establishing a labelled dataset by randomly generated monotone and non-monotone matrices uniformly on $(-1,1)$, we employ deep neural network algorithms for classifying the matrices as monotone or non-monotone, using both their entries and a comprehensive set of matrix features. By saliency methods, such as integrated gradients, we identify among all features, two matrix parameters which alone provide sufficient information for the matrix classification, with $95\%$ accuracy, namely the absolute values of the two lowest-order coefficients, $c_0$ and $c_1$ of the matrix's characteristic polynomial. A data-driven study of 18,000 random $7\times7$ matrices shows that the monotone class obeys $\lvert c_{0}/c_{1}\rvert\le0.18$ with probability $>99.98\%$; because $\lvert c_{0}/c_{1}\rvert = 1/\mathrm{tr}(A^{-1})$ for monotone $A$, this is equivalent to the simple bound $\mathrm{tr}(A^{-1})\ge5.7$.
Authors: Alexandre Durrmeyer, Jean-Christophe Palauqui, Philippe Andrey
Abstract: The positioning of new cellular walls during cell division plays a key role in shaping plant tissue organization. The influence of cell geometry on the positioning of division planes has been previously captured into various geometrical rules. Accordingly, linking cell shape to division orientation has relied on the comparison between observed division patterns and predictions under specific rules. The need to define a priori the tested rules is a fundamental limitation of this hypothesis-driven approach. As an alternative, we introduce a data-based approach to investigate the relation between cell geometry and division plane positioning, exploiting the ability of deep neural network to learn complex relationships across multidimensional spaces. Adopting an image-based cell representation, we show how division patterns can be learned and predicted from mother cell geometry using a UNet architecture modified to operate on cell masks. Using synthetic data and A. thaliana embryo cells, we evaluate the model performances on a wide range of diverse cell shapes and division patterns. We find that the trained model accounted for embryo division patterns that were previously irreconcilable under existing geometrical rules. Our work shows the potential of deep networks to understand cell division patterns and to generate new hypotheses on the control of cell division positioning.
Authors: Wei Guo, Siyuan Lu, Yiqi Tong, Zhaojun Hu, Fuzhen Zhuang, Xiao Zhang, Tao Fan, Jin Dong
Abstract: Different from existing federated fine-tuning (FFT) methods for foundation models, hybrid heterogeneous federated fine-tuning (HHFFT) is an under-explored scenario where clients exhibit double heterogeneity in model architectures and downstream tasks. This hybrid heterogeneity introduces two significant challenges: 1) heterogeneous matrix aggregation, where clients adopt different large-scale foundation models based on their task requirements and resource limitations, leading to dimensional mismatches during LoRA parameter aggregation; and 2) multi-task knowledge interference, where local shared parameters, trained with both task-shared and task-specific knowledge, cannot ensure only task-shared knowledge is transferred between clients. To address these challenges, we propose H2Tune, a federated foundation model fine-tuning with hybrid heterogeneity. Our framework H2Tune consists of three key components: (i) sparsified triple matrix decomposition to align hidden dimensions across clients through constructing rank-consistent middle matrices, with adaptive sparsification based on client resources; (ii) relation-guided matrix layer alignment to handle heterogeneous layer structures and representation capabilities; and (iii) alternating task-knowledge disentanglement mechanism to decouple shared and specific knowledge of local model parameters through alternating optimization. Theoretical analysis proves a convergence rate of O(1/\sqrt{T}). Extensive experiments show our method achieves up to 15.4% accuracy improvement compared to state-of-the-art baselines. Our code is available at https://anonymous.4open.science/r/H2Tune-1407.
Authors: Lorenzo Volpi, Alejandro Moreo, Fabrizio Sebastiani
Abstract: Transductive learning is a supervised machine learning task in which, unlike in traditional inductive learning, the unlabelled data that require labelling are a finite set and are available at training time. Similarly to inductive learning contexts, transductive learning contexts may be affected by dataset shift, i.e., may be such that the IID assumption does not hold. We here propose a method, tailored to transductive classification contexts, for performing model selection (i.e., hyperparameter optimisation) when the data exhibit prior probability shift, an important type of dataset shift typical of anti-causal learning problems. In our proposed method the hyperparameters can be optimised directly on the unlabelled data to which the trained classifier must be applied; this is unlike traditional model selection methods, that are based on performing cross-validation on the labelled training data. We provide experimental results that show the benefits brought about by our method.
Authors: Max Sondag, Christofer Meinecke, Dennis Collaris, Tatiana von Landesberger, Stef van den Elzen
Abstract: Random forests are a machine learning method used to automatically classify datasets and consist of a multitude of decision trees. While these random forests often have higher performance and generalize better than a single decision tree, they are also harder to interpret. This paper presents a visualization method and system to increase interpretability of random forests. We cluster similar trees which enables users to interpret how the model performs in general without needing to analyze each individual decision tree in detail, or interpret an oversimplified summary of the full forest. To meaningfully cluster the decision trees, we introduce a new distance metric that takes into account both the decision rules as well as the predictions of a pair of decision trees. We also propose two new visualization methods that visualize both clustered and individual decision trees: (1) The Feature Plot, which visualizes the topological position of features in the decision trees, and (2) the Rule Plot, which visualizes the decision rules of the decision trees. We demonstrate the efficacy of our approach through a case study on the "Glass" dataset, which is a relatively complex standard machine learning dataset, as well as a small user study.
Authors: Filippo Utro, Meltem Tolunay, Kahn Rhrissorrakrai, Tanvi P. Gujarati, Jie Shi, Sara Capponi, Mirko Amico, Nate Earnest-Noble, Laxmi Parida
Abstract: Chimeric antigen receptor (CAR) T-cells are T-cells engineered to recognize and kill specific tumor cells. Through their extracellular domains, CAR T-cells bind tumor cell antigens which triggers CAR T activation and proliferation. These processes are regulated by co-stimulatory domains present in the intracellular region of the CAR T-cell. Through integrating novel signaling components into the co-stimulatory domains, it is possible to modify CAR T-cell phenotype. Identifying and experimentally testing new CAR constructs based on libraries of co-stimulatory domains is nontrivial given the vast combinatorial space defined by such libraries. This leads to a highly data constrained, poorly explored combinatorial problem, where the experiments undersample all possible combinations. We propose a quantum approach using a Projected Quantum Kernel (PQK) to address this challenge. PQK operates by embedding classical data into a high dimensional Hilbert space and employs a kernel method to measure sample similarity. Using 61 qubits on a gate-based quantum computer, we demonstrate the largest PQK application to date and an enhancement in the classification performance over purely classical machine learning methods for CAR T cytotoxicity prediction. Importantly, we show improved learning for specific signaling domains and domain positions, particularly where there was lower information highlighting the potential for quantum computing in data-constrained problems.
Authors: Felix Kronenwett, Georg Maier, Thomas Laengle
Abstract: Sensor-based sorting systems enable the physical separation of a material stream into two fractions. The sorting decision is based on the image data evaluation of the sensors used and is carried out using actuators. Various process parameters must be set depending on the properties of the material stream, the dimensioning of the system, and the required sorting accuracy. However, continuous verification and re-adjustment are necessary due to changing requirements and material stream compositions. In this paper, we introduce an approach for optimizing, recurrently monitoring and adjusting the process parameters of a sensor-based sorting system. Based on Bayesian Optimization, Gaussian process regression models are used as surrogate models to achieve specific requirements for system behavior with the uncertainties contained therein. This method minimizes the number of necessary experiments while simultaneously considering two possible optimization targets based on the requirements for both material output streams. In addition, uncertainties are considered during determining sorting accuracies in the model calculation. We evaluated the method with three example process parameters.
Authors: Soumyadeep Dhar, Kei Sen Fong, Mehul Motani
Abstract: Distilling large neural networks into simple, human-readable symbolic formulas is a promising path toward trustworthy and interpretable AI. However, this process is often brittle, as the complex functions learned by standard networks are poor targets for symbolic discovery, resulting in low-fidelity student models. In this work, we propose a novel training paradigm to address this challenge. Instead of passively distilling a pre-trained network, we introduce a \textbf{Jacobian-based regularizer} that actively encourages the ``teacher'' network to learn functions that are not only accurate but also inherently smoother and more amenable to distillation. We demonstrate through extensive experiments on a suite of real-world regression benchmarks that our method is highly effective. By optimizing the regularization strength for each problem, we improve the $R^2$ score of the final distilled symbolic model by an average of \textbf{120\% (relative)} compared to the standard distillation pipeline, all while maintaining the teacher's predictive accuracy. Our work presents a practical and principled method for significantly improving the fidelity of interpretable models extracted from complex neural networks.
Authors: Tim Fl\"uhmann, Alceu Bissoto, Trung-Dung Hoang, Lisa M. Koch
Abstract: Performance monitoring is essential for safe clinical deployment of image classification models. However, because ground-truth labels are typically unavailable in the target dataset, direct assessment of real-world model performance is infeasible. State-of-the-art performance estimation methods address this by leveraging confidence scores to estimate the target accuracy. Despite being a promising direction, the established methods mainly estimate the model's accuracy and are rarely evaluated in a clinical domain, where strong class imbalances and dataset shifts are common. Our contributions are twofold: First, we introduce generalisations of existing performance prediction methods that directly estimate the full confusion matrix. Then, we benchmark their performance on chest x-ray data in real-world distribution shifts as well as simulated covariate and prevalence shifts. The proposed confusion matrix estimation methods reliably predicted clinically relevant counting metrics on medical images under distribution shifts. However, our simulated shift scenarios exposed important failure modes of current performance estimation techniques, calling for a better understanding of real-world deployment contexts when implementing these performance monitoring techniques for postmarket surveillance of medical AI models.
Authors: Adit Vishnu, Abhay Shastry, Dhruva Kashyap, Chiranjib Bhattacharyya
Abstract: Density operators, quantum generalizations of probability distributions, are gaining prominence in machine learning due to their foundational role in quantum computing. Generative modeling based on density operator models (\textbf{DOMs}) is an emerging field, but existing training algorithms -- such as those for the Quantum Boltzmann Machine -- do not scale to real-world data, such as the MNIST dataset. The Expectation-Maximization algorithm has played a fundamental role in enabling scalable training of probabilistic latent variable models on real-world datasets. \textit{In this paper, we develop an Expectation-Maximization framework to learn latent variable models defined through \textbf{DOMs} on classical hardware, with resources comparable to those used for probabilistic models, while scaling to real-world data.} However, designing such an algorithm is nontrivial due to the absence of a well-defined quantum analogue to conditional probability, which complicates the Expectation step. To overcome this, we reformulate the Expectation step as a quantum information projection (QIP) problem and show that the Petz Recovery Map provides a solution under sufficient conditions. Using this formulation, we introduce the Density Operator Expectation Maximization (DO-EM) algorithm -- an iterative Minorant-Maximization procedure that optimizes a quantum evidence lower bound. We show that the \textbf{DO-EM} algorithm ensures non-decreasing log-likelihood across iterations for a broad class of models. Finally, we present Quantum Interleaved Deep Boltzmann Machines (\textbf{QiDBMs}), a \textbf{DOM} that can be trained with the same resources as a DBM. When trained with \textbf{DO-EM} under Contrastive Divergence, a \textbf{QiDBM} outperforms larger classical DBMs in image generation on the MNIST dataset, achieving a 40--60\% reduction in the Fr\'echet Inception Distance.
Authors: Junyu Wu, Weiming Chang, Xiaotao Liu, Guanyou He, Haoqiang Hong, Boqi Liu, Hongtao Tian, Tao Yang, Yunsheng Shi, Feng Lin, Ting Yao
Abstract: Reinforcement Learning from Human Feedback (RLHF) has become an increasingly popular paradigm for training large language models (LLMs) and diffusion models. While existing RLHF training systems have enabled significant progress, they often face challenges in scaling to multi-modal and diffusion workflows and adapting to dynamic workloads. In particular, current approaches may encounter limitations in controller scalability, flexible resource placement, and efficient orchestration when handling complex RLHF pipelines, especially in scenarios involving dynamic sampling or generative reward modeling. In this paper, we present \textbf{G-Core}, a simple, scalable, and balanced RLHF training framework designed to address these challenges. G-Core introduces a parallel controller programming model, enabling flexible and efficient orchestration of complex RLHF workflows without the bottlenecks of a single centralized controller. Furthermore, we propose a dynamic placement schema that adaptively partitions resources and schedules workloads, significantly reducing hardware idle time and improving utilization, even under highly variable training conditions. G-Core has successfully trained models that support WeChat product features serving a large-scale user base, demonstrating its effectiveness and robustness in real-world scenarios. Our results show that G-Core advances the state of the art in RLHF training, providing a solid foundation for future research and deployment of large-scale, human-aligned models.
Authors: Michael C. Burkhart, Bashar Ramadan, Luke Solo, William F. Parker, Brett K. Beaulieu-Jones
Abstract: We present a foundation model-derived method to identify highly informative tokens and events in electronic health records. Our approach considers incoming data in the entire context of a patient's hospitalization and so can flag anomalous events that rule-based approaches would consider within a normal range. We demonstrate that the events our model flags are significant for predicting downstream patient outcomes and that a fraction of events identified as carrying little information can safely be dropped. Additionally, we show how informativeness can help interpret the predictions of prognostic models trained on foundation model-derived representations.
Authors: Maciej Satkiewicz
Abstract: In this paper we argue that ReLU networks learn an implicit linear model we can actually tap into. We describe that alleged model formally and show that we can approximately pull its decision boundary back to the input space with certain simple modification to the backward pass. The resulting gradients (called excitation pullbacks) reveal high-resolution input- and target-specific features of remarkable perceptual alignment on a number of popular ImageNet-pretrained deep architectures. This strongly suggests that neural networks do, in fact, rely on learned interpretable patterns that can be recovered after training. Thus, our findings may have profound implications for knowledge discovery and the development of dependable artificial systems.
Authors: Yang Luo, Haoyang Luan, Haoyun Pan, Yongquan Jia, Xiaofeng Gao, Guihai Chen
Abstract: Accurate quality prediction in multi-process manufacturing is critical for industrial efficiency but hindered by three core challenges: time-lagged process interactions, overlapping operations with mixed periodicity, and inter-process dependencies in shared frequency bands. To address these, we propose PAF-Net, a frequency decoupled time series prediction framework with three key innovations: (1) A phase-correlation alignment method guided by frequency domain energy to synchronize time-lagged quality series, resolving temporal misalignment. (2) A frequency independent patch attention mechanism paired with Discrete Cosine Transform (DCT) decomposition to capture heterogeneous operational features within individual series. (3) A frequency decoupled cross attention module that suppresses noise from irrelevant frequencies, focusing exclusively on meaningful dependencies within shared bands. Experiments on 4 real-world datasets demonstrate PAF-Net's superiority. It outperforms 10 well-acknowledged baselines by 7.06% lower MSE and 3.88% lower MAE. Our code is available at https://github.com/StevenLuan904/PAF-Net-Official.
Authors: Zijing Zhang, Ziyang Chen, Mingxiao Li, Zhaopeng Tu, Xiaolong Li
Abstract: The development of autonomous agents for complex, long-horizon tasks is a central goal in AI. However, dominant training paradigms face a critical limitation: reinforcement learning (RL) methods that optimize solely for final task success often reinforce flawed or inefficient reasoning paths, a problem we term inefficient exploration. This leads to agents that are brittle and fail to generalize, as they learn to find solutions without learning how to reason coherently. To address this, we introduce RLVMR, a novel framework that integrates dense, process-level supervision into end-to-end RL by rewarding verifiable, meta-reasoning behaviors. RLVMR equips an agent to explicitly tag its cognitive steps, such as planning, exploration, and reflection, and provides programmatic, rule-based rewards for actions that contribute to effective problem-solving. These process-centric rewards are combined with the final outcome signal and optimized using a critic-free policy gradient method. On the challenging ALFWorld and ScienceWorld benchmarks, RLVMR achieves new state-of-the-art results, with our 7B model reaching an 83.6% success rate on the most difficult unseen task split. Our analysis confirms these gains stem from improved reasoning quality, including significant reductions in redundant actions and enhanced error recovery, leading to more robust, efficient, and interpretable agents.
Authors: Andrew Campbell, Anna Scaglione, Sean Peisert
Abstract: We propose a novel Decentralized Differentially Private Power Method (D-DP-PM) for performing Principal Component Analysis (PCA) in networked multi-agent settings. Unlike conventional decentralized PCA approaches where each agent accesses the full n-dimensional sample space, we address the challenging scenario where each agent observes only a subset of dimensions through row-wise data partitioning. Our method ensures $(\epsilon,\delta)$-Differential Privacy (DP) while enabling collaborative estimation of global eigenvectors across the network without requiring a central aggregator. We achieve this by having agents share only local embeddings of the current eigenvector iterate, leveraging both the inherent privacy from random initialization and carefully calibrated Gaussian noise additions. We prove that our algorithm satisfies the prescribed $(\epsilon,\delta)$-DP guarantee and establish convergence rates that explicitly characterize the impact of the network topology. Our theoretical analysis, based on linear dynamics and high-dimensional probability theory, provides tight bounds on both privacy and utility. Experiments on real-world datasets demonstrate that D-DP-PM achieves superior privacy-utility tradeoffs compared to naive local DP approaches, with particularly strong performance in moderate privacy regimes ($\epsilon\in[2, 5]$). The method converges rapidly, allowing practitioners to trade iterations for enhanced privacy while maintaining competitive utility.
Authors: Andris Ambainis, Joao F. Doriguello, Debbie Lim
Abstract: We propose novel classical and quantum online algorithms for learning finite-horizon and infinite-horizon average-reward Markov Decision Processes (MDPs). Our algorithms are based on a hybrid exploration-generative reinforcement learning (RL) model wherein the agent can, from time to time, freely interact with the environment in a generative sampling fashion, i.e., by having access to a "simulator". By employing known classical and new quantum algorithms for approximating optimal policies under a generative model within our learning algorithms, we show that it is possible to avoid several paradigms from RL like "optimism in the face of uncertainty" and "posterior sampling" and instead compute and use optimal policies directly, which yields better regret bounds compared to previous works. For finite-horizon MDPs, our quantum algorithms obtain regret bounds which only depend logarithmically on the number of time steps $T$, thus breaking the $O(\sqrt{T})$ classical barrier. This matches the time dependence of the prior quantum works of Ganguly et al. (arXiv'23) and Zhong et al. (ICML'24), but with improved dependence on other parameters like state space size $S$ and action space size $A$. For infinite-horizon MDPs, our classical and quantum bounds still maintain the $O(\sqrt{T})$ dependence but with better $S$ and $A$ factors. Nonetheless, we propose a novel measure of regret for infinite-horizon MDPs with respect to which our quantum algorithms have $\operatorname{poly}\log{T}$ regret, exponentially better compared to classical algorithms. Finally, we generalise all of our results to compact state spaces.
Authors: Amin Banayeeanzade, Fatemeh Bahrani, Yutai Zhou, Erdem B{\i}y{\i}k
Abstract: Imitation Learning (IL) is a widely adopted approach which enables agents to learn from human expert demonstrations by framing the task as a supervised learning problem. However, IL often suffers from causal confusion, where agents misinterpret spurious correlations as causal relationships, leading to poor performance in testing environments with distribution shift. To address this issue, we introduce GAze-Based Regularization in Imitation Learning (GABRIL), a novel method that leverages the human gaze data gathered during the data collection phase to guide the representation learning in IL. GABRIL utilizes a regularization loss which encourages the model to focus on causally relevant features identified through expert gaze and consequently mitigates the effects of confounding variables. We validate our approach in Atari environments and the Bench2Drive benchmark in CARLA by collecting human gaze datasets and applying our method in both domains. Experimental results show that the improvement of GABRIL over behavior cloning is around 179% more than the same number for other baselines in the Atari and 76% in the CARLA setup. Finally, we show that our method provides extra explainability when compared to regular IL agents.
Authors: Nicholas Mehlman, Jean-Christophe Gagnon-Audet, Michael Shvartsman, Kelvin Niu, Alexander H. Miller, Shagun Sodhani
Abstract: Surface electromyography (sEMG) signals offer a promising avenue for developing innovative human-computer interfaces by providing insights into muscular activity. However, the limited volume of training data and computational constraints during deployment have restricted the investigation of scaling up the model size for solving sEMG tasks. In this paper, we demonstrate that vanilla transformer models can be effectively scaled up on sEMG data and yield improved cross-user performance up to 110M parameters, surpassing the model size regime investigated in other sEMG research (usually <10M parameters). We show that >100M-parameter models can be effectively distilled into models 50x smaller with minimal loss of performance (<1.5% absolute). This results in efficient and expressive models suitable for complex real-time sEMG tasks in real-world environments.
Authors: Nicola Apollonio, Giovanni Franzina, Giovanni Luca Torrisi
Abstract: In this paper we consider posterior Bayesian fully connected and feedforward deep neural networks with dependent weights. Particularly, if the likelihood is Gaussian, we identify the distribution of the wide width limit and provide an algorithm to sample from the network. In the shallow case we explicitly compute the distribution of the output, proving that it is a Gaussian mixture. All the theoretical results are numerically validated.
Authors: Xianxuan Long, Yao Fu, Runchao Li, Mu Sheng, Haotian Yu, Xiaotian Han, Pan Li
Abstract: Large language models (LLMs) tend to follow maliciously crafted instructions to generate deceptive responses, posing safety challenges. How deceptive instructions alter the internal representations of LLM compared to truthful ones remains poorly understood beyond output analysis. To bridge this gap, we investigate when and how these representations ``flip'', such as from truthful to deceptive, under deceptive versus truthful/neutral instructions. Analyzing the internal representations of Llama-3.1-8B-Instruct and Gemma-2-9B-Instruct on a factual verification task, we find the model's instructed True/False output is predictable via linear probes across all conditions based on the internal representation. Further, we use Sparse Autoencoders (SAEs) to show that the Deceptive instructions induce significant representational shifts compared to Truthful/Neutral representations (which are similar), concentrated in early-to-mid layers and detectable even on complex datasets. We also identify specific SAE features highly sensitive to deceptive instruction and use targeted visualizations to confirm distinct truthful/deceptive representational subspaces. % Our analysis pinpoints layer-wise and feature-level correlates of instructed dishonesty, offering insights for LLM detection and control. Our findings expose feature- and layer-level signatures of deception, offering new insights for detecting and mitigating instructed dishonesty in LLMs.
Authors: Tavor Z. Baharav, Phillip B. Nicol, Rafael A. Irizarry, Rong Ma
Abstract: Modern data analysis increasingly requires identifying shared latent structure across multiple high-dimensional datasets. A commonly used model assumes that the data matrices are noisy observations of low-rank matrices with a shared singular subspace. In this case, two primary methods have emerged for estimating this shared structure, which vary in how they integrate information across datasets. The first approach, termed Stack-SVD, concatenates all the datasets, and then performs a singular value decomposition (SVD). The second approach, termed SVD-Stack, first performs an SVD separately for each dataset, then aggregates the top singular vectors across these datasets, and finally computes a consensus amongst them. While these methods are widely used, they have not been rigorously studied in the proportional asymptotic regime, which is of great practical relevance in today's world of increasing data size and dimensionality. This lack of theoretical understanding has led to uncertainty about which method to choose and limited the ability to fully exploit their potential. To address these challenges, we derive exact expressions for the asymptotic performance and phase transitions of these two methods and develop optimal weighting schemes to further improve both methods. Our analysis reveals that while neither method uniformly dominates the other in the unweighted case, optimally weighted Stack-SVD dominates optimally weighted SVD-Stack. We extend our analysis to accommodate multiple shared components, and provide practical algorithms for estimating optimal weights from data, offering theoretical guidance for method selection in practical data integration problems. Extensive numerical simulations and semi-synthetic experiments on genomic data corroborate our theoretical findings.
Authors: Adam M. Morgan, Adeen Flinker
Abstract: We present an automated pipeline for estimating Verb Frame Frequencies (VFFs), the frequency with which a verb appears in particular syntactic frames. VFFs provide a powerful window into syntax in both human and machine language systems, but existing tools for calculating them are limited in scale, accuracy, or accessibility. We use large language models (LLMs) to generate a corpus of sentences containing 476 English verbs. Next, by instructing an LLM to behave like an expert linguist, we had it analyze the syntactic structure of the sentences in this corpus. This pipeline outperforms two widely used syntactic parsers across multiple evaluation datasets. Furthermore, it requires far fewer resources than manual parsing (the gold-standard), thereby enabling rapid, scalable VFF estimation. Using the LLM parser, we produce a new VFF database with broader verb coverage, finer-grained syntactic distinctions, and explicit estimates of the relative frequencies of structural alternates commonly studied in psycholinguistics. The pipeline is easily customizable and extensible to new verbs, syntactic frames, and even other languages. We present this work as a proof of concept for automated frame frequency estimation, and release all code and data to support future research.
Authors: Arabind Swain, Sean Alexander Ridout, Ilya Nemenman
Abstract: Many data-science applications involve detecting a shared signal between two high-dimensional variables. Using random matrix theory methods, we determine when such signal can be detected and reconstructed from sample correlations, despite the background of sampling noise induced correlations. We consider three different covariance matrices constructed from two high-dimensional variables: their individual self covariance, their cross covariance, and the self covariance of the concatenated (joint) variable, which incorporates the self and the cross correlation blocks. We observe the expected Baik, Ben Arous, and P\'ech\'e detectability phase transition in all these covariance matrices, and we show that joint and cross covariance matrices always reconstruct the shared signal earlier than the self covariances. Whether the joint or the cross approach is better depends on the mismatch of dimensionalities between the variables. We discuss what these observations mean for choosing the right method for detecting linear correlations in data and how these findings may generalize to nonlinear statistical dependencies.
Authors: Jayanth Yetukuri, Ishita Khan
Abstract: Understanding and modeling buyer intent is a foundational challenge in optimizing search query reformulation within the dynamic landscape of e-commerce search systems. This work introduces a robust data pipeline designed to mine and analyze large-scale buyer query logs, with a focus on extracting fine-grained intent signals from both explicit interactions and implicit behavioral cues. Leveraging advanced sequence mining techniques and supervised learning models, the pipeline systematically captures patterns indicative of latent purchase intent, enabling the construction of a high-fidelity, intent-rich dataset. The proposed framework facilitates the development of adaptive query rewrite strategies by grounding reformulations in inferred user intent rather than surface-level lexical signals. This alignment between query rewriting and underlying user objectives enhances both retrieval relevance and downstream engagement metrics. Empirical evaluations across multiple product verticals demonstrate measurable gains in precision-oriented relevance metrics, underscoring the efficacy of intent-aware reformulation. Our findings highlight the value of intent-centric modeling in bridging the gap between sparse user inputs and complex product discovery goals, and establish a scalable foundation for future research in user-aligned neural retrieval and ranking systems.
Authors: Andrew Kyle Lampinen, Stephanie C. Y. Chan, Yuxuan Li, Katherine Hermann
Abstract: A common approach in neuroscience is to study neural representations as a means to understand a system -- increasingly, by relating the neural representations to the internal representations learned by computational models. However, a recent work in machine learning (Lampinen, 2024) shows that learned feature representations may be biased to over-represent certain features, and represent others more weakly and less-consistently. For example, simple (linear) features may be more strongly and more consistently represented than complex (highly nonlinear) features. These biases could pose challenges for achieving full understanding of a system through representational analysis. In this perspective, we illustrate these challenges -- showing how feature representation biases can lead to strongly biased inferences from common analyses like PCA, regression, and RSA. We also present homomorphic encryption as a simple case study of the potential for strong dissociation between patterns of representation and computation. We discuss the implications of these results for representational comparisons between systems, and for neuroscience more generally.
Authors: Ahmed Sabbah, Radi Jarrar, Samer Zein, David Mohaisen
Abstract: Permission analysis is a widely used method for Android malware detection. It involves examining the permissions requested by an application to access sensitive data or perform potentially malicious actions. In recent years, various machine learning (ML) algorithms have been applied to Android malware detection using permission-based features and feature selection techniques, often achieving high accuracy. However, these studies have largely overlooked important factors such as protection levels and the deprecation or restriction of permissions due to updates in the Android OS -- factors that can contribute to concept drift. In this study, we investigate the impact of deprecated and restricted permissions on the performance of machine learning models. A large dataset containing 166 permissions was used, encompassing more than 70,000 malware and benign applications. Various machine learning and deep learning algorithms were employed as classifiers, along with different concept drift detection strategies. The results suggest that Android permissions are highly effective features for malware detection, with the exclusion of deprecated and restricted permissions having only a marginal impact on model performance. In some cases, such as with CNN, accuracy improved. Excluding these permissions also enhanced the detection of concept drift using a year-to-year analysis strategy. Dataset balancing further improved model performance, reduced low-accuracy instances, and enhanced concept drift detection via the Kolmogorov-Smirnov test.
Authors: Faisal Ahmed
Abstract: The analysis of fundus images is critical for the early detection and diagnosis of retinal diseases such as Diabetic Retinopathy (DR), Glaucoma, and Age-related Macular Degeneration (AMD). Traditional diagnostic workflows, however, often depend on manual interpretation and are both time- and resource-intensive. To address these limitations, we propose an automated and interpretable clinical decision support framework based on a hybrid feature extraction model called HOG-CNN. Our key contribution lies in the integration of handcrafted Histogram of Oriented Gradients (HOG) features with deep convolutional neural network (CNN) representations. This fusion enables our model to capture both local texture patterns and high-level semantic features from retinal fundus images. We evaluated our model on three public benchmark datasets: APTOS 2019 (for binary and multiclass DR classification), ORIGA (for Glaucoma detection), and IC-AMD (for AMD diagnosis); HOG-CNN demonstrates consistently high performance. It achieves 98.5\% accuracy and 99.2 AUC for binary DR classification, and 94.2 AUC for five-class DR classification. On the IC-AMD dataset, it attains 92.8\% accuracy, 94.8\% precision, and 94.5 AUC, outperforming several state-of-the-art models. For Glaucoma detection on ORIGA, our model achieves 83.9\% accuracy and 87.2 AUC, showing competitive performance despite dataset limitations. We show, through comprehensive appendix studies, the complementary strength of combining HOG and CNN features. The model's lightweight and interpretable design makes it particularly suitable for deployment in resource-constrained clinical environments. These results position HOG-CNN as a robust and scalable tool for automated retinal disease screening.
Authors: Galo Castillo-L\'opez, Ga\"el de Chalendar, Nasredine Semmar
Abstract: Intent recognition is a fundamental component in task-oriented dialogue systems (TODS). Determining user intents and detecting whether an intent is Out-of-Scope (OOS) is crucial for TODS to provide reliable responses. However, traditional TODS require large amount of annotated data. In this work we propose a hybrid approach to combine BERT and LLMs in zero and few-shot settings to recognize intents and detect OOS utterances. Our approach leverages LLMs generalization power and BERT's computational efficiency in such scenarios. We evaluate our method on multi-party conversation corpora and observe that sharing information from BERT outputs to LLMs leads to system performance improvement.
Authors: Christopher F. Brown, Michal R. Kazmierski, Valerie J. Pasquarella, William J. Rucklidge, Masha Samsikova, Chenhui Zhang, Evan Shelhamer, Estefania Lahera, Olivia Wiles, Simon Ilyushchenko, Noel Gorelick, Lihui Lydia Zhang, Sophia Alj, Emily Schechter, Sean Askay, Oliver Guinan, Rebecca Moore, Alexis Boukouvalas, Pushmeet Kohli
Abstract: Unprecedented volumes of Earth observation data are continually collected around the world, but high-quality labels remain scarce given the effort required to make physical measurements and observations. This has led to considerable investment in bespoke modeling efforts translating sparse labels into maps. Here we introduce AlphaEarth Foundations, an embedding field model yielding a highly general, geospatial representation that assimilates spatial, temporal, and measurement contexts across multiple sources, enabling accurate and efficient production of maps and monitoring systems from local to global scales. The embeddings generated by AlphaEarth Foundations are the only to consistently outperform all previous featurization approaches tested on a diverse set of mapping evaluations without re-training. We will release a dataset of global, annual, analysis-ready embedding field layers from 2017 through 2024.
Authors: Behnam Mafakheri, Jonathan H. Manton, Iman Shames
Abstract: In this paper, we consider nonconvex decentralised optimisation and learning over a network of distributed agents. We develop an ADMM algorithm based on the Randomised Block Coordinate Douglas-Rachford splitting method which enables agents in the network to distributedly and asynchronously compute a set of first-order stationary solutions of the problem. To the best of our knowledge, this is the first decentralised and asynchronous algorithm for solving nonconvex optimisation problems with convergence proof. The numerical examples demonstrate the efficiency of the proposed algorithm for distributed Phase Retrieval and sparse Principal Component Analysis problems.
Authors: Woojae Jeong, Aditya Kommineni, Kleanthis Avramidis, Colin McDaniel, Donald Berry, Myzelle Hughes, Thomas McGee, Elsi Kaiser, Dani Byrd, Assal Habibi, B. Rael Cahn, Idan A. Blank, Kristina Lerman, Dimitrios Pantazis, Sudarsana R. Kadiri, Takfarinas Medani, Shrikanth Narayanan, Richard M. Leahy
Abstract: Depression and suicidality profoundly impact cognition and emotion, yet objective neurophysiological biomarkers remain elusive. We investigated the spatiotemporal neural dynamics underlying affective semantic processing in individuals with varying levels of clinical severity of depression and suicidality using multivariate decoding of electroencephalography (EEG) data. Participants (N=137) completed a sentence evaluation task involving emotionally charged self-referential statements while EEG was recorded. We identified robust, neural signatures of semantic processing, with peak decoding accuracy between 300-600 ms -- a window associated with automatic semantic evaluation and conflict monitoring. Compared to healthy controls, individuals with depression and suicidality showed earlier onset, longer duration, and greater amplitude decoding responses, along with broader cross-temporal generalization and increased activation of frontocentral and parietotemporal components. These findings suggest altered sensitivity and impaired disengagement from emotionally salient content in the clinical groups, advancing our understanding of the neurocognitive basis of mental health and providing a principled basis for developing reliable EEG-based biomarkers of depression and suicidality.
Authors: Zhuocheng Liu, Zhishu Shen, Qiushi Zheng, Tiehua Zhang, Zheng Lei, Jiong Jin
Abstract: Low Earth Orbit (LEO) satellites are emerging as key components of 6G networks, with many already deployed to support large-scale Earth observation and sensing related tasks. Federated Learning (FL) presents a promising paradigm for enabling distributed intelligence in these resource-constrained and dynamic environments. However, achieving reliable convergence, while minimizing both processing time and energy consumption, remains a substantial challenge, particularly in heterogeneous and partially unlabeled satellite networks. To address this challenge, we propose a novel semi-supervised federated learning framework tailored for LEO satellite networks with hierarchical clustering aggregation. To further reduce communication overhead, we integrate sparsification and adaptive weight quantization techniques. In addition, we divide the FL clustering into two stages: satellite cluster aggregation stage and Ground Stations (GSs) aggregation stage. The supervised learning at GSs guides selected Parameter Server (PS) satellites, which in turn support fully unlabeled satellites during the federated training process. Extensive experiments conducted on a satellite network testbed demonstrate that our proposal can significantly reduce processing time (up to 3x) and energy consumption (up to 4x) compared to other comparative methods while maintaining model accuracy.
Authors: Yifan Yu, Shengjie Xiu, Daniel P. Palomar
Abstract: State-space models are pivotal for dynamic system analysis but often struggle with outlier data that deviates from Gaussian distributions, frequently exhibiting skewness and heavy tails. This paper introduces a robust extension utilizing the asymmetric Laplace distribution, specifically tailored to capture these complex characteristics. We propose an efficient variational Bayes algorithm and a novel single-loop parameter estimation strategy, significantly enhancing the efficiency of the filtering, smoothing, and parameter estimation processes. Our comprehensive experiments demonstrate that our methods provide consistently robust performance across various noise settings without the need for manual hyperparameter adjustments. In stark contrast, existing models generally rely on specific noise conditions and necessitate extensive manual tuning. Moreover, our approach uses far fewer computational resources, thereby validating the model's effectiveness and underscoring its potential for practical applications in fields such as robust control and financial modeling.
Authors: Yifei Chen, Yuzhe Zhang, Giovanni D'urso, Nicholas Lawrance, Brendan Tidd
Abstract: Recent developments in imitation learning have considerably advanced robotic manipulation. However, current techniques in imitation learning can suffer from poor generalization, limiting performance even under relatively minor domain shifts. In this work, we aim to enhance the generalization capabilities of complex imitation learning algorithms to handle unpredictable changes from the training environments to deployment environments. To avoid confusion caused by observations that are not relevant to the target task, we propose to explicitly learn the causal relationship between observation components and expert actions, employing a framework similar to [6], where a causal structural function is learned by intervention on the imitation learning policy. Disentangling the feature representation from image input as in [6] is hard to satisfy in complex imitation learning process in robotic manipulation, we theoretically clarify that this requirement is not necessary in causal relationship learning. Therefore, we propose a simple causal structure learning framework that can be easily embedded in recent imitation learning architectures, such as the Action Chunking Transformer [31]. We demonstrate our approach using a simulation of the ALOHA [31] bimanual robot arms in Mujoco, and show that the method can considerably mitigate the generalization problem of existing complex imitation learning algorithms.
Authors: Wenqing Wang, Alexis M. H. Teter, Murat Arcak, Abhishek Halder
Abstract: Given a controlled diffusion and a connected, bounded, Lipschitz set, when is it possible to guarantee controlled set invariance with probability one? In this work, we answer this question by deriving the necessary and sufficient conditions for the same in terms of gradients of certain log-likelihoods -- a.k.a. score vector fields -- for two cases: given finite time horizon and infinite time horizon. The deduced conditions comprise a score-based test that provably certifies or falsifies the existence of Markovian controllers for given controlled set invariance problem data. Our results are constructive in the sense when the problem data passes the proposed test, we characterize all controllers guaranteeing the desired set invariance. When the problem data fails the proposed test, there does not exist a controller that can accomplish the desired set invariance with probability one. The computation in the proposed tests involve solving certain Dirichlet boundary value problems, and in the finite horizon case, can also account for additional constraint of hitting a target subset at the terminal time. We illustrate the results using several semi-analytical and numerical examples.
Authors: Homaira Huda Shomee, Suman Kalyan Maity, Sourav Medya
Abstract: Large language models (LLMs) have emerged as transformative approaches in several important fields. This paper aims for a paradigm shift for patent writing by leveraging LLMs to overcome the tedious patent-filing process. In this work, we present PATENTWRITER, the first unified benchmarking framework for evaluating LLMs in patent abstract generation. Given the first claim of a patent, we evaluate six leading LLMs -- including GPT-4 and LLaMA-3 -- under a consistent setup spanning zero-shot, few-shot, and chain-of-thought prompting strategies to generate the abstract of the patent. Our benchmark PATENTWRITER goes beyond surface-level evaluation: we systematically assess the output quality using a comprehensive suite of metrics -- standard NLP measures (e.g., BLEU, ROUGE, BERTScore), robustness under three types of input perturbations, and applicability in two downstream patent classification and retrieval tasks. We also conduct stylistic analysis to assess length, readability, and tone. Experimental results show that modern LLMs can generate high-fidelity and stylistically appropriate patent abstracts, often surpassing domain-specific baselines. Our code and dataset are open-sourced to support reproducibility and future research.
Authors: Anubhav Kataria, Surbhi Madan, Shreya Ghosh, Tom Gedeon, Abhinav Dhall
Abstract: Understanding individual, group and event level emotions along with contextual information is crucial for analyzing a multi-person social situation. To achieve this, we frame emotion comprehension as the task of predicting fine-grained individual emotion to coarse grained group and event level emotion. We introduce GEMS that leverages a multimodal swin-transformer and S3Attention based architecture, which processes an input scene, group members, and context information to generate joint predictions. Existing multi-person emotion related benchmarks mainly focus on atomic interactions primarily based on emotion perception over time and group level. To this end, we extend and propose VGAF-GEMS to provide more fine grained and holistic analysis on top of existing group level annotation of VGAF dataset. GEMS aims to predict basic discrete and continuous emotions (including valence and arousal) as well as individual, group and event level perceived emotions. Our benchmarking effort links individual, group and situational emotional responses holistically. The quantitative and qualitative comparisons with adapted state-of-the-art models demonstrate the effectiveness of GEMS framework on VGAF-GEMS benchmarking. We believe that it will pave the way of further research. The code and data is available at: https://github.com/katariaak579/GEMS
Authors: Sua Lee, Joonhun Lee, Myungjoo Kang
Abstract: Self-supervised learning methods like masked autoencoders (MAE) have shown significant promise in learning robust feature representations, particularly in image reconstruction-based pretraining task. However, their performance is often strongly dependent on the masking strategies used during training and can degrade when applied to out-of-distribution data. To address these limitations, we introduce the masked implicit neural representations (MINR) framework that synergizes implicit neural representations with masked image modeling. MINR learns a continuous function to represent images, enabling more robust and generalizable reconstructions irrespective of masking strategies. Our experiments demonstrate that MINR not only outperforms MAE in in-domain scenarios but also in out-of-distribution settings, while reducing model complexity. The versatility of MINR extends to various self-supervised learning applications, confirming its utility as a robust and efficient alternative to existing frameworks.
Authors: Erwin de Gelder, Maren Buermann, Olaf Op den Camp
Abstract: The development of safety validation methods is essential for the safe deployment and operation of Automated Driving Systems (ADSs). One of the goals of safety validation is to prospectively evaluate the risk of an ADS dealing with real-world traffic. Scenario-based assessment is a widely-used approach, where test cases are derived from real-world driving data. To allow for a quantitative analysis of the system performance, the exposure of the scenarios must be accurately estimated. The exposure of scenarios at parameter level is expressed using a Probability Density Function (PDF). However, assumptions about the PDF, such as parameter independence, can introduce errors, while avoiding assumptions often leads to oversimplified models with limited parameters to mitigate the curse of dimensionality. This paper considers the use of Normalizing Flows (NF) for estimating the PDF of the parameters. NF are a class of generative models that transform a simple base distribution into a complex one using a sequence of invertible and differentiable mappings, enabling flexible, high-dimensional density estimation without restrictive assumptions on the PDF's shape. We demonstrate the effectiveness of NF in quantifying risk and risk uncertainty of an ADS, comparing its performance with Kernel Density Estimation (KDE), a traditional method for non-parametric PDF estimation. While NF require more computational resources compared to KDE, NF is less sensitive to the curse of dimensionality. As a result, NF can improve risk uncertainty estimation, offering a more precise assessment of an ADS's safety. This work illustrates the potential of NF in scenario-based safety. Future work involves experimenting more with using NF for scenario generation and optimizing the NF architecture, transformation types, and training hyperparameters to further enhance their applicability.
Authors: Zhihong Liang, Xin Wang, Zhenhuang Hu, Liangliang Song, Lin Chen, Jingjing Guo, Yanbin Wang, Ye Tian
Abstract: With the rapid expansion of web-based applications and cloud services, malicious JavaScript code continues to pose significant threats to user privacy, system integrity, and enterprise security. But, detecting such threats remains challenging due to sophisticated code obfuscation techniques and JavaScript's inherent language characteristics, particularly its nested closure structures and syntactic flexibility. In this work, we propose DeCoda, a hybrid defense framework that combines large language model (LLM)-based deobfuscation with code graph learning: (1) We first construct a sophisticated prompt-learning pipeline with multi-stage refinement, where the LLM progressively reconstructs the original code structure from obfuscated inputs and then generates normalized Abstract Syntax Tree (AST) representations; (2) In JavaScript ASTs, dynamic typing scatters semantically similar nodes while deeply nested functions fracture scope capturing, introducing structural noise and semantic ambiguity. To address these challenges, we then propose to learn hierarchical code graph representations via a Cluster-wise Graph that synergistically integrates graph transformer network, node clustering, and node-to-cluster attention to simultaneously capture both local node-level semantics and global cluster-induced structural relationships from AST graph. Experimental results demonstrate that our method achieves F1-scores of 94.64% and 97.71% on two benchmark datasets, demonstrating absolute improvements of 10.74% and 13.85% over state-of-the-art baselines. In false-positive control evaluation at fixed FPR levels (0.0001, 0.001, 0.01), our approach delivers 4.82, 5.91, and 2.53 higher TPR respectively compared to the best-performing baseline. These results highlight the effectiveness of LLM-based deobfuscation and underscore the importance of modeling cluster-level relationships in detecting malicious code.
Authors: Viacheslav Pirogov
Abstract: The contemporary phenomenon of deepfakes, utilizing GAN or diffusion models for face swapping, presents a substantial and evolving threat in digital media, identity verification, and a multitude of other systems. The majority of existing methods for detecting deepfakes rely on training specialized classifiers to distinguish between genuine and manipulated images, focusing only on the image domain without incorporating any auxiliary tasks that could enhance robustness. In this paper, inspired by the zero-shot capabilities of Vision Language Models, we propose a novel VLM-based approach to image classification and then evaluate it for deepfake detection. Specifically, we utilize a new high-quality deepfake dataset comprising 60,000 images, on which our zero-shot models demonstrate superior performance to almost all existing methods. Subsequently, we compare the performance of the best-performing architecture, InstructBLIP, on the popular deepfake dataset DFDC-P against traditional methods in two scenarios: zero-shot and in-domain fine-tuning. Our results demonstrate the superiority of VLMs over traditional classifiers.
Authors: Xiaodong Feng, Ling Guo, Xiaoliang Wan, Hao Wu, Tao Zhou, Wenwen Zhou
Abstract: We propose a novel probabilistic framework, termed LVM-GP, for uncertainty quantification in solving forward and inverse partial differential equations (PDEs) with noisy data. The core idea is to construct a stochastic mapping from the input to a high-dimensional latent representation, enabling uncertainty-aware prediction of the solution. Specifically, the architecture consists of a confidence-aware encoder and a probabilistic decoder. The encoder implements a high-dimensional latent variable model based on a Gaussian process (LVM-GP), where the latent representation is constructed by interpolating between a learnable deterministic feature and a Gaussian process prior, with the interpolation strength adaptively controlled by a confidence function learned from data. The decoder defines a conditional Gaussian distribution over the solution field, where the mean is predicted by a neural operator applied to the latent representation, allowing the model to learn flexible function-to-function mapping. Moreover, physical laws are enforced as soft constraints in the loss function to ensure consistency with the underlying PDE structure. Compared to existing approaches such as Bayesian physics-informed neural networks (B-PINNs) and deep ensembles, the proposed framework can efficiently capture functional dependencies via merging a latent Gaussian process and neural operator, resulting in competitive predictive accuracy and robust uncertainty quantification. Numerical experiments demonstrate the effectiveness and reliability of the method.
Authors: Evgeniy I. Sosnin, Yuriy L. Vasilev, Roman A. Solovyev, Aleksandr L. Stempkovskiy, Dmitry V. Telpukhov, Artem A. Vasilev, Aleksandr A. Amerikanov, Aleksandr Y. Romanov
Abstract: In this article, we present a new unique dataset for dental research - AlphaDent. This dataset is based on the DSLR camera photographs of the teeth of 295 patients and contains over 1200 images. The dataset is labeled for solving the instance segmentation problem and is divided into 9 classes. The article provides a detailed description of the dataset and the labeling format. The article also provides the details of the experiment on neural network training for the Instance Segmentation problem using this dataset. The results obtained show high quality of predictions. The dataset is published under an open license; and the training/inference code and model weights are also available under open licenses.
Authors: Matteo Giacomini, Antonio Huerta
Abstract: A surrogate-based topology optimisation algorithm for linear elastic structures under parametric loads and boundary conditions is proposed. Instead of learning the parametric solution of the state (and adjoint) problems or the optimisation trajectory as a function of the iterations, the proposed approach devises a surrogate version of the entire optimisation pipeline. First, the method predicts a quasi-optimal topology for a given problem configuration as a surrogate model of high-fidelity topologies optimised with the homogenisation method. This is achieved by means of a feed-forward net learning the mapping between the input parameters characterising the system setup and a latent space determined by encoder/decoder blocks reducing the dimensionality of the parametric topology optimisation problem and reconstructing a high-dimensional representation of the topology. Then, the predicted topology is used as an educated initial guess for a computationally efficient algorithm penalising the intermediate values of the design variable, while enforcing the governing equations of the system. This step allows the method to correct potential errors introduced by the surrogate model, eliminate artifacts, and refine the design in order to produce topologies consistent with the underlying physics. Different architectures are proposed and the approximation and generalisation capabilities of the resulting models are numerically evaluated. The quasi-optimal topologies allow to outperform the high-fidelity optimiser by reducing the average number of optimisation iterations by $53\%$ while achieving discrepancies below $4\%$ in the optimal value of the objective functional, even in the challenging scenario of testing the model to extrapolate beyond the training and validation domain.
Authors: Kiseong Hong, Gyeong-hyeon Kim, Eunwoo Kim
Abstract: Prompt-based continual learning provides a rehearsal-free solution by tuning small sets of parameters while keeping pre-trained models frozen. To meet the complex demands of sequential tasks, it is crucial to integrate task-specific knowledge within prompts effectively. However, existing works rely on either fixed learned prompts (i.e., prompts whose representations remain unchanged during new task learning) or on prompts generated from an entangled task-shared space, limiting the representational diversity of the integrated prompt. To address this issue, we propose a novel prompt-evolving mechanism to adaptively aggregate base prompts (i.e., task-specific prompts) into a unified prompt while ensuring diversity. By transforming and aligning base prompts, both previously learned and newly introduced, our approach continuously evolves accumulated knowledge to facilitate learning new tasks. We further introduce a learnable probabilistic gate that adaptively determines which layers to activate during the evolution process. We validate our method on image classification and video action recognition tasks in class-incremental learning, achieving average gains of 9.07% and 7.40% over existing methods across all scenarios.
Authors: Xikang Yang, Biyu Zhou, Xuehai Tang, Jizhong Han, Songlin Hu
Abstract: Large Language Models (LLMs) demonstrate impressive capabilities across a wide range of tasks, yet their safety mechanisms remain susceptible to adversarial attacks that exploit cognitive biases -- systematic deviations from rational judgment. Unlike prior jailbreaking approaches focused on prompt engineering or algorithmic manipulation, this work highlights the overlooked power of multi-bias interactions in undermining LLM safeguards. We propose CognitiveAttack, a novel red-teaming framework that systematically leverages both individual and combined cognitive biases. By integrating supervised fine-tuning and reinforcement learning, CognitiveAttack generates prompts that embed optimized bias combinations, effectively bypassing safety protocols while maintaining high attack success rates. Experimental results reveal significant vulnerabilities across 30 diverse LLMs, particularly in open-source models. CognitiveAttack achieves a substantially higher attack success rate compared to the SOTA black-box method PAP (60.1% vs. 31.6%), exposing critical limitations in current defense mechanisms. These findings highlight multi-bias interactions as a powerful yet underexplored attack vector. This work introduces a novel interdisciplinary perspective by bridging cognitive science and LLM safety, paving the way for more robust and human-aligned AI systems.
Authors: Galadrielle Humblot-Renaux, Gianni Franchi, Sergio Escalera, Thomas B. Moeslund
Abstract: Out-of-distribution (OOD) detection is an important building block in trustworthy image recognition systems as unknown classes may arise at test-time. OOD detection methods typically revolve around a single classifier, leading to a split in the research field between the classical supervised setting (e.g. ResNet18 classifier trained on CIFAR100) vs. the zero-shot setting (class names fed as prompts to CLIP). In both cases, an overarching challenge is that the OOD detection performance is implicitly constrained by the classifier's capabilities on in-distribution (ID) data. In this work, we show that given a little open-mindedness from both ends, remarkable OOD detection can be achieved by instead creating a heterogeneous ensemble - COOkeD combines the predictions of a closed-world classifier trained end-to-end on a specific dataset, a zero-shot CLIP classifier, and a linear probe classifier trained on CLIP image features. While bulky at first sight, this approach is modular, post-hoc and leverages the availability of pre-trained VLMs, thus introduces little overhead compared to training a single standard classifier. We evaluate COOkeD on popular CIFAR100 and ImageNet benchmarks, but also consider more challenging, realistic settings ranging from training-time label noise, to test-time covariate shift, to zero-shot shift which has been previously overlooked. Despite its simplicity, COOkeD achieves state-of-the-art performance and greater robustness compared to both classical and CLIP-based OOD detection methods. Code is available at https://github.com/glhr/COOkeD
Authors: Qian Qi
Abstract: The canonical theory of sublinear expectations, a foundation of stochastic calculus under ambiguity, is insensitive to the non-convex geometry of primitive uncertainty models. This paper develops a new stochastic calculus for a structured class of such non-convex models. We introduce a class of fully coupled Mean-Field Forward-Backward Stochastic Differential Equations where the BSDE driver is defined by a pointwise maximization over a law-dependent, non-convex set. Mathematical tractability is achieved via a uniform strong concavity assumption on the driver with respect to the control variable, which ensures the optimization admits a unique and stable solution. A central contribution is to establish the Lipschitz stability of this optimizer from primitive geometric and regularity conditions, which underpins the entire well-posedness theory. We prove local and global well-posedness theorems for the FBSDE system. The resulting valuation functional, the $\Theta$-Expectation, is shown to be dynamically consistent and, most critically, to violate the axiom of sub-additivity. This, along with its failure to be translation invariant, demonstrates its fundamental departure from the convex paradigm. This work provides a rigorous foundation for stochastic calculus under a class of non-convex, endogenous ambiguity.
Authors: Inaya Rahmanisa, Lyzander Marciano Andrylie, Mahardika Krisna Ihsani, Alfan Farizki Wicaksono, Haryo Akbarianto Wibowo, Alham Fikri Aji
Abstract: Language-specific neurons in LLMs that strongly correlate with individual languages have been shown to influence model behavior by deactivating them. However, their role in amplification remains underexplored. This work investigates the effect of amplifying language-specific neurons through interventions across 18 languages, including low-resource ones, using three models primarily trained in different languages. We compare amplification factors by their effectiveness in steering to the target language using a proposed Language Steering Shift (LSS) evaluation score, then evaluate it on downstream tasks: commonsense reasoning (XCOPA, XWinograd), knowledge (Include), and translation (FLORES). The optimal amplification factors effectively steer output toward nearly all tested languages. Intervention using this factor on downstream tasks improves self-language performance in some cases but generally degrades cross-language results. These findings highlight the effect of language-specific neurons in multilingual behavior, where amplification can be beneficial especially for low-resource languages, but provides limited advantage for cross-lingual transfer.
Authors: Elif Vural, Huseyin Karaca
Abstract: Domain adaptation seeks to leverage the abundant label information in a source domain to improve classification performance in a target domain with limited labels. While the field has seen extensive methodological development, its theoretical foundations remain relatively underexplored. Most existing theoretical analyses focus on simplified settings where the source and target domains share the same input space and relate target-domain performance to measures of domain discrepancy. Although insightful, these analyses may not fully capture the behavior of modern approaches that align domains into a shared space via feature transformations. In this paper, we present a comprehensive theoretical study of domain adaptation algorithms based on domain alignment. We consider the joint learning of domain-aligning feature transformations and a shared classifier in a semi-supervised setting. We first derive generalization bounds in a broad setting, in terms of covering numbers of the relevant function classes. We then extend our analysis to characterize the sample complexity of domain-adaptive neural networks employing maximum mean discrepancy (MMD) or adversarial objectives. Our results rely on a rigorous analysis of the covering numbers of these architectures. We show that, for both MMD-based and adversarial models, the sample complexity admits an upper bound that scales quadratically with network depth and width. Furthermore, our analysis suggests that in semi-supervised settings, robustness to limited labeled target data can be achieved by scaling the target loss proportionally to the square root of the number of labeled target samples. Experimental evaluation in both shallow and deep settings lends support to our theoretical findings.
Authors: MohammadAmin Alamalhoda, Arsalan Firoozi, Alessandro Venturino, Sandra Siegert
Abstract: The shape of a cell contains essential information about its function within the biological system. Segmenting these structures from large-scale 3D microscopy images is challenging, limiting clinical insights especially for microglia, immune-associated cells involved in neurodegenerative diseases. Existing segmentation methods mainly focus on cell bodies, struggle with overlapping structures, perform poorly on noisy images, require hyperparameter tuning for each new dataset, or rely on tedious semi-automated approaches. We introduce trAIce3D, a deep-learning architecture designed for precise microglia segmentation, capturing both somas and branches. It employs a two-stage approach: first, a 3D U-Net with vision transformers in the encoder detects somas using a sliding-window technique to cover the entire image. Then, the same architecture, enhanced with cross-attention blocks in skip connections, refines each soma and its branches by using soma coordinates as a prompt and a 3D window around the target cell as input. Training occurs in two phases: self-supervised Soma Segmentation, followed by prompt-based Branch Segmentation, leveraging pre-trained weights from the first phase. Trained and evaluated on a dataset of 41,230 microglial cells, trAIce3D significantly improves segmentation accuracy and generalization, enabling scalable analysis of complex cellular morphologies. While optimized for microglia, its architecture can extend to other intricate cell types, such as neurons and astrocytes, broadening its impact on neurobiological research.
Authors: Alex Durkin, Jasper Stolte, Matthew Jones, Raghuraman Pitchumani, Bei Li, Christian Michler, Mehmet Mercang\"oz
Abstract: Offline reinforcement learning (offline RL) offers a promising framework for developing control strategies in chemical process systems using historical data, without the risks or costs of online experimentation. This work investigates the application of offline RL to the safe and efficient control of an exothermic polymerisation continuous stirred-tank reactor. We introduce a Gymnasium-compatible simulation environment that captures the reactor's nonlinear dynamics, including reaction kinetics, energy balances, and operational constraints. The environment supports three industrially relevant scenarios: startup, grade change down, and grade change up. It also includes reproducible offline datasets generated from proportional-integral controllers with randomised tunings, providing a benchmark for evaluating offline RL algorithms in realistic process control tasks. We assess behaviour cloning and implicit Q-learning as baseline algorithms, highlighting the challenges offline agents face, including steady-state offsets and degraded performance near setpoints. To address these issues, we propose a novel deployment-time safety layer that performs gradient-based action correction using input convex neural networks (PICNNs) as learned cost models. The PICNN enables real-time, differentiable correction of policy actions by descending a convex, state-conditioned cost surface, without requiring retraining or environment interaction. Experimental results show that offline RL, particularly when combined with convex action correction, can outperform traditional control approaches and maintain stability across all scenarios. These findings demonstrate the feasibility of integrating offline RL with interpretable and safety-aware corrections for high-stakes chemical process control, and lay the groundwork for more reliable data-driven automation in industrial systems.
Authors: Gautam Jajoo, Pranjal A Chitale, Saksham Agarwal
Abstract: Recent advancements in financial problem-solving have leveraged LLMs and agent-based systems, with a primary focus on trading and financial modeling. However, credit assessment remains an underexplored challenge, traditionally dependent on rule-based methods and statistical models. In this paper, we introduce MASCA, an LLM-driven multi-agent system designed to enhance credit evaluation by mirroring real-world decision-making processes. The framework employs a layered architecture where specialized LLM-based agents collaboratively tackle sub-tasks. Additionally, we integrate contrastive learning for risk and reward assessment to optimize decision-making. We further present a signaling game theory perspective on hierarchical multi-agent systems, offering theoretical insights into their structure and interactions. Our paper also includes a detailed bias analysis in credit assessment, addressing fairness concerns. Experimental results demonstrate that MASCA outperforms baseline approaches, highlighting the effectiveness of hierarchical LLM-based multi-agent systems in financial applications, particularly in credit scoring.
Authors: Samuel Teuber, Debasmita Lohar, Bernhard Beckert
Abstract: As neural networks (NNs) become increasingly prevalent in safety-critical neural network-controlled cyber-physical systems (NNCSs), formally guaranteeing their safety becomes crucial. For these systems, safety must be ensured throughout their entire operation, necessitating infinite-time horizon verification. To verify the infinite-time horizon safety of NNCSs, recent approaches leverage Differential Dynamic Logic (dL). However, these dL-based guarantees rely on idealized, real-valued NN semantics and fail to account for roundoff errors introduced by finite-precision implementations. This paper bridges the gap between theoretical guarantees and real-world implementations by incorporating robustness under finite-precision perturbations -- in sensing, actuation, and computation -- into the safety verification. We model the problem as a hybrid game between a good Demon, responsible for control actions, and a bad Angel, introducing perturbations. This formulation enables formal proofs of robustness w.r.t. a given (bounded) perturbation. Leveraging this bound, we employ state-of-the-art mixed-precision fixed-point tuners to synthesize sound and efficient implementations, thus providing a complete end-to-end solution. We evaluate our approach on case studies from the automotive and aeronautics domains, producing efficient NN implementations with rigorous infinite-time horizon safety guarantees.
Authors: Ahmed Sabbah, Radi Jarrar, Samer Zein, David Mohaisen
Abstract: Despite outstanding results, machine learning-based Android malware detection models struggle with concept drift, where rapidly evolving malware characteristics degrade model effectiveness. This study examines the impact of concept drift on Android malware detection, evaluating two datasets and nine machine learning and deep learning algorithms, as well as Large Language Models (LLMs). Various feature types--static, dynamic, hybrid, semantic, and image-based--were considered. The results showed that concept drift is widespread and significantly affects model performance. Factors influencing the drift include feature types, data environments, and detection methods. Balancing algorithms helped with class imbalance but did not fully address concept drift, which primarily stems from the dynamic nature of the malware landscape. No strong link was found between the type of algorithm used and concept drift, the impact was relatively minor compared to other variables since hyperparameters were not fine-tuned, and the default algorithm configurations were used. While LLMs using few-shot learning demonstrated promising detection performance, they did not fully mitigate concept drift, highlighting the need for further investigation.
Authors: Hugo Garrido-Lestache, Jeremy Kedziora
Abstract: This paper introduces Team-Attention-Actor-Critic (TAAC), a reinforcement learning algorithm designed to enhance multi-agent collaboration in cooperative environments. TAAC employs a Centralized Training/Centralized Execution scheme incorporating multi-headed attention mechanisms in both the actor and critic. This design facilitates dynamic, inter-agent communication, allowing agents to explicitly query teammates, thereby efficiently managing the exponential growth of joint-action spaces while ensuring a high degree of collaboration. We further introduce a penalized loss function which promotes diverse yet complementary roles among agents. We evaluate TAAC in a simulated soccer environment against benchmark algorithms representing other multi-agent paradigms, including Proximal Policy Optimization and Multi-Agent Actor-Attention-Critic. We find that TAAC exhibits superior performance and enhanced collaborative behaviors across a variety of metrics (win rates, goal differentials, Elo ratings, inter-agent connectivity, balanced spatial distributions, and frequent tactical interactions such as ball possession swaps).
Authors: F. Gallavotti, A. Zaccone
Abstract: We present a vectorial extension of the Hopfield associative memory model inspired by the theory of amorphous solids, where binary neural states are replaced by unit vectors $\mathbf{s}_i \in \mathbb{R}^3$ on the sphere $S^2$. The generalized Hebbian learning rule creates a block-structured weight matrix through outer products of stored pattern vectors, analogous to the Hessian matrix structure in amorphous solids. We demonstrate that this model exhibits quantifiable structural properties characteristic of disordered materials: energy landscapes with deep minima for stored patterns versus random configurations (energy gaps $\sim 7$ units), strongly anisotropic correlations encoded in the weight matrix (anisotropy ratios $\sim 10^2$), and order-disorder transitions controlled by the pattern density $\gamma = P/(N \cdot d)$. The enhanced memory capacity ($\gamma_c \approx 0.55$ for a fully-connected network) compared to binary networks ($\gamma_c \approx 0.138$) and the emergence of orientational correlations establish connections between associative memory mechanisms and amorphous solid physics, particularly in systems with continuous orientational degrees of freedom. We also unveil the scaling with the coordination number $Z$ of the memory capacity: $\gamma_c \sim (Z-6)$ from the isostatic point $Z_c =6$ of the 3D elastic network, which closely mirrors the scaling of the shear modulus $G \sim (Z-6)$ in 3D central-force spring networks.
Authors: Biyi Fang, Jean Utke, Truong Vo, Diego Klabjan
Abstract: Convolutional Neural Networks (CNNs) have achieved remarkable success across a wide range of machine learning tasks by leveraging hierarchical feature learning through deep architectures. However, the large number of layers and millions of parameters often make CNNs computationally expensive to train, requiring extensive time and manual tuning to discover optimal architectures. In this paper, we introduce a novel framework for boosting CNN performance that integrates dynamic feature selection with the principles of BoostCNN. Our approach incorporates two key strategies: subgrid selection and importance sampling, to guide training toward informative regions of the feature space. We further develop a family of algorithms that embed boosting weights directly into the network training process using a least squares loss formulation. This integration not only alleviates the burden of manual architecture design but also enhances accuracy and efficiency. Experimental results across several fine-grained classification benchmarks demonstrate that our boosted CNN variants consistently outperform conventional CNNs in both predictive performance and training speed.
Authors: Hongye Wang, Zhaoye Pan, Chang He, Jiaxiang Li, Bo Jiang
Abstract: Federated learning (FL) has emerged as a powerful paradigm for collaborative model training across distributed clients while preserving data privacy. However, existing FL algorithms predominantly focus on unconstrained optimization problems with exact gradient information, limiting its applicability in scenarios where only noisy function evaluations are accessible or where model parameters are constrained. To address these challenges, we propose a novel zeroth-order projection-based algorithm on Riemannian manifolds for FL. By leveraging the projection operator, we introduce a computationally efficient zeroth-order Riemannian gradient estimator. Unlike existing estimators, ours requires only a simple Euclidean random perturbation, eliminating the need to sample random vectors in the tangent space, thus reducing computational cost. Theoretically, we first prove the approximation properties of the estimator and then establish the sublinear convergence of the proposed algorithm, matching the rate of its first-order counterpart. Numerically, we first assess the efficiency of our estimator using kernel principal component analysis. Furthermore, we apply the proposed algorithm to two real-world scenarios: zeroth-order attacks on deep neural networks and low-rank neural network training to validate the theoretical findings.
Authors: Yury Polyanskiy, Philippe Rigollet, Andrew Yao
Abstract: This paper considers a mean-field model of $n$ interacting particles whose state space is the unit circle, a generalization of the classical Kuramoto model. Global synchronization is said to occur if after starting from almost any initial state, all particles coalesce to a common point on the circle. We propose a general synchronization criterion in terms of $L_1$-norm of the third derivative of the particle interaction function. As an application we resolve a conjecture for the so-called self-attention dynamics (stylized model of transformers), by showing synchronization for all $\beta \ge -0.16$, which significantly extends the previous bound of $0\le \beta \le 1$ from Criscitiello, Rebjock, McRae, and Boumal (2024). We also show that global synchronization does not occur when $\beta < -2/3$.
Authors: Ammar Alsheghri, Ying Zhang, Farnoosh Ghadiri, Julia Keren, Farida Cheriet, Francois Guibault
Abstract: Dental crowns are essential dental treatments for restoring damaged or missing teeth of patients. Recent design approaches of dental crowns are carried out using commercial dental design software. Once a scan of a preparation is uploaded to the software, a dental technician needs to manually define a precise margin line on the preparation surface, which constitutes a non-repeatable and inconsistent procedure. This work proposes a new framework to determine margin lines automatically and accurately using deep learning. A dataset of incisor teeth was provided by a collaborating dental laboratory to train a deep learning segmentation model. A mesh-based neural network was modified by changing its input channels and used to segment the prepared tooth into two regions such that the margin line is contained within the boundary faces separating the two regions. Next, k-fold cross-validation was used to train 5 models, and a voting classifier technique was used to combine their results to enhance the segmentation. After that, boundary smoothing and optimization using the graph cut method were applied to refine the segmentation results. Then, boundary faces separating the two regions were selected to represent the margin line faces. A spline was approximated to best fit the centers of the boundary faces to predict the margin line. Our results show that an ensemble model combined with maximum probability predicted the highest number of successful test cases (7 out of 13) based on a maximum distance threshold of 200 m (representing human error) between the predicted and ground truth point clouds. It was also demonstrated that the better the quality of the preparation, the smaller the divergence between the predicted and ground truth margin lines (Spearman's rank correlation coefficient of -0.683). We provide the train and test datasets for the community.
Authors: Simon Pochinda, Momen K. Tageldeen, Mark Thompson, Tony Rinaldi, Troy Giorshev, Keith Lee, Jie Zhou, Frederick Walls
Abstract: The increasing complexity of content rendering in modern games has led to a problematic growth in the workload of the GPU. In this paper, we propose an AI-based low-complexity scaler (LCS) inspired by state-of-the-art efficient super-resolution (ESR) models which could offload the workload on the GPU to a low-power device such as a neural processing unit (NPU). The LCS is trained on GameIR image pairs natively rendered at low and high resolution. We utilize adversarial training to encourage reconstruction of perceptually important details, and apply reparameterization and quantization techniques to reduce model complexity and size. In our comparative analysis we evaluate the LCS alongside the publicly available AMD hardware-based Edge Adaptive Scaling Function (EASF) and AMD FidelityFX Super Resolution 1 (FSR1) on five different metrics, and find that the LCS achieves better perceptual quality, demonstrating the potential of ESR models for upscaling on resource-constrained devices.
Authors: Daniel Claborne, Javier Flores, Samantha Erwin, Luke Durell, Rachel Richardson, Ruby Fore, Lisa Bramer
Abstract: Machine and deep learning have grown in popularity and use in biological research over the last decade but still present challenges in interpretability of the fitted model. The development and use of metrics to determine features driving predictions and increase model interpretability continues to be an open area of research. We investigate the use of Shapley Additive Explanations (SHAP) on a multi-view deep learning model applied to multi-omics data for the purposes of identifying biomolecules of interest. Rankings of features via these attribution methods are compared across various architectures to evaluate consistency of the method. We perform multiple computational experiments to assess the robustness of SHAP and investigate modeling approaches and diagnostics to increase and measure the reliability of the identification of important features. Accuracy of a random-forest model fit on subsets of features selected as being most influential as well as clustering quality using only these features are used as a measure of effectiveness of the attribution method. Our findings indicate that the rankings of features resulting from SHAP are sensitive to the choice of architecture as well as different random initializations of weights, suggesting caution when using attribution methods on multi-view deep learning models applied to multi-omics data. We present an alternative, simple method to assess the robustness of identification of important biomolecules.
Authors: Menglin Yang, Min Zhou, Tong Zhang, Jiahong Liu, Zhihao Li, Lujia Pan, Hui Xiong, Irwin King
Abstract: Graph representation learning in Euclidean space, despite its widespread adoption and proven utility in many domains, often struggles to effectively capture the inherent hierarchical and complex relational structures prevalent in real-world data, particularly for datasets exhibiting a highly non-Euclidean latent anatomy or power-law distributions. Hyperbolic geometry, with its constant negative curvature and exponential growth property, naturally accommodates such structures, offering a promising alternative for learning rich graph representations. This survey paper provides a comprehensive review of the rapidly evolving field of Hyperbolic Graph Learning (HGL). We systematically categorize and analyze existing methods broadly dividing them into (1) hyperbolic graph embedding-based techniques, (2) graph neural network-based hyperbolic models, and (3) emerging paradigms. Beyond methodologies, we extensively discuss diverse applications of HGL across multiple domains, including recommender systems, knowledge graphs, bioinformatics, and other relevant scenarios, demonstrating the broad applicability and effectiveness of hyperbolic geometry in real-world graph learning tasks. Most importantly, we identify several key challenges that serve as directions for advancing HGL, including handling complex data structures, developing geometry-aware learning objectives, ensuring trustworthy and scalable implementations, and integrating with foundation models, e.g., large language models. We highlight promising research opportunities in this exciting interdisciplinary area. A comprehensive repository can be found at https://github.com/digailab/awesome-hyperbolic-graph-learning.
URLs: https://github.com/digailab/awesome-hyperbolic-graph-learning.
Authors: Joseph G. Makin
Abstract: This work in progress aims to provide a unified introduction to statistical learning, building up slowly from classical models like the GMM and HMM to modern neural networks like the VAE and diffusion models. There are today many internet resources that explain this or that new machine-learning algorithm in isolation, but they do not (and cannot, in so brief a space) connect these algorithms with each other or with the classical literature on statistical models, out of which the modern algorithms emerged. Also conspicuously lacking is a single notational system which, although unfazing to those already familiar with the material (like the authors of these posts), raises a significant barrier to the novice's entry. Likewise, I have aimed to assimilate the various models, wherever possible, to a single framework for inference and learning, showing how (and why) to change one model into another with minimal alteration (some of them novel, others from the literature). Some background is of course necessary. I have assumed the reader is familiar with basic multivariable calculus, probability and statistics, and linear algebra. The goal of this book is certainly not completeness, but rather to draw a more or less straight-line path from the basics to the extremely powerful new models of the last decade. The goal then is to complement, not replace, such comprehensive texts as Bishop's \emph{Pattern Recognition and Machine Learning}, which is now 15 years old.
Authors: Xiaojin Zhang, Wei Chen
Abstract: The widespread adoption of machine learning necessitates robust privacy protection alongside algorithmic resilience. While Local Differential Privacy (LDP) provides foundational guarantees, sophisticated adversaries with prior knowledge demand more nuanced Bayesian privacy notions, such as Maximum Bayesian Privacy (MBP) and Average Bayesian Privacy (ABP), first introduced by \cite{zhang2022no}. Concurrently, machine learning systems require inherent robustness against data perturbations and adversarial manipulations. This paper systematically investigates the intricate theoretical relationships among LDP, MBP, and ABP. Crucially, we bridge these privacy concepts with algorithmic robustness, particularly within the Probably Approximately Correct (PAC) learning framework. Our work demonstrates that privacy-preserving mechanisms inherently confer PAC robustness. We present key theoretical results, including the formalization of the established LDP-MBP relationship, novel bounds between MBP and ABP, and a proof demonstrating PAC robustness from MBP. Furthermore, we establish a novel theoretical relationship quantifying how privacy leakage directly influences an algorithm's input robustness. These results provide a unified theoretical framework for understanding and optimizing the privacy-robustness trade-off, paving the way for the development of more secure, trustworthy, and resilient machine learning systems.
Authors: Bokun Wang, Axel Berg, Durmus Alp Emre Acar, Chuteng Zhou
Abstract: Recent work has shown that 8-bit floating point (FP8) can be used for efficiently training neural networks with reduced computational cost compared to training in FP32/FP16. In this work, we investigate the use of FP8 training in a federated learning context. This approach brings not only the usual benefits of FP8 which are desirable for on-device training at the edge, but also reduces client-server communication costs due to significant weight compression. We present a novel method for combining FP8 client training while maintaining a global FP32 server model and provide convergence analysis. Experiments with various machine learning models and datasets show that our method consistently yields communication reductions of at least 2.9x across a variety of tasks and models compared to an FP32 baseline to achieve the same trained model accuracy.
Authors: Eric Yang, Jonathan Amar, Jong Ha Lee, Bhawesh Kumar, Yugang Jia
Abstract: Deploying Large Language Models (LLMs) for healthcare question answering requires robust methods to ensure accuracy and reliability. This work introduces Query-Based Retrieval Augmented Generation (QB-RAG), a framework for enhancing Retrieval-Augmented Generation (RAG) systems in healthcare question-answering by pre-aligning user queries with a database of curated, answerable questions derived from healthcare content. A key component of QB-RAG is an LLM-based filtering mechanism that ensures that only relevant and answerable questions are included in the database, enabling reliable reference query generation at scale. We provide theoretical motivation for QB-RAG, conduct a comparative analysis of existing retrieval enhancement techniques, and introduce a generalizable, comprehensive evaluation framework that assesses both the retrieval effectiveness and the quality of the generated response based on faithfulness, relevance, and adherence to the guideline. Our empirical evaluation on a healthcare data set demonstrates the superior performance of QB-RAG compared to existing retrieval methods, highlighting its practical value in building trustworthy digital health applications for health question-answering.
Authors: Minyeong Choe, Cheolhee Park, Changho Seo, Hyunil Kim
Abstract: Federated learning is a promising approach for training machine learning models while preserving data privacy. However, its distributed nature makes it vulnerable to backdoor attacks, particularly in NLP tasks, where related research remains limited. This paper introduces SDBA, a novel backdoor attack mechanism designed for NLP tasks in federated learning environments. Through a systematic analysis across LSTM and GPT-2 models, we identify the most vulnerable layers for backdoor injection and achieve both stealth and long-lasting durability by applying layer-wise gradient masking and top-k% gradient masking. Also, to evaluate the task generalizability of SDBA, we additionally conduct experiments on the T5 model. Experiments on next-token prediction, sentiment analysis, and question answering tasks show that SDBA outperforms existing backdoors in terms of durability and effectively bypasses representative defense mechanisms, demonstrating notable performance in transformer-based models such as GPT-2. These results highlight the urgent need for robust defense strategies in NLP-based federated learning systems.
Authors: Suryanarayana Maddu, Victor Chard\`es, Michael. J. Shelley
Abstract: Inferring dynamical models from data continues to be a significant challenge in computational biology, especially given the stochastic nature of many biological processes. We explore a common scenario in omics, where statistically independent cross-sectional samples are available at a few time points, and the goal is to infer the underlying diffusion process that generated the data. Existing inference approaches often simplify or ignore noise intrinsic to the system, compromising accuracy for the sake of optimization ease. We circumvent this compromise by inferring the phase-space probability flow that shares the same time-dependent marginal distributions as the underlying stochastic process. Our approach, probability flow inference (PFI), disentangles force from intrinsic stochasticity while retaining the algorithmic ease of ODE inference. Analytically, we prove that for Ornstein-Uhlenbeck processes the regularized PFI formalism yields a unique solution in the limit of well-sampled distributions. In practical applications, we show that PFI enables accurate parameter and force estimation in high-dimensional stochastic reaction networks, and that it allows inference of cell differentiation dynamics with molecular noise, outperforming state-of-the-art approaches.
Authors: Yongxin Zhu, Bocheng Li, Yifei Xin, Zhihua Xia, Linli Xu
Abstract: Vector Quantization (VQ) is essential for discretizing continuous representations in unsupervised learning but suffers from representation collapse, causing low codebook utilization and limiting scalability. Existing solutions often rely on complex optimizations or reduce latent dimensionality, which compromises model capacity and fails to fully solve the problem. We identify the root cause as disjoint codebook optimization, where only a few code vectors are updated via gradient descent. To fix this, we propose \textbf{Sim}ple\textbf{VQ}, which reparameterizes code vectors through a learnable linear transformation layer over a latent basis, optimizing the \textit{entire linear space} rather than nearest \textit{individual code vectors}. Although the multiplication of two linear matrices is equivalent to applying a single linear layer, this simple approach effectively prevents collapse. Extensive experiments on image and audio tasks demonstrate that SimVQ improves codebook usage, is easy to implement, and generalizes well across modalities and architectures.
Authors: Ziqing Wen, Ping Luo, Jiahuan Wang, Xiaoge Deng, Jinping Zou, Kun Yuan, Tao Sun, Dongsheng Li
Abstract: Large language models (LLMs) have shown impressive performance across a range of natural language processing tasks. However, their vast number of parameters introduces significant memory challenges during training, particularly when using memory-intensive optimizers like Adam. Existing memory-efficient algorithms often rely on techniques such as singular value decomposition projection or weight freezing. While these approaches help alleviate memory constraints, they generally produce suboptimal results compared to full-rank updates. In this paper, we investigate the memory-efficient method beyond low-rank training, proposing a novel solution called Gradient Wavelet Transform (GWT), which applies wavelet transforms to gradients in order to significantly reduce the memory requirements for maintaining optimizer states. We demonstrate that GWT can be seamlessly integrated with memory-intensive optimizers, enabling efficient training without sacrificing performance. Through extensive experiments on both pre-training and fine-tuning tasks, we show that GWT achieves state-of-the-art performance compared with advanced memory-efficient optimizers and full-rank approaches in terms of both memory usage and training performance.
Authors: Taiki Yamada, Yuichi Katori, Kantaro Fujiwara
Abstract: Echo state networks (ESNs) are a class of recurrent neural networks in which only the readout layer is trainable, while the recurrent and input layers are fixed. This architectural constraint enables computationally efficient processing of time-series data. Traditionally, the readout layer in ESNs is trained using supervised learning with target outputs. In this study, we focus on input reconstruction (IR), where the readout layer is trained to reconstruct the input time series fed into the ESN. We show that IR can be achieved through unsupervised learning (UL), without access to supervised targets, provided that the ESN parameters are known a priori and satisfy invertibility conditions. This formulation allows applications relying on IR, such as dynamical system replication and noise filtering, to be reformulated within the UL framework via straightforward integration with existing algorithms. Our results suggest that prior knowledge of ESN parameters can reduce reliance on supervision, thereby establishing a new principle: not only by fixing part of the network parameters but also by exploiting their specific values. Furthermore, our UL-based algorithms for input reconstruction and related tasks are suitable for autonomous processing, offering insights into how analogous computational mechanisms might operate in the brain in principle. These findings contribute to a deeper understanding of the mathematical foundations of ESNs and their relevance to models in computational neuroscience.
Authors: Maty\'a\v{s} Lorenc, Roman Neruda
Abstract: We explore the capability of evolution strategies to train an agent with a policy based on a transformer architecture in a reinforcement learning setting. We performed experiments using OpenAI's highly parallelizable evolution strategy to train Decision Transformer in the MuJoCo Humanoid locomotion environment and in the environment of Atari games, testing the ability of this black-box optimization technique to train even such relatively large and complicated models (compared to those previously tested in the literature). The examined evolution strategy proved to be, in general, capable of achieving strong results and managed to produce high-performing agents, showcasing evolution's ability to tackle the training of even such complex models.
Authors: Yisong Chen, Chuqing Zhao, Yixin Xu, Chuanhao Nie, Yixin Zhang
Abstract: This paper systematically reviews advancements in deep learning (DL) techniques for financial fraud detection, a critical issue in the financial sector. Using the Kitchenham systematic literature review approach, 57 studies published between 2019 and 2024 were analyzed. The review highlights the effectiveness of various deep learning models such as Convolutional Neural Networks, Long Short-Term Memory, and transformers across domains such as credit card transactions, insurance claims, and financial statement audits. Performance metrics such as precision, recall, F1-score, and AUC-ROC were evaluated. Key themes explored include the impact of data privacy frameworks and advancements in feature engineering and data preprocessing. The study emphasizes challenges such as imbalanced datasets, model interpretability, and ethical considerations, alongside opportunities for automation and privacy-preserving techniques such as blockchain integration and Principal Component Analysis. By examining trends over the past five years, this review identifies critical gaps and promising directions for advancing DL applications in financial fraud detection, offering actionable insights for researchers and practitioners.
Authors: Thomas L. Lee, William Toner, Rajkarn Singh, Artjom Joosen, Martin Asenov
Abstract: Foundation models (FMs) have emerged as a promising approach for time series forecasting. While effective, FMs typically remain fixed during deployment due to the high computational costs of learning them online. Consequently, deployed FMs fail to adapt their forecasts to current data characteristics, despite the availability of online feedback from newly arriving data. This raises the question of whether FM performance can be enhanced by the efficient usage of this feedback. We propose ELF to answer this question. ELF is a lightweight mechanism for the online adaption of FM forecasts in response to online feedback. ELF consists of two parts: a) the ELF-Forecaster which is used to learn the current data distribution; and b) the ELF-Weighter which is used to combine the forecasts of the FM and the ELF-Forecaster. We evaluate the performance of ELF in conjunction with several recent FMs across a suite of standard time series datasets. In all of our experiments we find that using ELF improves performance. This work demonstrates how efficient usage of online feedback can be used to improve FM forecasts.
Authors: Atefeh Termehchi, Ekram Hossain, Isaac Woungang
Abstract: Deep Reinforcement Learning (DRL) is a key machine learning technology driving progress across various scientific and engineering fields, including wireless communication. However, its limited interpretability and generalizability remain major challenges. In supervised learning, generalizability is commonly evaluated through the generalization error using information-theoretic methods. In DRL, the training data is sequential and not independent and identically distributed (i.i.d.), rendering traditional information-theoretic methods unsuitable for generalizability analysis. To address this challenge, this paper proposes a novel analytical method for evaluating the generalizability of DRL. Specifically, we first model the evolution of states and actions in trained DRL algorithms as unknown discrete, stochastic, and nonlinear dynamical functions. Then, we employ a data-driven identification method, the Koopman operator, to approximate these functions, and propose two interpretable representations. Based on these interpretable representations, we develop a rigorous mathematical approach to evaluate the generalizability of DRL algorithms. This approach is formulated using the spectral feature analysis of the Koopman operator, leveraging the H_\infty norm. Finally, we apply this generalization analysis to compare the soft actor-critic method, widely recognized as a robust DRL approach, against the proximal policy optimization algorithm for an unmanned aerial vehicle-assisted mmWave wireless communication scenario.
Authors: Thuy Nguyen, Dang Nguyen, Hoang Nguyen, Thuan Luong, Long Hoang Dang, Viet Dac Lai
Abstract: We present a challenging benchmark for the Open WorLd VISual question answering (OWLViz) task. OWLViz presents concise, unambiguous queries that require integrating multiple capabilities, including visual understanding, web exploration, and specialized tool usage. While humans achieve 69.2% accuracy on these intuitive tasks, even state-of-the-art VLMs struggle, with the best model, Gemini 2.0, achieving only 26.6% accuracy. Current agentic VLMs, which rely on limited vision and vision-language models as tools, perform even worse. This performance gap reveals significant limitations in multimodal systems' ability to select appropriate tools and execute complex reasoning sequences, establishing new directions for advancing practical AI research.
Authors: Alice Zhang, Chao Li
Abstract: State-space modeling has emerged as a powerful paradigm for sequence analysis in various tasks such as natural language processing, time-series forecasting, and signal processing. In this work, we propose an \emph{Adaptive State-Space Mamba} (\textbf{ASSM}) framework for real-time sensor data anomaly detection. While state-space models have been previously employed for image processing applications (e.g., style transfer \cite{wang2024stylemamba}), our approach leverages the core idea of sequential hidden states to tackle a significantly different domain: detecting anomalies on streaming sensor data. In particular, we introduce an adaptive gating mechanism that dynamically modulates the hidden state update based on contextual and learned statistical cues. This design ensures that our model remains computationally efficient and scalable, even under rapid data arrival rates. Extensive experiments on real-world and synthetic sensor datasets demonstrate that our method achieves superior detection performance compared to existing baselines. Our approach is easily extensible to other time-series tasks that demand rapid and reliable detection capabilities.
Authors: Emily Wang, Michael Chen, Chao Li
Abstract: In this paper, we propose a novel \emph{uncertainty-aware graph self-training} approach for semi-supervised node classification. Our method introduces an Expectation-Maximization (EM) regularization scheme to incorporate an uncertainty mechanism during pseudo-label generation and model retraining. Unlike conventional graph self-training pipelines that rely on fixed pseudo-labels, our approach iteratively refines label confidences with an EM-inspired uncertainty measure. This ensures that the predictive model focuses on reliable graph regions while gradually incorporating ambiguous nodes. Inspired by prior work on uncertainty-aware self-training techniques~\cite{wang2024uncertainty}, our framework is designed to handle noisy graph structures and feature spaces more effectively. Through extensive experiments on several benchmark graph datasets, we demonstrate that our method outperforms strong baselines by a margin of up to 2.5\% in accuracy while maintaining lower variance in performance across multiple runs.
Authors: Tom Liu, Anna Wu, Chao Li
Abstract: Self-training has become a popular semi-supervised learning technique for leveraging unlabeled data. However, the over-confidence of pseudo-labels remains a key challenge. In this paper, we propose a novel \emph{graph-based uncertainty-aware self-training} (GUST) framework to combat over-confidence in node classification. Drawing inspiration from the uncertainty integration idea introduced by Wang \emph{et al.}~\cite{wang2024uncertainty}, our method largely diverges from previous self-training approaches by focusing on \emph{stochastic node labeling} grounded in the graph topology. Specifically, we deploy a Bayesian-inspired module to estimate node-level uncertainty, incorporate these estimates into the pseudo-label generation process via an expectation-maximization (EM)-like step, and iteratively update both node embeddings and adjacency-based transformations. Experimental results on several benchmark graph datasets demonstrate that our GUST framework achieves state-of-the-art performance, especially in settings where labeled data is extremely sparse.
Authors: Vishnu Vardhan Baligodugula, Fathi Amsaad
Abstract: This paper presents a comprehensive comparative analysis of prominent clustering algorithms K-means, DBSCAN, and Spectral Clustering on high-dimensional datasets. We introduce a novel evaluation framework that assesses clustering performance across multiple dimensionality reduction techniques (PCA, t-SNE, and UMAP) using diverse quantitative metrics. Experiments conducted on MNIST, Fashion-MNIST, and UCI HAR datasets reveal that preprocessing with UMAP consistently improves clustering quality across all algorithms, with Spectral Clustering demonstrating superior performance on complex manifold structures. Our findings show that algorithm selection should be guided by data characteristics, with Kmeans excelling in computational efficiency, DBSCAN in handling irregular clusters, and Spectral Clustering in capturing complex relationships. This research contributes a systematic approach for evaluating and selecting clustering techniques for high dimensional data applications.
Authors: Jake Grigsby, Yuqi Xie, Justin Sasek, Steven Zheng, Yuke Zhu
Abstract: Competitive Pok\'emon Singles (CPS) is a popular strategy game where players learn to exploit their opponent based on imperfect information in battles that can last more than one hundred stochastic turns. AI research in CPS has been led by heuristic tree search and online self-play, but the game may also create a platform to study adaptive policies trained offline on large datasets. We develop a pipeline to reconstruct the first-person perspective of an agent from logs saved from the third-person perspective of a spectator, thereby unlocking a dataset of real human battles spanning more than a decade that grows larger every day. This dataset enables a black-box approach where we train large sequence models to adapt to their opponent based solely on their input trajectory while selecting moves without explicit search of any kind. We study a progression from imitation learning to offline RL and offline fine-tuning on self-play data in the hardcore competitive setting of Pok\'emon's four oldest (and most partially observed) game generations. The resulting agents outperform a recent LLM Agent approach and a strong heuristic search engine. While playing anonymously in online battles against humans, our best agents climb to rankings inside the top 10% of active players. All agent checkpoints, training details, datasets, and baselines are available at https://metamon.tech.
URLs: https://metamon.tech.
Authors: Deyu Cao, Samin Aref
Abstract: The growing use of large language models has raised environmental and economic concerns about their intensity of resource usage during inference. Serving these models to each user requires substantial energy and water for cooling. Model compression techniques like quantization can shrink large language models and make them more resource efficient at the cost of potential performance degradation. Quantization methods compress model size through replacing their high-precision parameters by quantized values of lower precision. Among existing methods, the ApiQ method achieves superior accuracy preservation at minimal memory and time overhead. We investigate two ideas to extend performance in ultra-low-bit quantization beyond ApiQ's level. First, we look into combining existing quantization-aware training techniques with ApiQ's partial training. We show that this does not outperform the baseline ApiQ method with limited training data and frozen weights. This leads to two key insights: (1) The substantial representational capacity that is gained through full retraining is unlikely to be feasible through partial training. (2) This gain may depend on using a large and diverse dataset in quantization-aware training. Second, through a novel approach informed by the two insights, we propose an ultra-low-bit quantization method that builds upon ApiQ and extends its performance without the need for full retraining. This publicly available method relies on a saliency-aware regularization term that prioritizes preserving the most impactful parameters during quantization. Our experiments on LLaMA 7B and 13B benchmarks demonstrate that our method reduces the ApiQ's accuracy degradation by 10.85% and 7.54% respectively. A Python implementation of the proposed quantization method is publicly available on GitHub https://github.com/TokuyuSou/ULB-SAPR.
Authors: Adwait Datar, Nihat Ay
Abstract: The Kullback-Leibler (KL) divergence plays a central role in probabilistic machine learning, where it commonly serves as the canonical loss function. Optimization in such settings is often performed over the probability simplex, where the choice of parameterization significantly impacts convergence. In this work, we study the problem of minimizing the KL divergence and analyze the behavior of gradient-based optimization algorithms under two dual coordinate systems within the framework of information geometry$-$ the exponential family ($\theta$ coordinates) and the mixture family ($\eta$ coordinates). We compare Euclidean gradient descent (GD) in these coordinates with the coordinate-invariant natural gradient descent (NGD), where the natural gradient is a Riemannian gradient that incorporates the intrinsic geometry of the underlying statistical model. In continuous time, we prove that the convergence rates of GD in the $\theta$ and $\eta$ coordinates provide lower and upper bounds, respectively, on the convergence rate of NGD. Moreover, under affine reparameterizations of the dual coordinates, the convergence rates of GD in $\eta$ and $\theta$ coordinates can be scaled to $2c$ and $\frac{2}{c}$, respectively, for any $c>0$, while NGD maintains a fixed convergence rate of $2$, remaining invariant to such transformations and sandwiched between them. Although this suggests that NGD may not exhibit uniformly superior convergence in continuous time, we demonstrate that its advantages become pronounced in discrete time, where it achieves faster convergence and greater robustness to noise, outperforming GD. Our analysis hinges on bounding the spectrum and condition number of the Hessian of the KL divergence at the optimum, which coincides with the Fisher information matrix.
Authors: Eran Rosenbluth, Martin Grohe
Abstract: We precisely characterize the expressivity of computable Recurrent Graph Neural Networks (recurrent GNNs). We prove that recurrent GNNs with finite-precision parameters, sum aggregation, and ReLU activation, can compute any graph algorithm that respects the natural message-passing invariance induced by the Color Refinement (or Weisfeiler-Leman) algorithm. While it is well known that the expressive power of GNNs is limited by this invariance [Morris et al., AAAI 2019; Xu et al., ICLR 2019], we establish that recurrent GNNs can actually match this limit. This is in contrast to non-recurrent GNNs, which have the power of Weisfeiler-Leman only in a very weak, "non-uniform", sense where each graph size requires a different GNN to compute with. Our construction introduces only a polynomial overhead in both time and space. Furthermore, we show that by incorporating random initialization, for connected graphs recurrent GNNs can express all graph algorithms. In particular, any polynomial-time graph algorithm can be emulated on connected graphs in polynomial time by a recurrent GNN with random initialization.
Authors: Ryo Bertolissi, Jonas H\"ubotter, Ido Hakimi, Andreas Krause
Abstract: Mixture of expert (MoE) models are a promising approach to increasing model capacity without increasing inference cost, and are core components of many state-of-the-art language models. However, current MoE models typically use only few experts due to prohibitive training and inference cost. We propose Test-Time Model Merging (TTMM) which scales the MoE paradigm to an order of magnitude more experts and uses model merging to avoid almost any test-time overhead. We show that TTMM is an approximation of test-time training (TTT), which fine-tunes an expert model for each prediction task, i.e., prompt. TTT has recently been shown to significantly improve language models, but is computationally expensive. We find that performance of TTMM improves with more experts and approaches the performance of TTT. Moreover, we find that with a 1B parameter base model, TTMM is more than 100x faster than TTT at test-time by amortizing the cost of TTT at train-time. Thus, TTMM offers a promising cost-effective approach to scale test-time training.
Authors: Teruki Sano, Minoru Kuribayashi, Masao Sakai, Shuji Isobe, Eisuke Koizumi
Abstract: In this paper, we propose a novel framework for ownership verification of deep neural network (DNN) models for image classification tasks. It allows verification of model identity by both the rightful owner and third party without presenting the original model. We assume a gray-box scenario where an unauthorized user owns a model that is illegally copied from the original model, provides services in a cloud environment, and the user throws images and receives the classification results as a probability distribution of output classes. The framework applies a white-box adversarial attack to align the output probability of a specific class to a designated value. Due to the knowledge of original model, it enables the owner to generate such adversarial examples. We propose a simple but effective adversarial attack method based on the iterative Fast Gradient Sign Method (FGSM) by introducing control parameters. Experimental results confirm the effectiveness of the identification of DNN models using adversarial attack.
Authors: Benjamin Turtel, Danny Franklin, Kris Skotheim, Luke Hewitt, Philipp Schoenegger
Abstract: Reinforcement Learning with Verifiable Rewards (RLVR) has been an effective approach for improving Large Language Models' reasoning in domains such as coding and mathematics. Here, we apply RLVR methods towards forecasting future real-world events - a challenging task for RL due to the very noisy (and delayed) outcomes involved. Using a novel dataset of recent questions from a prediction market, and accompanying relevant news headlines, we show that a compact (14B) reasoning model can be trained to match or surpass the predictive accuracy of frontier models like o1, while greatly improving probabilistic calibration. The model's performance is also practically meaningful: in a Polymarket trading simulation, we estimate that its bets would have yielded a return on investment of over 10% across all questions in the test set. We detail and compare approaches used in training our model, including augmenting our training-data with synthetic prediction questions, guardrails for learning stability, and median prediction sampling at inference-time.
Authors: Peiran Sun
Abstract: Adversarial attack reveals the vulnerability of deep learning models. For about a decade, countless attack and defense methods have been proposed, leading to robustified classifiers and better understanding of models. Among these methods, curvature-based approaches have attracted attention because it is assumed that high curvature may give rise to rough decision boundary. However, the most commonly used \textit{curvature} is the curvature of loss function, scores or other parameters from within the model as opposed to decision boundary curvature, since the former can be relatively easily formed using second order derivative. In this paper, we propose a new query-efficient method, dynamic curvature estimation(DCE), to estimate the decision boundary curvature in a black-box setting. Our approach is based on CGBA, a black-box adversarial attack. By performing DCE on a wide range of classifiers, we discovered, statistically, a connection between decision boundary curvature and adversarial robustness. We also propose a new attack method, curvature dynamic black-box attack(CDBA) with improved performance using the dynamically estimated curvature.
Authors: Dane Malenfant, Blake A. Richards
Abstract: Sometimes we benefit from actions that others have taken even when we are unaware that they took those actions. For example, if your neighbor chooses not to take a parking spot in front of your house when you are not there, you can benefit, even without being aware that they took this action. These "hidden gifts" represent an interesting challenge for multi-agent reinforcement learning (MARL), since assigning credit when the beneficial actions of others are hidden is non-trivial. Here, we study the impact of hidden gifts with a very simple MARL task. In this task, agents in a grid-world environment have individual doors to unlock in order to obtain individual rewards. As well, if all the agents unlock their door the group receives a larger collective reward. However, there is only one key for all of the doors, such that the collective reward can only be obtained when the agents drop the key for others after they use it. Notably, there is nothing to indicate to an agent that the other agents have dropped the key, thus the act of dropping the key for others is a "hidden gift". We show that several different state-of-the-art RL algorithms, including MARL algorithms, fail to learn how to obtain the collective reward in this simple task. Interestingly, we find that independent model-free policy gradient agents can solve the task when we provide them with information about their own action history, but MARL agents still cannot solve the task with action history. Finally, we derive a correction term for these independent agents, inspired by learning aware approaches, which reduces the variance in learning and helps them to converge to collective success more reliably. These results show that credit assignment in multi-agent settings can be particularly challenging in the presence of "hidden gifts", and demonstrate that learning awareness in independent agents can benefit these settings.
Authors: Ruiqi Zhang, Simon H. Tindemans
Abstract: Multilevel Monte Carlo (MLMC) is a flexible and effective variance reduction technique for accelerating reliability assessments of complex power system. Recently, data-driven surrogate models have been proposed as lower-level models in the MLMC framework due to their high correlation and negligible execution time once trained. However, in resource adequacy assessments, pre-labeled datasets are typically unavailable. For large-scale systems, the efficiency gains from surrogate models are often offset by the substantial time required for labeling training data. Therefore, this paper introduces a speed metric that accounts for training time in evaluating MLMC efficiency. Considering the total time budget is limited, a vote-by-committee active learning approach is proposed to reduce the required labeling calls. A case study demonstrates that, within a given computational budget, active learning in combination with MLMC can result in a substantial reduction variance.
Authors: Sahil Rajesh Dhayalkar
Abstract: We present a formal and constructive simulation framework for nondeterministic finite automata (NFAs) using standard feedforward ReLU neural networks. Unlike prior approaches that rely on recurrent architectures or post hoc extraction methods, our formulation symbolically encodes automaton states as binary vectors, transitions as sparse linear transformations, and nondeterministic branching - including {\epsilon}-closures - as compositions of shared ReLU layers. We prove that every regular language can be recognized exactly by a depth-unrolled ReLU network with shared parameters, independent of input length. Our construction yields not only formal equivalence between NFAs and ReLU networks, but also practical trainability: we demonstrate that the networks can learn NFA acceptance behavior through gradient descent using standard supervised data. Extensive experiments validate all theoretical results, achieving perfect or near-perfect agreement on acceptance, state propagation, and closure dynamics. This work establishes a new bridge between symbolic automata theory and modern neural architectures, showing that feedforward networks can perform precise, interpretable, and trainable symbolic computation.
Authors: Cornelius V. Braun, Sayantan Auddy, Marc Toussaint
Abstract: Being able to solve a task in diverse ways makes agents more robust to task variations and less prone to local optima. In this context, constrained diversity optimization has emerged as a powerful reinforcement learning (RL) framework to train a diverse set of agents in parallel. However, existing constrained-diversity RL methods often under-explore in complex tasks such as robotic manipulation, leading to a lack in policy diversity. To improve diversity optimization in RL, we therefore propose a curriculum that first explores at the trajectory level before learning step-based policies. In our empirical evaluation, we provide novel insights into the shortcoming of skill-based diversity optimization, and demonstrate empirically that our curriculum improves the diversity of the learned skills.
Authors: Vahidullah Ta\c{c}, Amirhossein Amiri-Hezaveh, Manuel K. Rausch, Grace N. Bechtel, Francisco Sahli Costabal, Adrian Buganza Tepole
Abstract: We propose a new framework for identifying mechanical properties of heterogeneous materials without a closed-form constitutive equation. Given a full-field measurement of the displacement field, for instance as obtained from digital image correlation (DIC), a continuous approximation of the strain field is obtained by training a neural network that incorporates Fourier features to effectively capture sharp gradients in the data. A physics-based data-driven method built upon ordinary neural differential equations (NODEs) is employed to discover constitutive equations. The NODE framework can represent arbitrary materials while satisfying constraints in the theory of constitutive equations by default. To account for heterogeneity, a hyper-network is defined, where the input is the material coordinate system, and the output is the NODE-based constitutive equation. The parameters of the hyper-network are optimized by minimizing a multi-objective loss function that includes penalty terms for violations of the strong form of the equilibrium equations of elasticity and the associated Neumann boundary conditions. We showcase the framework with several numerical examples, including heterogeneity arising from variations in material parameters, spatial transitions from isotropy to anisotropy, material identification in the presence of noise, and, ultimately, application to experimental data. As the numerical results suggest, the proposed approach is robust and general in identifying the mechanical properties of heterogeneous materials with very few assumptions, making it a suitable alternative to classical inverse methods.
Authors: Bernardo P. Schaeffer, Ricardo M. S. Rosa, Glauco Valle
Abstract: Sampling in score-based diffusion models can be performed by solving either a reverse-time stochastic differential equation (SDE) parameterized by an arbitrary time-dependent stochasticity parameter or a probability flow ODE, corresponding to the stochasticity parameter set to zero. In this work, we study the effect of this stochasticity on the generation process through bounds on the Kullback-Leibler (KL) divergence, complementing the analysis with numerical and analytical examples. Our main results apply to linear forward SDEs with additive noise and Lipschitz-continuous score functions, and quantify how errors from the prior distribution and score approximation propagate under different choices of the stochasticity parameter. The theoretical bounds are derived using log-Sobolev inequalities for the marginals of the forward process, which enable a more effective control of the KL divergence decay along sampling. For exact score functions, we find that stochasticity acts as an error-correcting mechanism, decreasing KL divergence along the sampling trajectory. For an approximate score function, there is a trade-off between error correction and score error amplification, so that stochasticity can either improve or worsen the performance, depending on the structure of the score error. Numerical experiments on simple datasets and a fully analytical example are included to illustrate and enlighten the theoretical results.
Authors: Vinicius L. S. Silva, Gabriel S. Seabra, Alexandre A. Emerick
Abstract: We propose two new methods based/inspired by machine learning for tabular data and distance-free localization to enhance the covariance estimations in an ensemble data assimilation. The main goal is to enhance the data assimilation results by mitigating loss of variance due to sampling errors. We also analyze the suitability of several machine learning models and the balance between accuracy and computational cost of the covariance estimations. We introduce two distance-free localization techniques leveraging machine learning methods specifically tailored for tabular data. The methods are integrated into the Ensemble Smoother with Multiple Data Assimilation (ES-MDA) framework. The results show that the proposed localizations improve covariance accuracy and enhance data assimilation and uncertainty quantification results. We observe reduced variance loss for the input variables using the proposed methods. Furthermore, we compare several machine learning models, assessing their suitability for the problem in terms of computational cost, and quality of the covariance estimation and data match. The influence of ensemble size is also investigated, providing insights into balancing accuracy and computational efficiency. Our findings demonstrate that certain machine learning models are more suitable for this problem. This study introduces two novel methods that mitigate variance loss for model parameters in ensemble-based data assimilation, offering practical solutions that are easy to implement and do not require any additional numerical simulation or hyperparameter tuning.
Authors: Geonho Hwang, Wonyeol Lee, Yeachan Park, Sejun Park, Feras Saad
Abstract: The classical universal approximation (UA) theorem for neural networks establishes mild conditions under which a feedforward neural network can approximate a continuous function $f$ with arbitrary accuracy. A recent result shows that neural networks also enjoy a more general interval universal approximation (IUA) theorem, in the sense that the abstract interpretation semantics of the network using the interval domain can approximate the direct image map of $f$ (i.e., the result of applying $f$ to a set of inputs) with arbitrary accuracy. These theorems, however, rest on the unrealistic assumption that the neural network computes over infinitely precise real numbers, whereas their software implementations in practice compute over finite-precision floating-point numbers. An open question is whether the IUA theorem still holds in the floating-point setting. This paper introduces the first IUA theorem for floating-point neural networks that proves their remarkable ability to perfectly capture the direct image map of any rounded target function $f$, showing no limits exist on their expressiveness. Our IUA theorem in the floating-point setting exhibits material differences from the real-valued setting, which reflects the fundamental distinctions between these two computational models. This theorem also implies surprising corollaries, which include (i) the existence of provably robust floating-point neural networks; and (ii) the computational completeness of the class of straight-line programs that use only floating-point additions and multiplications for the class of all floating-point programs that halt.
Authors: \c{C}a\u{g}atay Demirel
Abstract: Ensemble learning remains a cornerstone of machine learning, with stacking used to integrate predictions from multiple base learners through a meta-model. However, deep stacking remains rare, as most designs prioritize horizontal diversity over recursive depth due to model complexity, feature redundancy, and computational burden. To address these challenges, RocketStack, a level-aware recursive ensemble framework, is introduced and explored up to ten stacking levels, extending beyond prior architectures. The framework incrementally prunes weaker learners at each level, enabling deeper stacking without excessive complexity. To mitigate early performance saturation, mild Gaussian noise is added to out-of-fold (OOF) scores before pruning, and compared against strict OOF pruning. Further both per-level and periodic feature compressions are explored using attention-based selection, Simple, Fast, Efficient (SFE) filter, and autoencoders. Across 33 datasets (23 binary, 10 multi-class), linear-trend tests confirmed rising accuracy with depth in most variants, and the top performing meta-model at each level increasingly outperformed the strongest standalone ensemble. In the binary subset, periodic SFE with mild OOF-score randomization reached 97.08% at level 10, 5.14% above the strict-pruning configuration and cut runtime by 10.5% relative to no compression. In the multi-class subset, periodic attention selection reached 98.60% at level 10, exceeding the strongest baseline by 6.11%, while reducing runtime by 56.1% and feature dimensionality by 74% compared to no compression. These findings highlight mild randomization as an effective regularizer and periodic compression as a stabilizer. Echoing the design of multistage rockets in aerospace (prune, compress, propel) RocketStack achieves deep recursive ensembling with tractable complexity.
Authors: Patrick Alan Johnson, Gabriel Tseng, Yawen Zhang, Heather Heward, Virginia Sjahli, Favyen Bastani, Joseph Redmon, Patrick Beukema
Abstract: Wildfires are increasing in intensity and severity at an alarming rate. Recent advances in AI and publicly available satellite data enable monitoring critical wildfire risk factors globally, at high resolution and low latency. Live Fuel Moisture Content (LFMC) is a critical wildfire risk factor and is valuable for both wildfire research and operational response. However, ground-based LFMC samples are both labor intensive and costly to acquire, resulting in sparse and infrequent updates. In this work, we explore the use of a pretrained, highly-multimodal earth-observation model for generating large-scale spatially complete (wall-to-wall) LFMC maps. Our approach achieves significant improvements over previous methods using randomly initialized models (20 reduction in RMSE). We provide an automated pipeline that enables rapid generation of these LFMC maps across the United States, and demonstrate its effectiveness in two regions recently impacted by wildfire (Eaton and Palisades).
Authors: Keziah Naggita, Julienne LaChance
Abstract: Following the rise in popularity of data-centric machine learning (ML), various data valuation methods have been proposed to quantify the contribution of each datapoint to desired ML model performance metrics (e.g., accuracy). Beyond the technical applications of data valuation methods (e.g., data cleaning, data acquisition, etc.), it has been suggested that within the context of data markets, data buyers might utilize such methods to fairly compensate data owners. Here we demonstrate that data valuation metrics are inherently biased and unstable under simple algorithmic design choices, resulting in both technical and ethical implications. By analyzing 9 tabular classification datasets and 6 data valuation methods, we illustrate how (1) common and inexpensive data pre-processing techniques can drastically alter estimated data values; (2) subsampling via data valuation metrics may increase class imbalance; and (3) data valuation metrics may undervalue underrepresented group data. Consequently, we argue in favor of increased transparency associated with data valuation in-the-wild and introduce the novel Data Valuation Cards (DValCards) framework towards this aim. The proliferation of DValCards will reduce misuse of data valuation metrics, including in data pricing, and build trust in responsible ML systems.
Authors: Thanh Hoang-Minh
Abstract: Knowledge graphs offer a structured representation of real-world entities and their relationships, enabling a wide range of applications from information retrieval to automated reasoning. In this paper, we conduct a systematic comparison between traditional rule-based approaches and modern deep learning methods for link prediction. We focus on KBGAT, a graph neural network model that leverages multi-head attention to jointly encode both entity and relation features within local neighborhood structures. To advance this line of research, we introduce \textbf{GCAT} (Graph Collaborative Attention Network), a refined model that enhances context aggregation and interaction between heterogeneous nodes. Experimental results on four widely-used benchmark datasets demonstrate that GCAT not only consistently outperforms rule-based methods but also achieves competitive or superior performance compared to existing neural embedding models. Our findings highlight the advantages of attention-based architectures in capturing complex relational patterns for knowledge graph completion tasks.
Authors: Chenyang Song, Weilin Zhao, Xu Han, Chaojun Xiao, Yingfa Chen, Yuxuan Li, Zhiyuan Liu, Maosong Sun
Abstract: To alleviate the computational burden of large language models (LLMs), architectures with activation sparsity, represented by mixture-of-experts (MoE), have attracted increasing attention. However, the non-differentiable and inflexible routing of vanilla MoE hurts model performance. Moreover, while each token activates only a few parameters, these sparsely-activated architectures exhibit low chunk-level sparsity, indicating that the union of multiple consecutive tokens activates a large ratio of parameters. Such a sparsity pattern is unfriendly for acceleration under low-resource conditions (e.g., end-side devices) and incompatible with mainstream acceleration techniques (e.g., speculative decoding). To address these challenges, we introduce a novel MoE architecture, BlockFFN, as well as its efficient training and deployment techniques. Specifically, we use a router integrating ReLU activation and RMSNorm for differentiable and flexible routing. Next, to promote both token-level sparsity (TLS) and chunk-level sparsity (CLS), CLS-aware training objectives are designed, making BlockFFN more acceleration-friendly. Finally, we implement efficient acceleration kernels, combining activation sparsity and speculative decoding for the first time. The experimental results demonstrate the superior performance of BlockFFN over other MoE baselines, achieving over 80% TLS and 70% 8-token CLS. Our kernels achieve up to 3.67$\times$ speedup on real end-side devices than dense models. All codes and checkpoints are available publicly (https://github.com/thunlp/BlockFFN).
Authors: Hiroki Sakamoto, Kazuhiro Sato
Abstract: Deep learning models incorporating linear SSMs have gained attention for capturing long-range dependencies in sequential data. However, their large parameter sizes pose challenges for deployment on resource-constrained devices. In this study, we propose an efficient parameter reduction method for these models by applying $H^{2}$ model order reduction techniques from control theory to their linear SSM components. In experiments, the LRA benchmark results show that the model compression based on our proposed method outperforms an existing method using the Balanced Truncation, while successfully reducing the number of parameters in the SSMs to $1/32$ without sacrificing the performance of the original models.
Authors: George Bird
Abstract: This paper presents a novel methodology for determining representational alignment, which builds upon the existing Spotlight Resonance method. Particularly, this new tool is used to gain insight into how discrete representations can emerge and organise in autoencoder models, through a controlled ablation study in which only the activation function is altered. Using this technique, the validity of whether function-driven symmetries can act as implicit inductive biases on representations is determined. Representations are found to tend to discretise when the activation functions are defined through a discrete algebraic permutation-equivariant symmetry. In contrast, they remain continuous under a continuous algebraic orthogonal-equivariant definition. This confirms the hypothesis: algebraic symmetries of network primitives can carry unintended inductive biases which produce task-independent artefactual structures in representations. The discrete symmetry of contemporary forms is shown to be a strong predictor for the induction of discrete representations transformed from otherwise continuous structures -- a quantisation effect. This motivates further reassessment of functional forms in common usage. Moreover, this supports a general causal model for one mode in which discrete representations may form, and could constitute a prerequisite for downstream interpretability phenomena, including grandmother neurons, discrete coding schemes, general linear features and possibly Superposition. Hence, this tool and proposed mechanism for the influence of functional form on representations may provide insights into emergent interpretability research. Finally, preliminary results indicate that quantisation of representations appears to correlate with a measurable increase in reconstruction error, reinforcing previous conjectures that this collapse can be detrimental.
Authors: Yongyi Yang, Hidenori Tanaka, Wei Hu
Abstract: In-context learning (ICL) enables large language models (LLMs) to acquire new behaviors from the input sequence alone without any parameter updates. Recent studies have shown that ICL can surpass the original meaning learned in pretraining stage through internalizing the structure the data-generating process (DGP) of the prompt into the hidden representations. However, the mechanisms by which LLMs achieve this ability is left open. In this paper, we present the first rigorous explanation of such phenomena by introducing a unified framework of double convergence, where hidden representations converge both over context and across layers. This double convergence process leads to an implicit bias towards smooth (low-frequency) representations, which we prove analytically and verify empirically. Our theory explains several open empirical observations, including why learned representations exhibit globally structured but locally distorted geometry, and why their total energy decays without vanishing. Moreover, our theory predicts that ICL has an intrinsic robustness towards high-frequency noise, which we empirically confirm. These results provide new insights into the underlying mechanisms of ICL, and a theoretical foundation to study it that hopefully extends to more general data distributions and settings.
Authors: Aryana Hou, Li Lin, Justin Li, Shu Hu
Abstract: Generative AI models have substantially improved the realism of synthetic media, yet their misuse through sophisticated DeepFakes poses significant risks. Despite recent advances in deepfake detection, fairness remains inadequately addressed, enabling deepfake markers to exploit biases against specific populations. While previous studies have emphasized group-level fairness, individual fairness (i.e., ensuring similar predictions for similar individuals) remains largely unexplored. In this work, we identify for the first time that the original principle of individual fairness fundamentally fails in the context of deepfake detection, revealing a critical gap previously unexplored in the literature. To mitigate it, we propose the first generalizable framework that can be integrated into existing deepfake detectors to enhance individual fairness and generalization. Extensive experiments conducted on leading deepfake datasets demonstrate that our approach significantly improves individual fairness while maintaining robust detection performance, outperforming state-of-the-art methods. The code is available at https://github.com/Purdue-M2/Individual-Fairness-Deepfake-Detection.
URLs: https://github.com/Purdue-M2/Individual-Fairness-Deepfake-Detection.
Authors: Youssef Allouah, Rachid Guerraoui, Sanmi Koyejo
Abstract: Machine unlearning seeks to remove unwanted information from trained models, initially at the individual-sample level, but increasingly at the level of entire sub-populations. In many deployments, models must delete whole topical domains to satisfy privacy, legal, or quality requirements, e.g., removing several users' posts under GDPR or copyrighted web content. Existing unlearning tools remain largely sample-oriented, and straightforward point deletion often leaves enough residual signal for downstream learners to recover the unwanted domain. We introduce distributional unlearning, a data-centric, model-agnostic framework that asks: Given examples from an unwanted distribution and a retained distribution, what is the smallest set of points whose removal makes the edited dataset far from the unwanted domain yet close to the retained one? Using Kullback-Leibler divergence to quantify removal and preservation, we derive the exact Pareto frontier in the Gaussian case and prove that any model retrained on the edited data incurs log-loss shifts bounded by the divergence thresholds. We propose a simple distance-based selection rule satisfying these constraints with a quadratic reduction in deletion budget compared to random removal. Experiments on synthetic Gaussians, Jigsaw Toxic Comments, SMS spam, and CIFAR-10 show 15-72% fewer deletions than random, with negligible impact on retained performance.
Authors: Yixin Song, Zhenliang Xue, Dongliang Wei, Feiyang Chen, Jianxiang Gao, Junchen Liu, Hangyu Liang, Guangshuo Qin, Chengrong Tian, Bo Wen, Longyu Zhao, Xinrui Zheng, Zeyu Mi, Haibo Chen
Abstract: While frontier large language models (LLMs) continue to push capability boundaries, their deployment remains confined to GPU-powered cloud infrastructure. We challenge this paradigm with SmallThinker, a family of LLMs natively designed - not adapted - for the unique constraints of local devices: weak computational power, limited memory, and slow storage. Unlike traditional approaches that mainly compress existing models built for clouds, we architect SmallThinker from the ground up to thrive within these limitations. Our innovation lies in a deployment-aware architecture that transforms constraints into design principles. First, We introduce a two-level sparse structure combining fine-grained Mixture-of-Experts (MoE) with sparse feed-forward networks, drastically reducing computational demands without sacrificing model capacity. Second, to conquer the I/O bottleneck of slow storage, we design a pre-attention router that enables our co-designed inference engine to prefetch expert parameters from storage while computing attention, effectively hiding storage latency that would otherwise cripple on-device inference. Third, for memory efficiency, we utilize NoPE-RoPE hybrid sparse attention mechanism to slash KV cache requirements. We release SmallThinker-4B-A0.6B and SmallThinker-21B-A3B, which achieve state-of-the-art performance scores and even outperform larger LLMs. Remarkably, our co-designed system mostly eliminates the need for expensive GPU hardware: with Q4_0 quantization, both models exceed 20 tokens/s on ordinary consumer CPUs, while consuming only 1GB and 8GB of memory respectively. SmallThinker is publicly available at hf.co/PowerInfer/SmallThinker-4BA0.6B-Instruct and hf.co/PowerInfer/SmallThinker-21BA3B-Instruct.
Authors: Nguyen Xuan-Vu, Daniel P Armstrong, Zlatko Jon\v{c}ev, Philippe Schwaller
Abstract: Retrosynthesis planning remains a central challenge in molecular discovery due to the vast and complex chemical reaction space. While traditional template-based methods offer tractability, they suffer from poor scalability and limited generalization, and template-free generative approaches risk generating invalid reactions. In this work, we propose TempRe, a generative framework that reformulates template-based approaches as sequence generation, enabling scalable, flexible, and chemically plausible retrosynthesis. We evaluated TempRe across single-step and multi-step retrosynthesis tasks, demonstrating its superiority over both template classification and SMILES-based generation methods. On the PaRoutes multi-step benchmark, TempRe achieves strong top-k route accuracy. Furthermore, we extend TempRe to direct multi-step synthesis route generation, providing a lightweight and efficient alternative to conventional single-step and search-based approaches. These results highlight the potential of template generative modeling as a powerful paradigm in computer-aided synthesis planning.
Authors: Yang Jiao, Kai Yang, Dongjin Song
Abstract: Distributionally Robust Optimization (DRO), which aims to find an optimal decision that minimizes the worst case cost over the ambiguity set of probability distribution, has been widely applied in diverse applications, e.g., network behavior analysis, risk management, etc. However, existing DRO techniques face three key challenges: 1) how to deal with the asynchronous updating in a distributed environment; 2) how to leverage the prior distribution effectively; 3) how to properly adjust the degree of robustness according to different scenarios. To this end, we propose an asynchronous distributed algorithm, named Asynchronous Single-looP alternatIve gRadient projEction (ASPIRE) algorithm with the itErative Active SEt method (EASE) to tackle the federated distributionally robust optimization (FDRO) problem. Furthermore, a new uncertainty set, i.e., constrained D-norm uncertainty set, is developed to effectively leverage the prior distribution and flexibly control the degree of robustness. Finally, our theoretical analysis elucidates that the proposed algorithm is guaranteed to converge and the iteration complexity is also analyzed. Extensive empirical studies on real-world datasets demonstrate that the proposed method can not only achieve fast convergence, and remain robust against data heterogeneity as well as malicious attacks, but also tradeoff robustness with performance.
Authors: Chen Zhang, Qiuchi Li, Dawei Song, Zheyu Ye, Yan Gao, Yan Hu
Abstract: Language model (LM) distillation aims at distilling the knowledge in a large teacher LM to a small student one. As a critical issue facing LM distillation, a superior student often arises from a teacher of a relatively small scale instead of a larger one, especially in the presence of substantial capacity gap between the teacher and student. This issue, often referred to as the \textit{curse of capacity gap}, suggests that there is likely an optimal teacher yielding the best-performing student along the scaling course of the teacher. Consequently, distillation trials on teachers of a wide range of scales are called for to determine the optimal teacher, which becomes computationally intensive in the context of large LMs (LLMs). This paper addresses this critical bottleneck by providing the \textit{law of capacity gap} inducted from a preliminary study on distilling a broad range of small-scale (<3B) LMs, where the optimal teacher consistently scales linearly with the student scale across different model and data scales. By extending the law to LLM distillation on a larger scale (7B), we succeed in obtaining versatile LLMs that outperform a wide array of competitors.
Authors: Nils Bochow, Anna Poltronieri, Martin Rypdal, Niklas Boers
Abstract: Historical records of climate fields are often sparse due to missing measurements, especially before the introduction of large-scale satellite missions. Several statistical and model-based methods have been introduced to fill gaps and reconstruct historical records. Here, we employ a recently introduced deep-learning approach based on Fourier convolutions, trained on numerical climate model output, to reconstruct historical climate fields. Using this approach we are able to realistically reconstruct large and irregular areas of missing data, as well as reconstruct known historical events such as strong El Ni\~no and La Ni\~na with very little given information. Our method outperforms the widely used statistical kriging method as well as other recent machine learning approaches. The model generalizes to higher resolutions than the ones it was trained on and can be used on a variety of climate fields. Moreover, it allows inpainting of masks never seen before during the model training.
Authors: Arun Kumar, Paul Schrater
Abstract: People aptly exhibit general intelligence behaviors through flexible problem-solving and the ability to adapt to novel situations by reusing and applying high-level knowledge acquired over time. In contrast, artificial agents tend to be specialists, lacking such generalist behaviors. To bridge this gap, artificial agents will require understanding and exploiting critical structured knowledge representations. We introduce a metacognitive reasoning framework, Knowledge-Interaction-eXecution (KIX), and argue that interactions with objects, by leveraging a type space, facilitate the learning of transferable interaction concepts and promote generalization. This framework offers a principled approach for integrating knowledge into reinforcement learning and holds promise as an enabler for generalist behaviors in artificial intelligence, robotics, and autonomous systems.
Authors: Brian Liu, Rahul Mazumder
Abstract: We present FAST, an optimization framework for fast additive segmentation. FAST segments piecewise constant shape functions for each feature in a dataset to produce transparent additive models. The framework leverages a novel optimization procedure to fit these models $\sim$2 orders of magnitude faster than existing state-of-the-art methods, such as explainable boosting machines \citep{nori2019interpretml}. We also develop new feature selection algorithms in the FAST framework to fit parsimonious models that perform well. Through experiments and case studies, we show that FAST improves the computational efficiency and interpretability of additive models.
Authors: Tuna Han Salih Meral, Enis Simsar, Federico Tombari, Pinar Yanardag
Abstract: Low-Rank Adaptation (LoRA) has emerged as a powerful and popular technique for personalization, enabling efficient adaptation of pre-trained image generation models for specific tasks without comprehensive retraining. While employing individual pre-trained LoRA models excels at representing single concepts, such as those representing a specific dog or a cat, utilizing multiple LoRA models to capture a variety of concepts in a single image still poses a significant challenge. Existing methods often fall short, primarily because the attention mechanisms within different LoRA models overlap, leading to scenarios where one concept may be completely ignored (e.g., omitting the dog) or where concepts are incorrectly combined (e.g., producing an image of two cats instead of one cat and one dog). We introduce CLoRA, a training-free approach that addresses these limitations by updating the attention maps of multiple LoRA models at test-time, and leveraging the attention maps to create semantic masks for fusing latent representations. This enables the generation of composite images that accurately reflect the characteristics of each LoRA. Our comprehensive qualitative and quantitative evaluations demonstrate that CLoRA significantly outperforms existing methods in multi-concept image generation using LoRAs.
Authors: Wei-Ting Tang, Ankush Chakrabarty, Joel A. Paulson
Abstract: Novelty search (NS) refers to a class of exploration algorithms that seek to uncover diverse system behaviors through simulations or experiments. Such diversity is central to many AI-driven discovery and design tasks, including material and drug development, neural architecture search, and reinforcement learning. However, existing NS methods typically rely on evolutionary strategies and other meta-heuristics that require dense sampling of the input space, making them impractical for expensive black-box systems. In this work, we introduce BEACON, a sample-efficient, Bayesian optimization-inspired approach to NS that is tailored for settings where the input-to-behavior relationship is opaque and costly to evaluate. BEACON models this mapping using multi-output Gaussian processes (MOGPs) and selects new inputs by maximizing a novelty metric computed from posterior samples of the MOGP, effectively balancing the exploration-exploitation trade-off. By leveraging recent advances in posterior sampling and high-dimensional GP modeling, our method remains scalable to large input spaces and datasets. We evaluate BEACON across ten synthetic benchmarks and eight real-world tasks, including the design of diverse materials for clean energy applications. Our results show that BEACON significantly outperforms existing NS baselines, consistently discovering a broader set of behaviors under tight evaluation budgets.
Authors: Pascal J. Sager, Jan M. Deriu, Benjamin F. Grewe, Thilo Stadelmann, Christoph von der Malsburg
Abstract: We introduce the Cooperative Network Architecture (CNA), a model that represents sensory signals using structured, recurrently connected networks of neurons, termed "nets." Nets are dynamically assembled from overlapping net fragments, which are learned based on statistical regularities in sensory input. This architecture offers robustness to noise, deformation, and out-of-distribution data, addressing challenges in current vision systems from a novel perspective. We demonstrate that net fragments can be learned without supervision and flexibly recombined to encode novel patterns, enabling figure completion and resilience to noise. Our findings establish CNA as a promising paradigm for developing neural representations that integrate local feature processing with global structure formation, providing a foundation for future research on invariant object recognition.
Authors: Marc Schmitt
Abstract: The integration of Artificial Intelligence (AI) into corporate strategy has become critical for organizations seeking to maintain a competitive advantage in the digital age. As AI transforms business models, operations, and decision-making, the need for dedicated executive leadership to guide, govern, and orchestrate this transformation becomes increasingly evident. This paper examines emerging future scenarios across three domains: the AI Economy, the AI Organization, and Competition in the Age of AI. These domains reveal environmental, structural, and strategic tensions that existing C-suite roles struggle to resolve. In response, the paper develops a theory-informed framework for the Chief AI Officer (CAIO), outlining the distinct functions and capabilities required to guide and govern AI at scale. Drawing on illustrative cases and emerging practice, this conceptualization clarifies the CAIOs unique role within the executive landscape and presents a forward-looking research agenda. This paper advances the discourse on AI leadership by offering a theory-driven rationale for the strategic integration of AI at the executive level and by positioning the Chief AI Officer as a distinct and necessary role within modern organizations.
Authors: Franck Signe Talla, Edouard Grave, Herv\'e J\'egou
Abstract: We address the problem of extending a pretrained large language model to a new domain that was not seen during training. Standard techniques, such as finetuning or low-rank adaptation (LoRA) are successful at domain adaptation, but do not formally add capacity to the model. This often leads to a trade-off, between performing well on the new domain vs. degrading performance on the original domain. Here, we revisit and improve adapters to extend LLMs from three angles: data, architecture and training procedure, which are advantageously considered jointly. The resulting method, called neutral residues, modifies adapters in a way that leads each new residual block to output near-zeros on the original domain. This solution leads to strong results when adapting a state-of-the-art model originally trained on English to a new language. Neutral residues significantly outperform competing approaches such as finetuning, LoRA or vanilla adapters in terms of the trade-off between learning the new language and not forgetting English.
Authors: Daniela De Canditiis, Fabiano Veglianti
Abstract: The Extreme Learning Machine (ELM) is a growing statistical technique widely applied to regression problems. In essence, ELMs are single-layer neural networks where the hidden layer weights are randomly sampled from a specific distribution, while the output layer weights are learned from the data. Two of the key challenges with this approach are the architecture design, specifically determining the optimal number of neurons in the hidden layer, and the method's sensitivity to the random initialization of hidden layer weights. This paper introduces a new and enhanced learning algorithm for regression tasks, the Effective Non-Random ELM (ENR-ELM), which simplifies the architecture design and eliminates the need for random hidden layer weight selection. The proposed method incorporates concepts from signal processing, such as basis functions and projections, into the ELM framework. We introduce two versions of the ENR-ELM: the approximated ENR-ELM and the incremental ENR-ELM. Experimental results on both synthetic and real datasets demonstrate that our method overcomes the problems of traditional ELM while maintaining comparable predictive performance.
Authors: Wenkun He, Yun Liu, Ruitao Liu, Li Yi
Abstract: Synthesizing realistic human-object interaction motions is a critical problem in VR/AR and human animation. Unlike the commonly studied scenarios involving a single human or hand interacting with one object, we address a more generic multi-body setting with arbitrary numbers of humans, hands, and objects. This complexity introduces significant challenges in synchronizing motions due to the high correlations and mutual influences among bodies. To address these challenges, we introduce SyncDiff, a novel method for multi-body interaction synthesis using a synchronized motion diffusion strategy. SyncDiff employs a single diffusion model to capture the joint distribution of multi-body motions. To enhance motion fidelity, we propose a frequency-domain motion decomposition scheme. Additionally, we introduce a new set of alignment scores to emphasize the synchronization of different body motions. SyncDiff jointly optimizes both data sample likelihood and alignment likelihood through an explicit synchronization strategy. Extensive experiments across four datasets with various multi-body configurations demonstrate the superiority of SyncDiff over existing state-of-the-art motion synthesis methods.
Authors: Haoxiang Gao, Li Zhang, Yu Zhao, Zhou Yang, Jinghan Cao
Abstract: Vision-language models (VLMs) have become a promising approach to enhancing perception and decision-making in autonomous driving. The gap remains in applying VLMs to understand complex scenarios interacting with pedestrians and efficient vehicle deployment. In this paper, we propose a knowledge distillation method that transfers knowledge from large-scale vision-language foundation models to efficient vision networks, and we apply it to pedestrian behavior prediction and scene understanding tasks, achieving promising results in generating more diverse and comprehensive semantic attributes. We also utilize multiple pre-trained models and ensemble techniques to boost the model's performance. We further examined the effectiveness of the model after knowledge distillation; the results show significant metric improvements in open-vocabulary perception and trajectory prediction tasks, which can potentially enhance the end-to-end performance of autonomous driving.
Authors: Christian Tinauer, Maximilian Sackl, Rudolf Stollberger, Reinhold Schmidt, Stefan Ropele, Christian Langkammer
Abstract: Objectives: High classification accuracy of Alzheimer's disease (AD) from structural MRI has been achieved using deep neural networks, yet the specific image features contributing to these decisions remain unclear. In this study, the contributions of T1-weighted (T1w) gray-white matter texture, volumetric information, and preprocessing -- particularly skull-stripping -- were systematically assessed. Methods: A dataset of 990 matched T1w MRIs from AD patients and cognitively normal controls from the ADNI database were used. Preprocessing was varied through skull-stripping and intensity binarization to isolate texture and shape contributions. A 3D convolutional neural network was trained on each configuration, and classification performance was compared using exact McNemar tests with discrete Bonferroni-Holm correction. Feature relevance was analyzed using Layer-wise Relevance Propagation, image similarity metrics, and spectral clustering of relevance maps. Results: Despite substantial differences in image content, classification accuracy, sensitivity, and specificity remained stable across preprocessing conditions. Models trained on binarized images preserved performance, indicating minimal reliance on gray-white matter texture. Instead, volumetric features -- particularly brain contours introduced through skull-stripping -- were consistently used by the models. Conclusions: This behavior reflects a shortcut learning phenomenon, where preprocessing artifacts act as potentially unintended cues. The resulting Clever Hans effect emphasizes the critical importance of interpretability tools to reveal hidden biases and to ensure robust and trustworthy deep learning in medical imaging.
Authors: Kaja Gruntkowska, Hanmin Li, Aadi Rane, Peter Richt\'arik
Abstract: Non-smooth and non-convex global optimization poses significant challenges across various applications, where standard gradient-based methods often struggle. We propose the Ball-Proximal Point Method, Broximal Point Method, or Ball Point Method (BPM) for short - a novel algorithmic framework inspired by the classical Proximal Point Method (PPM) (Rockafellar, 1976), which, as we show, sheds new light on several foundational optimization paradigms and phenomena, including non-convex and non-smooth optimization, acceleration, smoothing, adaptive stepsize selection, and trust-region methods. At the core of BPM lies the ball-proximal ("broximal") operator, which arises from the classical proximal operator by replacing the quadratic distance penalty by a ball constraint. Surprisingly, and in sharp contrast with the sublinear rate of PPM in the nonsmooth convex regime, we prove that BPM converges linearly and in a finite number of steps in the same regime. Furthermore, by introducing the concept of ball-convexity, we prove that BPM retains the same global convergence guarantees under weaker assumptions, making it a powerful tool for a broader class of potentially non-convex optimization problems. Just like PPM plays the role of a conceptual method inspiring the development of practically efficient algorithms and algorithmic elements, e.g., gradient descent, adaptive step sizes, acceleration (Ahn & Sra, 2020), and "W" in AdamW (Zhuang et al., 2022), we believe that BPM should be understood in the same manner: as a blueprint and inspiration for further development.
Authors: Aleksander Ficek, Somshubra Majumdar, Vahid Noroozi, Boris Ginsburg
Abstract: Synthetic verification techniques such as generating test cases and reward modelling are common ways to enhance the coding capabilities of large language models (LLM) beyond predefined tests. Additionally, code verification has recently found great success as a critical component in improving reasoning capability of LLMs via reinforcement learning. In this paper, we propose an approach which can transform existing coding benchmarks into scoring and ranking datasets to evaluate the effectiveness of synthetic verifiers. We also propose multiple metrics to measure different aspects of the synthetic verifiers with the proposed benchmarks. By employing the proposed approach, we release four new benchmarks (HE-R, HE-R+, MBPP-R, and MBPP-R+), and analyzed synthetic verification methods with standard, reasoning-based, and reward-based LLMs. Our experiments show that reasoning can significantly improve test case generation and that scaling the number of test cases enhances the verification accuracy.
Authors: Xiang Xiang, Zhuo Xu, Yao Deng, Qinhao Zhou, Yifan Liang, Ke Chen, Qingfang Zheng, Yaowei Wang, Xilin Chen, Wen Gao
Abstract: The advancement of remote sensing, including satellite systems, facilitates the continuous acquisition of remote sensing imagery globally, introducing novel challenges for achieving open-world tasks. Deployed models need to continuously adjust to a constant influx of new data, which frequently exhibits diverse shifts from the data encountered during the training phase. To effectively handle the new data, models are required to detect semantic shifts, adapt to covariate shifts, and continuously update their parameters without forgetting learned knowledge, as has been considered in works on a variety of open-world tasks. However, existing studies are typically conducted within a single dataset to simulate realistic conditions, with a lack of large-scale benchmarks capable of evaluating multiple open-world tasks. In this paper, we introduce \textbf{OpenEarthSensing (OES)}, a large-scale fine-grained benchmark for open-world remote sensing. OES includes 189 scene and object categories, covering the vast majority of potential semantic shifts that may occur in the real world. Additionally, to provide a more comprehensive testbed for evaluating the generalization performance, OES encompasses five data domains with significant covariate shifts, including two RGB satellite domains, one RGB aerial domain, one multispectral RGB domain, and one infrared domain. We evaluate the baselines and existing methods for diverse tasks on OES, demonstrating that it serves as a meaningful and challenging benchmark for open-world remote sensing. The proposed dataset OES is available at https://haiv-lab.github.io/OES.
Authors: Tingyang Wei, Jiao Liu, Abhishek Gupta, Puay Siew Tan, Yew-Soon Ong
Abstract: Multi-task optimization is typically characterized by a fixed and finite set of tasks. The present paper relaxes this condition by considering a non-fixed and potentially infinite set of optimization tasks defined in a parameterized, continuous and bounded task space. We refer to this unique problem setting as parametric multi-task optimization (PMTO). Assuming the bounds of the task parameters to be ($\boldsymbol{\theta}_l$, $\boldsymbol{\theta}_u$), a novel ($\boldsymbol{\theta}_l$, $\boldsymbol{\theta}_u$)-PMTO algorithm is crafted to operate in two complementary modes. In an offline optimization mode, a joint search over solution and task spaces is carried out with the creation of two approximation models: (1) for mapping points in a unified solution space to the objective spaces of all tasks, which provably accelerates convergence by acting as a conduit for inter-task knowledge transfers, and (2) for probabilistically mapping tasks to their corresponding solutions, which facilitates evolutionary exploration of under-explored regions of the task space. In the online mode, the derived models enable direct optimization of any task within the bounds without the need to search from scratch. This outcome is validated on both synthetic test problems and practical case studies, with the significant real-world applicability of PMTO shown towards fast reconfiguration of robot controllers under changing task conditions. The potential of PMTO to vastly speedup the search for solutions to minimax optimization problems is also demonstrated through an example in robust engineering design.
Authors: Sungwoo Cho, Jeongsoo Choi, Sungnyun Kim, Se-Young Yun
Abstract: Despite recent advances in text-to-speech (TTS) models, audio-visual-to-audio-visual (AV2AV) translation still faces a critical challenge: maintaining speaker consistency between the original and translated vocal and facial features. To address this issue, we propose a conditional flow matching (CFM) zero-shot audio-visual renderer that utilizes strong dual guidance from both audio and visual modalities. By leveraging multimodal guidance with CFM, our model robustly preserves speaker-specific characteristics and enhances zero-shot AV2AV translation abilities. For the audio modality, we enhance the CFM process by integrating robust speaker embeddings with x-vectors, which serve to bolster speaker consistency. Additionally, we convey emotional nuances to the face rendering module. The guidance provided by both audio and visual cues remains independent of semantic or linguistic content, allowing our renderer to effectively handle zero-shot translation tasks for monolingual speakers in different languages. We empirically demonstrate that the inclusion of high-quality mel-spectrograms conditioned on facial information not only enhances the quality of the synthesized speech but also positively influences facial generation, leading to overall performance improvements in LSE and FID score. Our code is available at https://github.com/Peter-SungwooCho/MAVFlow.
Authors: Roie Kazoom, Raz Lapid, Moshe Sipper, Ofer Hadar
Abstract: Adversarial patch attacks pose a major threat to vision systems by embedding localized perturbations that mislead deep models. Traditional defense methods often require retraining or fine-tuning, making them impractical for real-world deployment. We propose a training-free Visual Retrieval-Augmented Generation (VRAG) framework that integrates Vision-Language Models (VLMs) for adversarial patch detection. By retrieving visually similar patches and images that resemble stored attacks in a continuously expanding database, VRAG performs generative reasoning to identify diverse attack types, all without additional training or fine-tuning. We extensively evaluate open-source large-scale VLMs, including Qwen-VL-Plus, Qwen2.5-VL-72B, and UI-TARS-72B-DPO, alongside Gemini-2.0, a closed-source model. Notably, the open-source UI-TARS-72B-DPO model achieves up to 95 percent classification accuracy, setting a new state-of-the-art for open-source adversarial patch detection. Gemini-2.0 attains the highest overall accuracy, 98 percent, but remains closed-source. Experimental results demonstrate VRAG's effectiveness in identifying a variety of adversarial patches with minimal human annotation, paving the way for robust, practical defenses against evolving adversarial patch attacks.
Authors: Georgi Ganev, Meenatchi Sundaram Muthu Selva Annamalai, Sofiane Mahiou, Emiliano De Cristofaro
Abstract: Differentially Private (DP) generative marginal models are often used in the wild to release synthetic tabular datasets in lieu of sensitive data while providing formal privacy guarantees. These models approximate low-dimensional marginals or query workloads; crucially, they require the training data to be pre-discretized, i.e., continuous values need to first be partitioned into bins. However, as the range of values (or their domain) is often inferred directly from the training data, with the number of bins and bin edges typically defined arbitrarily, this approach can ultimately break end-to-end DP guarantees and may not always yield optimal utility. In this paper, we present an extensive measurement study of four discretization strategies in the context of DP marginal generative models. More precisely, we design DP versions of three discretizers (uniform, quantile, and k-means) and reimplement the PrivTree algorithm. We find that optimizing both the choice of discretizer and bin count can improve utility, on average, by almost 30% across six DP marginal models, compared to the default strategy and number of bins, with PrivTree being the best-performing discretizer in the majority of cases. We demonstrate that, while DP generative models with non-private discretization remain vulnerable to membership inference attacks, applying DP during discretization effectively mitigates this risk. Finally, we improve on an existing approach for automatically selecting the optimal number of bins, and achieve high utility while reducing both privacy budget consumption and computational overhead.
Authors: Yasser Benigmim, Mohammad Fahes, Tuan-Hung Vu, Andrei Bursuc, Raoul de Charette
Abstract: In this paper, we challenge the conventional practice in Open-Vocabulary Semantic Segmentation (OVSS) of using averaged class-wise text embeddings, which are typically obtained by encoding each class name with multiple templates (e.g., a photo of
Authors: Bidyarthi Paul, Jalisha Jashim Era, Mirazur Rahman Zim, Tahmid Sattar Aothoi, Faisal Muhammad Shah
Abstract: Solving Bengali Math Word Problems (MWPs) remains a major challenge in natural language processing (NLP) due to the language's low-resource status and the multi-step reasoning required. Existing models struggle with complex Bengali MWPs, largely because no human-annotated Bengali dataset has previously addressed this task. This gap has limited progress in Bengali mathematical reasoning. To address this, we created SOMADHAN, a dataset of 8792 complex Bengali MWPs with manually written, step-by-step solutions. We designed this dataset to support reasoning-focused evaluation and model development in a linguistically underrepresented context. Using SOMADHAN, we evaluated a range of large language models (LLMs) - including GPT-4o, GPT-3.5 Turbo, LLaMA series models, Deepseek, and Qwen - through both zero-shot and few-shot prompting with and without Chain of Thought (CoT) reasoning. CoT prompting consistently improved performance over standard prompting, especially in tasks requiring multi-step logic. LLaMA-3.3 70B achieved the highest accuracy of 88% with few-shot CoT prompting. We also applied Low-Rank Adaptation (LoRA) to fine-tune models efficiently, enabling them to adapt to Bengali MWPs with minimal computational cost. Our work fills a critical gap in Bengali NLP by providing a high-quality reasoning dataset and a scalable framework for solving complex MWPs. We aim to advance equitable research in low-resource languages and enhance reasoning capabilities in educational and language technologies.
Authors: Brian Liu, Rahul Mazumder
Abstract: We present MOSS, a multi-objective optimization framework for constructing stable sets of decision rules. MOSS incorporates three important criteria for interpretability: sparsity, accuracy, and stability, into a single multi-objective optimization framework. Importantly, MOSS allows a practitioner to rapidly evaluate the trade-off between accuracy and stability in sparse rule sets in order to select an appropriate model. We develop a specialized cutting plane algorithm in our framework to rapidly compute the Pareto frontier between these two objectives, and our algorithm scales to problem instances beyond the capabilities of commercial optimization solvers. Our experiments show that MOSS outperforms state-of-the-art rule ensembles in terms of both predictive performance and stability.
Authors: Amedeo Buonanno, Alessandro Rivetti, Francesco A. N. Palmieri, Giovanni Di Gennaro, Gianmarco Romano
Abstract: This work explores entropy analysis as a tool for probing information distribution within Transformer-based architectures. By quantifying token-level uncertainty and examining entropy patterns across different stages of processing, we aim to investigate how information is managed and transformed within these models. As a case study, we apply the methodology to a GPT-based large language model, illustrating its potential to reveal insights into model behavior and internal representations. This approach may offer insights into model behavior and contribute to the development of interpretability and evaluation frameworks for transformer-based models
Authors: Yuzhang Xie, Xu Han, Ran Xu, Xiao Hu, Jiaying Lu, Carl Yang
Abstract: Knowledge graphs (KGs) are important products of the semantic web, which are widely used in various application domains. Healthcare is one of such domains where KGs are intensively used, due to the high requirement for knowledge accuracy and interconnected nature of healthcare data. However, KGs storing general factual information often lack the ability to account for important contexts of the knowledge such as the status of specific patients, which are crucial in precision healthcare. Meanwhile, electronic health records (EHRs) provide rich personal data, including various diagnoses and medications, which provide natural contexts for general KGs. In this paper, we propose HypKG, a framework that integrates patient information from EHRs into KGs to generate contextualized knowledge representations for accurate healthcare predictions. Using advanced entity-linking techniques, we connect relevant knowledge from general KGs with patient information from EHRs, and then utilize a hypergraph model to "contextualize" the knowledge with the patient information. Finally, we employ hypergraph transformers guided by downstream prediction tasks to jointly learn proper contextualized representations for both KGs and patients, fully leveraging existing knowledge in KGs and patient contexts in EHRs. In experiments using a large biomedical KG and two real-world EHR datasets, HypKG demonstrates significant improvements in healthcare prediction tasks across multiple evaluation metrics. Additionally, by integrating external contexts, HypKG can learn to adjust the representations of entities and relations in KG, potentially improving the quality and real-world utility of knowledge.
Authors: Supawich Sitdhipol, Waritwong Sukprasongdee, Ekapol Chuangsuwanich, Rina Tse
Abstract: Fusing information from human observations can help robots overcome sensing limitations in collaborative tasks. However, an uncertainty-aware fusion framework requires a grounded likelihood representing the uncertainty of human inputs. This paper presents a Feature Pyramid Likelihood Grounding Network (FP-LGN) that grounds spatial language by learning relevant map image features and their relationships with spatial relation semantics. The model is trained as a probability estimator to capture aleatoric uncertainty in human language using three-stage curriculum learning. Results showed that FP-LGN matched expert-designed rules in mean Negative Log-Likelihood (NLL) and demonstrated greater robustness with lower standard deviation. Collaborative sensing results demonstrated that the grounded likelihood successfully enabled uncertainty-aware fusion of heterogeneous human language observations and robot sensor measurements, achieving significant improvements in human-robot collaborative task performance.
Authors: Likun Tan, Kuan-Wei Huang, Kevin Wu
Abstract: Hallucinations in large language models pose a critical challenge for applications requiring factual reliability, particularly in high-stakes domains such as finance. This work presents an effective approach for detecting and editing factually incorrect content in model-generated responses based on the provided context. Given a user-defined domain-specific error taxonomy, we construct a synthetic dataset by inserting tagged errors into financial question-answering corpora and then fine-tune four language models, Phi-4, Phi-4-mini, Qwen3-4B, and Qwen3-14B, to detect and edit these factual inaccuracies. Our best-performing model, fine-tuned Phi-4, achieves an 8% improvement in binary F1 score and a 30% gain in overall detection performance compared to OpenAI-o3. Notably, our fine-tuned Phi-4-mini model, despite having only 4 billion parameters, maintains competitive performance with just a 2% drop in binary detection and a 0.1% decline in overall detection compared to OpenAI-o3. Our work provides a practical solution for detecting and editing factual inconsistencies in financial text generation while introducing a generalizable framework that can enhance the trustworthiness and alignment of large language models across diverse applications beyond finance. Our code and data are available at https://github.com/pegasi-ai/shield.
Authors: Stefanos Gkikas, Ioannis Kyprakis, Manolis Tsiknakis
Abstract: Pain is a complex condition affecting a large portion of the population. Accurate and consistent evaluation is essential for individuals experiencing pain, and it supports the development of effective and advanced management strategies. Automatic pain assessment systems provide continuous monitoring and support clinical decision-making, aiming to reduce distress and prevent functional decline. This study has been submitted to the \textit{Second Multimodal Sensing Grand Challenge for Next-Gen Pain Assessment (AI4PAIN)}. The proposed method introduces a pipeline that leverages respiration as the input signal and incorporates a highly efficient cross-attention transformer alongside a multi-windowing strategy. Extensive experiments demonstrate that respiration is a valuable physiological modality for pain assessment. Moreover, experiments revealed that compact and efficient models, when properly optimized, can achieve strong performance, often surpassing larger counterparts. The proposed multi-window approach effectively captures both short-term and long-term features, as well as global characteristics, thereby enhancing the model's representational capacity.